diff --git "a/src/for_experiments_prediction/v3.1.0/base/predicted_vs_gt.json" "b/src/for_experiments_prediction/v3.1.0/base/predicted_vs_gt.json"
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@@ -0,0 +1,4465 @@
+{
+ "wiley": {
+ "10.1002_adfm.201808872": [
+ {
+ "id": 0,
+ "sac_id": "Atom: Ni\nSupport Material: N-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: N-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: ZIF-8 was prepared according to the reported method. [1] Typically, 2 mmol of Zn(NO3)2\u00b76H2O and 40 mmol of 2-methylimidazole were dissolved in 50 mL of methanol, respectively. Then, the Zn(NO3)2 solution was added into the MeIM solution under stirring. The mixed solution was then stirred at room temperature for 4 h followed by centrifugation and washed with methanol three times. The obtained precipitates were dried at 70 \u00b0C overnight in a vacuum oven.\n\nSynthesis of N-C: As-synthesized ZIF-8 precursors were heated at 1100 \u00b0C for 1 h in a tube furnace with a heating rate of 5 \u00b0C min -1 under flowing Ar gas (300 mL min -1 ). After cooling to room temperature naturally, the N-C material was obtained.",
+ "ground_truth": "Precursor synthesis: Ni(NO3)2\u00b76H2O was used as the metal precursor.\nSAC synthesis: The synthesis procedure is similar to that of Fe-Nx-C, with the following modifications: Ni(NO3)2\u00b76H2O (0.44 g) and 1,10-phenanthroline monohydrate (0.76 g) were dissolved in 120 mL methanol and stirred for 0.5 h. Then, 4.76 g of Zn(NO3)2\u00b76H2O was added. The mixture was stirred for another 1 h and then added into a methanol solution containing 5.26 g of 2-methylimidazole under vigorously stirring. After hydrothermal treatments at 120 \u00b0C for 4 h, the precipitates were collected by centrifugation at 8000 rpm, washed three times with dimethylformamide (DMF) and twice with methanol, and dried at 80 \u00b0C in vacuum overnight. The collected samples were pyrolyzed in a tube furnace at 900 \u00b0C for 3 h under flowing argon. The as-prepared samples were denoted as Ni-Nx-C and used for further characterization without any post-treatments."
+ },
+ {
+ "id": 1,
+ "sac_id": "Atom: Co\nSupport Material: N-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: N-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: Zn(NO3)2\u00b76H2O (5.58 g) was dissolved in 150 mL methanol as solution A. 2-methylimidazole (6.16 g) was dissolved in 150 mL methanol as solution B. Solution B was added dropwise to solution A with vigorous stirring at room temperature for 24 h. The precipitate was collected by centrifugation and washed with methanol three times. The product was then dried in a vacuum oven at 60 \u00b0C overnight. ZIF-8 powder was placed in a tube furnace and heated to 900 \u00b0C with a heating rate of 5 \u00b0C min^-1 and kept for 3 h under flowing Ar gas. The obtained black powder was ground to a fine powder and used as the cathode material of a solid-state supercapacitor. The specific capacity of ZIF-8@C is 171.4 mAh g^-1.\nSupercapacitor electrode synthesis: Typically, 80 mg ZIF-8@C, 20 mg Super P, and 20 mg pristine graphene were mixed with NMP solvent and sonicated for 30 min to form a slurry. The slurry was coated onto a polyethylene terephthalate (PET) film by doctor blade method with an active mass loading of 1 mg cm^-2. The wet film was transferred into a vacuum oven at 60 \u00b0C for further drying. The freestanding electrode film was cut into desired size and used as working electrode to assemble a CR2032 coin cell with a celgard 2400 separator and 0.5 M KCl electrolyte.",
+ "ground_truth": "Precursor synthesis: Co(OAc)2\u00b74H2O was used as the metal precursor.\nSAC synthesis: The synthesis procedure is similar to that of Fe-Nx-C, with the following modifications: Co(OAc)2\u00b74H2O (0.44 g) and 1,10-phenanthroline monohydrate (0.76 g) were dissolved in 120 mL methanol and stirred for 0.5 h. Then, 4.76 g of Zn(NO3)2\u00b76H2O was added. The mixture was stirred for another 1 h and then added into a methanol solution containing 5.26 g of 2-methylimidazole under vigorously stirring. After hydrothermal treatments at 120 \u00b0C for 4 h, the precipitates were collected by centrifugation at 8000 rpm, washed three times with dimethylformamide (DMF) and twice with methanol, and dried at 80 \u00b0C in vacuum overnight. The collected samples were pyrolyzed in a tube furnace at 900 \u00b0C for 3 h under flowing argon. The as-prepared samples were denoted as Co-Nx-C and used for further characterization without any post-treatments."
+ },
+ {
+ "id": 2,
+ "sac_id": "Atom: Fe\nSupport Material: N-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: N-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: ZIF-8 was prepared according to the reported method. [1] Typically, 2 mmol of Zn(NO3)2\u00b76H2O and 40 mmol of 2-methylimidazole were dissolved in 50 mL of methanol, respectively. Then, the above two solutions were mixed stirring in methanol for 1 h at room temperature. After one hour, the precipitate was obtained by centrifugation and washed with methanol three times. Finally, the product was dried under vacuum at 70 \u00b0C overnight.\n\nFe-ZIF-8 was synthesized using the same procedure as ZIF-8 except that the amount of FeCl2 was added into the above solution.\n\nSynthesis of Fe/N-C: The Fe/N-C sample was prepared via a pyrolysis process. First, the mixture powder of Fe-ZIF-8 and ZIF-8 (mass ratio is 1:9) was placed in a tube furnace. Then, the mixture was heated from room temperature to 900 \u00b0C at a heating rate of 5 \u00b0C min -1 and kept at this temperature for 3 h under flowing argon gas. After cooling down to room temperature, the black powder was taken out and soaked in 0.5 m H2SO4 at 80 \u00b0C for 8 h to remove metal particles. Finally, the sample was centrifuged and washed with deionized water until reaching pH 7. The sample was dried under vacuum at 70 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: FeSO4 and Phen as the non-noble metal and the organic ligand were firstly used to synthesize Fe-Phen complexes at room temperature, which could supply both Fe2+ and Phen simultaneously.\nSAC synthesis: Then Fe-Phen species were encapsulated in the nanocages during the growth of ZIF-8. After pyrolysis at 900 \u00b0C under argon atmosphere, isolated single-atom Fe-Nx-C catalyst was obtained. Typically, FeSO4\u00b77H2O (0.44 g) and 1,10-phenanthroline monohydrate (0.76 g) were dissolved in 120 mL methanol and stirred for 0.5 h. Then, 4.76 g of Zn(NO3)2\u00b76H2O was added. The mixture was stirred for another 1 h and then added into a methanol solution containing 5.26 g of 2-methylimidazole under vigorously stirring. After hydrothermal treatments at 120 \u00b0C for 4 h, the precipitates were collected by centrifugation at 8000 rpm, washed three times with dimethylformamide (DMF) and twice with methanol, and dried at 80 \u00b0C in vacuum overnight. The collected samples were pyrolyzed in a tube furnace at 900 \u00b0C for 3 h under flowing argon. The as-prepared samples were denoted as Fe-Nx-C and used for further characterization without any post-treatments."
+ },
+ {
+ "id": 3,
+ "sac_id": "Atom: Cu\nSupport Material: N-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: N-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: Zn(NO3)2\u00b76H2O (5.58 g) was dissolved in 150 mL methanol as solution A. 2-methylimidazole (6.16 g) was dissolved in 150 mL methanol as solution B. Solution B was added dropwise to solution A with vigorous stirring at room temperature for 24 h. The precipitate was collected by centrifugation and washed with methanol three times. The product was then dried in a vacuum oven at 60 \u00b0C overnight. ZIF-8 powder was placed in a tube furnace and heated to 900 \u00b0C with a heating rate of 5 \u00b0C min-1 and kept for 3 h under flowing argon gas. The obtained black powder was ground and served as the N-C sample without any further treatment. Synthesis of Cu/N-C materials: 100 mg N-C powder was dispersed in 50 mL ethanol and sonicated for 1 h. 100 \u03bcL CuCl2\u00b72H2O ethanol solution (10 mg mL-1) was added dropwise into the above solution under vigorous stirring. The mixture was stirred continuously for another 24 h. After that, the mixture was concentrated and dried by rotary evaporation. The obtained powder was ground and annealed at 350 \u00b0C for 2 h with a heating rate of 5 \u00b0C min-1 and kept for 2 h under flowing argon gas. The obtained material was served as Cu/N-C-1. Other Cu/N-C materials were prepared by varying the amount of CuCl2\u00b72H2O ethanol solution from 50 \u03bcL to 1 mL. The corresponding Cu/N-C materials were denoted as Cu/N-C-2, Cu/N-C-3, Cu/N-C-4, and Cu/N-C-5.",
+ "ground_truth": "Precursor synthesis: CuCl2\u00b72H2O was used as the metal precursor.\nSAC synthesis: The synthesis procedure is similar to that of Fe-Nx-C, with the following modifications: CuCl2\u00b72H2O (0.44 g) and 1,10-phenanthroline monohydrate (0.76 g) were dissolved in 120 mL methanol and stirred for 0.5 h. Then, 4.76 g of Zn(NO3)2\u00b76H2O was added. The mixture was stirred for another 1 h and then added into a methanol solution containing 5.26 g of 2-methylimidazole under vigorously stirring. After hydrothermal treatments at 120 \u00b0C for 4 h, the precipitates were collected by centrifugation at 8000 rpm, washed three times with dimethylformamide (DMF) and twice with methanol, and dried at 80 \u00b0C in vacuum overnight. The collected samples were pyrolyzed in a tube furnace at 900 \u00b0C for 3 h under flowing argon. The as-prepared samples were denoted as Cu-Nx-C and used for further characterization without any post-treatments."
+ }
+ ],
+ "10.1002_adma.201907436": [
+ {
+ "id": 4,
+ "sac_id": "Atom: Fe\nSupport Material: N,S-codoped holey graphene (N,S-HG)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: N,S-codoped holey graphene (N,S-HG)\n\n",
+ "predicted": "Precursor synthesis: Hemin chloride (He3Cl), L-cysteine (Cys), and glucose were used as precursors.\nSynthesis of N,S-HG/Fe: In a typical synthesis, 10 mg hemin chloride, 250 mg L-cysteine, 600 mg glucose, and 4 mL H2O was added into the PTFE tank. The mixture was frozen in liquid nitrogen for 15 min, followed by sonicating for 1 h, and freeze-drying for 72 h. Next, the dried powder was pyrolyzed at 800 \u00b0C for 2 h under Ar atmosphere with a ramping rate of 5 \u00b0C min -1. Then, the sample was pyrolyzed again at 800 \u00b0C for 1 h under vacuum (10 -4 Pa) with a ramping rate of 5 \u00b0C min -1.",
+ "ground_truth": "Precursor synthesis: The preparation of pristine holey graphene (PHG) was achieved by annealing the raw materials (Vor-X from Vorbeck Materials; grade: reduced 070; lot: BK-77x) in air at 430 \u00b0C for 10 h according to a published method. A slightly oxidizing environment was identified to afford HGO for well dispersion in solutions. Briefly, 0.3 g of PHG and 0.1 g of sodium nitrate were added to concentrated sulfuric acid (50 mL) under stirring at 0 \u00b0C. Thereafter, 0.3 g of potassium permanganate was added slowly under vigorous agitation, and the reaction system was maintained at 20 \u00b0C for ca. 30 min. Then, deionized water (40 mL) was added carefully to the solution mixture, and the resultant solution was stirred for 15 min at 60 \u00b0C. An additional 200 mL of water was added followed by a slow addition of 5 mL of H2O2 (30 wt %). The HGO product was collected by filtration and washed with HCl aqueous solution (10% in volume, 100 mL), and abundant deionized water in sequence. Finally, the obtained sample was lyophilized to prevent the aggregation of HGO sheets during the drying process.\n\nSAC synthesis: The typical procedure is shown in Scheme 1; firstly, 1 mmol ferric chloride (FeCl3) and 5 mmol 1,10-phenanthroline were dissolved in 10 mL of ethanol and deionized water (V/V = 1:1) solution. The above solution was then added to a deionized water suspension (50 mL) containing 50 mg of dispersed HGO. Subsequently, 10 mmol potassium thiocyanate (KSCN) in 5 mL deionized water was added to the above mixture. The resulting system was treated by ultrasound (Fisher Scientific, FS 30) in a water bath with a frequency of 42 kHz for around 1 h. The formed dark red suspension was stirred at room temperature for ca. 20 h and the precursor powder was collected by filtration. The sample was lyophilized and subsequently annealed at 900 \u00b0C with a ramp rate of 20 \u00b0C min-1 for 1 h under Ar/NH3 (with the volume ratio of 3:1) atmosphere. The sample was then treated with sulfuric acid (0.5 M) at 80 \u00b0C for 12 h to remove iron sulfide impurities. The resulting Fe-ISA/N,S-HG sample was collected through filtration, followed by washing several times with deionized water, and then lyophilized."
+ }
+ ],
+ "10.1002_anie.201914867": [
+ {
+ "id": 5,
+ "sac_id": "Atom: Ir\nSupport Material: FeOx\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ir\nSupport Material: FeOx\n\n",
+ "predicted": "Precursor synthesis: The Fe-M1/C catalysts were prepared by a simple impregnation-calcination method. In a typical synthesis, 0.25 g of FeCl3 was first dissolved in 20 mL of deionized water, and then 0.25 g of carbon black was added under ultrasonic conditions until a uniform suspension was obtained. After stirring at room temperature for 6 h, the mixture was dried at 80 \u00b0C overnight. Next, the dried powder was calcined at 700 \u00b0C for 4 h with a heating rate of 5 \u00b0C min -1 in air. To prepare the Fe-M1/C with different M (M = Ru, Os, and Ir) loadings, the corresponding metal precursors (H2(RuCl6)/IrCl4/OsCl3) were dissolved in 10 mL of deionized water, and then added dropwise to 200 mg of previously prepared Ru/C in a beaker containing 10 mL of ethanol under ultrasonic conditions.\nCatalyst synthesis: The Fe-M1/C catalysts were prepared by a simple impregnation-calcination method. In a typical synthesis, 0.25 g of FeCl3 was first dissolved in 20 mL of deionized water, and then 0.25 g of carbon black was added under ultrasonic conditions until a uniform suspension was obtained. After stirring at room temperature for 6 h, the mixture was dried at 80 \u00b0C overnight. Then, the dried powder was calcined at 700 \u00b0C for 4 h with a heating rate of 5 \u00b0C min -1 in air.",
+ "ground_truth": "Precursor synthesis: Not explicitly provided in the text.\nSAC synthesis: The Ir1/FeOx single atom catalyst (SAC) was prepared by co-precipitation methods according to the previous study. The loading of Ir was around 0.2 wt% determined by inductively coupled plasma spectrometry (ICP-AES). The as-synthesized sample was considered as Ir1/FeOx SAC without oxygen vacancy while the one that was reduced at 250\u00b0C in H2 atmosphere was denoted as Ir1/FeOx SAC without oxygen vacancy."
+ }
+ ],
+ "10.1002_cnma.202000223": [
+ {
+ "id": 6,
+ "sac_id": "Atom: Ni\nSupport Material: Nitrogen-doped graphene (N-G)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Nitrogen-doped graphene (N-G)\n\n",
+ "predicted": "Precursor synthesis: The nitrogen source was added to the graphene dispersed in ethanol under ultrasonication for 30 min. The mixture was then subjected to mechanical exfoliation using a household blender for 1 h. The resulting suspension was freeze-dried to obtain N-G powder, which was then transferred into a tube furnace heated at 750 \u00b0C for 2 h with a ramp rate of 5 \u00b0C/min under Ar atmosphere.\nMetal coordination: The as-prepared N-G powder was dispersed in deionized water and sonicated for 30 min. Nickel chloride hexahydrate solution was added dropwise to the solution followed by stirring for 6 h.\nMetal oxide nanoparticle formation: The metal-coordinated N-G powder was collected by centrifugation and dried overnight at 80 \u00b0C. The obtained powder was calcinated at 900 \u00b0C for 2 h with a ramp rate of 5 \u00b0C/min under air atmosphere.",
+ "ground_truth": "Precursor synthesis: Urea (100 g) was heated at 600 \u00b0C (ramp rate, 5 \u00b0C/min) in air for 2 h in a covered alumina crucible placed inside a muffle furnace, forming g-C3N4. The alumina crucible was sealed with alumina foil in order to increase the yield of g-C3N4 and the annealing process was carried in the fume cardboard to ventilate the smoke produced.\nSAC synthesis: Ni(acac)2 was dissolved into ethanol and acetone (with volume ratio of 4:1) solution, followed by the addition of g-C3N4 powder, grinding to complete dry. The Ni(acac)2 to g-C3N4 molar ratio was kept constant at 1:55. The as-prepared powder was yellowish in color. The powder was heated to 660 \u00b0C at a ramp rate of 7 \u00b0C per min and kept for 1 h under Ar at a flow rate of 50 mL/min. After cooling down to room temperature, the powder was successively leached at 70 \u00b0C in 2 M HCl for 12 h to remove Ni nanoparticles or clusters. The intermediate product was dried at 80 \u00b0C for 10 h, denoted as g-C3N4-Ni. The powder was annealed again at 800 \u00b0C in Ar for 1 h at a ramp rate of 10 \u00b0C per min. The final product was denoted as NiSA-N-CNT."
+ },
+ {
+ "id": 7,
+ "sac_id": "Atom: Ni\nSupport Material: Nitrogen-doped carbon nanotubes (N-CNT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Nitrogen-doped carbon nanotubes (N-CNT)\n\n",
+ "predicted": "Precursor synthesis: The Ni(NO3)2\u00b76H2O and melamine precursors were dissolved in ethanol.\nSynthesis: The solution was stirred at 70 \u00b0C for 24 h to form a stable suspension of Ni-MOF. After cooling, the suspension was centrifuged, and the obtained solid powder was dried at 80 \u00b0C overnight. The dried powder was then calcined at 900 \u00b0C under an Ar flow with a heating rate of 5 \u00b0C min^-1 for 2 h. The obtained product was named as Ni@NiNCNT.\nCharacterization: SEM, XRD, Raman spectroscopy, and XPS were used to characterize the samples.",
+ "ground_truth": "Precursor synthesis: Urea (100 g) was heated at 600 \u00b0C (ramp rate, 5 \u00b0C/min) in air for 2 h in a covered alumina crucible placed inside a muffle furnace, forming g-C3N4. The alumina crucible was sealed with alumina foil in order to increase the yield of g-C3N4 and the annealing process was carried in the fume cardboard to ventilate the smoke produced.\nSAC synthesis: Ni(acac)2 was dissolved into ethanol and acetone (with volume ratio of 4:1) solution, followed by the addition of g-C3N4 powder, grinding to complete dry. The Ni(acac)2 to g-C3N4 molar ratio was kept constant at 1:55. The as-prepared powder was yellowish in color. The powder was heated to 660 \u00b0C at a ramp rate of 7 \u00b0C per min and kept for 1 h under Ar at a flow rate of 50 mL/min. After cooling down to room temperature, the powder was successively leached at 70 \u00b0C in 2 M HCl for 12 h to remove Ni nanoparticles or clusters. The intermediate product was dried at 80 \u00b0C for 10 h, denoted as g-C3N4-Ni. The powder was annealed again at 800 \u00b0C in Ar for 1 h at a ramp rate of 10 \u00b0C per min. The final product was denoted as NiSA-N-CNT."
+ }
+ ],
+ "10.1002_smll.202003943": [
+ {
+ "id": 8,
+ "sac_id": "Atom: Ni\nSupport Material: Solid Mesoporous Carbon Spheres (SMCS)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Solid Mesoporous Carbon Spheres (SMCS)\n\n",
+ "predicted": "Precursor synthesis: 0.5 g of Pluronic P123 and 48 mL of 0.067 M Ni(NO3)2\u00b76H2O were mixed under stirring until a clear solution was formed. This solution was transferred into a Teflon-lined stainless steel autoclave with a volume of 100 mL, which was then sealed and incubated at 190 \u00b0C for 24 h. The resulting product was centrifuged and washed with ethanol and water several times before being dried in vacuum at 60 \u00b0C for 12 h.\nSMCS synthesis: 1.0 g of as-prepared Ni-MOF and 0.5 g of trimesic acid were dispersed in 20 mL of water under sonication for 1 h. Afterwards, the suspension was heated to 100 \u00b0C in an oil bath and kept at this temperature for 24 h. After cooling down to room temperature, the black precipitate was centrifuged and washed with water before being dried in vacuum at 60 \u00b0C overnight.\nPyrolysis: The as-prepared sample was placed in a tube furnace and heated from room temperature to 900 \u00b0C at a rate of 5 \u00b0C min^-1 and kept at this temperature for 3 h under Ar flow. After cooling down to room temperature, the black powder was leached in 0.5 M H2SO4 solution at 80 \u00b0C for 24 h to remove metal species.",
+ "ground_truth": "Precursor synthesis: Similar to the synthesis of Ni/HMCS-1, Ni/HMCS-3 was obtained by changing the concentration of dopamine solution (2.5 mg mL-1) and Ni contained dopamine solution (DA = 2.5 mg mL-1, Ni = 31.25 \u00b5g mL-1). By adjusting the calcination temperature from 700 to 900 \u00b0C, the obtained samples were named as Ni/HMCS-3-700, Ni/HMCS-3-800, and Ni/HMCS-3-900. The Ni/HMCS-3-800-FD was obtained following the synthetic process of Ni/HMCS-3-800 just advanced freeze-dried the Ni/SiO2@PDA precursor before calcination.\nSAC synthesis: The obtained powder was etched by 1 mol L-1 NaOH at 70 \u00b0C for 24 h to remove SiO2, then washed several times with water and denoted as Ni/HMCS-3-800."
+ },
+ {
+ "id": 9,
+ "sac_id": "Atom: Ni\nSupport Material: Hollow Mesoporous Carbon Spheres (HMCS)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Hollow Mesoporous Carbon Spheres (HMCS)\n\n",
+ "predicted": "Precursor synthesis: The HMCS was prepared by a similar procedure as that of samples A and B but without the addition of F127. 0.8 g of Pluronic F127 and 3.5 g of NaCl were dissolved in 40 ml deionized water to form solution I. 1.6 g of TEOS, 1.6 g of F127 and 40 ml of deionized water were added into a three-necked flask to form solution II. After stirring for 1 h at room temperature, solution I was added into solution II followed by stirring for another 1 h. The final mixture was transferred into a Teflon-lined stainless steel autoclave and heated at 100 \u2103 for 24 h. The white precipitate was collected by centrifugation and washed with ethanol and water several times. The obtained product was dried at 60 \u2103 under vacuum overnight.\n\nNi-based catalyst synthesis: 100 mg of as-prepared HMCS precursors were dispersed in 20 mL of deionized water containing 0.192 g (NH4)2Ce(NO3)6 and 0.24 g Ni(NO3)2\u00b76H2O. The mixture was stirred for 1 hour at room temperature, then dried at 60 \u00b0C overnight. The obtained powder was calcined at 800 \u00b0C for 2 hours in a tube furnace with a ramp rate of 5 \u00b0C min -1 under flowing Ar atmosphere. After cooling down to room temperature naturally, the sample was leached in 2 M H2SO4 solution at 80 \u00b0C for 12h. The samples were dried at 60 \u00b0C under vacuum overnight to obtain the final CeNiO2/HMCS products.",
+ "ground_truth": "Precursor synthesis: Similar to the synthesis of Ni/HMCS-1, Ni/HMCS-3 was obtained by changing the concentration of dopamine solution (2.5 mg mL-1) and Ni contained dopamine solution (DA = 2.5 mg mL-1, Ni = 31.25 \u00b5g mL-1). By adjusting the calcination temperature from 700 to 900 \u00b0C, the obtained samples were named as Ni/HMCS-3-700, Ni/HMCS-3-800, and Ni/HMCS-3-900. The Ni/HMCS-3-800-FD was obtained following the synthetic process of Ni/HMCS-3-800 just advanced freeze-dried the Ni/SiO2@PDA precursor before calcination.\nSAC synthesis: The obtained powder was etched by 1 mol L-1 NaOH at 70 \u00b0C for 24 h to remove SiO2, then washed several times with water and denoted as Ni/HMCS-3-800."
+ }
+ ],
+ "10.1002_anie.201911995": [
+ {
+ "id": 10,
+ "sac_id": "Atom: Ni\nSupport Material: Carbon nanotubes (CNTs)\nSynthesis Method: Solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Carbon nanotubes (CNTs)\n\n",
+ "predicted": "Precursor synthesis: The single-atom Ni sites were anchored on the surface of carbon nanotubes (CNTs) by a simple ligand-assisted method. The CNTs were functionalized with oxygen-containing groups, which facilitated the coordination of nickel ions to the oxygen atoms and the formation of stable metal-ligand complexes.\n\nSynthesis: The metal-ligand complexes were then reduced in the presence of a catalyst to form the single-atom Ni sites on the CNTs. The reaction was carried out under mild conditions to prevent the aggregation of metal atoms.\n\nCharacterization: The final catalysts were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), and in situ X-ray absorption spectroscopy (XAS). XRD confirmed the absence of any metallic Ni phases. TEM showed the single-atom Ni sites were uniformly distributed on the CNTs. In situ XAS revealed the coordination environment of Ni atoms and their interaction with the CNTs.\n\nElectrocatalytic activity test: The single-atom Ni sites on CNTs were evaluated as electrocatalysts for the hydrogen evolution reaction (HER). The catalysts exhibited high catalytic activity and stability, with a low overpotential and excellent durability.",
+ "ground_truth": "Precursor synthesis: The product (Ni-TAPc) was successively leached at 120 8 8 C in 1 m HCl and 1 m NaOH for 2 hours each to remove reactants and byproducts. The obtained product (0.1 g) and Na2S\u00b79H2O (0.1 g) were added to a 50 mL flask filled with N, N-dimethylformamide (DMF, 15 mL) at 60 8 8 C for 2 hours. The resultant solution was poured into H2O (150 mL) and washed twice with CCl4. Ni-TAPc was finally obtained after drying under vacuum.\nSAC synthesis: In a typical synthesis of Ni-CNT-CONH, CNTs (1 g) were added to a solution comprising SOCl2 (50 mL) and DMF (8 mL), and stirred for 2 hours at 70 8 8 C. The CNTs were then washed with tetrahydrofuran (THF) and dried under vacuum. Subsequently, the treated CNTs (300 mg) and Ni-TAPc (30 mg) were added to DMF (30 mL) and stirred for 96 hours at 70 8 8 C. Finally, the product was washed with ethanol and collected by freeze-drying."
+ },
+ {
+ "id": 11,
+ "sac_id": "Atom: Ni\nSupport Material: Carbon nanotubes (CNTs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Carbon nanotubes (CNTs)\n\n",
+ "predicted": "Precursor synthesis: The single-atom Ni sites were anchored on the surface of carbon nanotubes (CNTs) by a simple ligand-assisted method. The CNTs were functionalized with oxygen-containing groups, which facilitated the coordination of nickel ions to the oxygen atoms and the formation of stable metal-ligand complexes.\n\nSynthesis: The metal-ligand complexes were then reduced in the presence of a catalyst to form the single-atom Ni sites on the CNTs. The reaction was carried out under mild conditions to prevent the aggregation of metal atoms.\n\nCharacterization: The final catalysts were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM), and in situ X-ray absorption spectroscopy (XAS). XRD confirmed the absence of any metallic Ni phases. TEM showed the single-atom Ni sites were uniformly distributed on the CNTs. In situ XAS revealed the coordination environment of Ni atoms and their interaction with the CNTs.\n\nElectrocatalytic activity test: The single-atom Ni sites on CNTs were evaluated as electrocatalysts for the hydrogen evolution reaction (HER). The catalysts exhibited high catalytic activity and stability, with a low overpotential and excellent durability.",
+ "ground_truth": "Precursor synthesis: The product (Ni-TAPc) was successively leached at 120 8 8 C in 1 m HCl and 1 m NaOH for 2 hours each to remove reactants and byproducts. The obtained product (0.1 g) and Na2S\u00b79H2O (0.1 g) were added to a 50 mL flask filled with N, N-dimethylformamide (DMF, 15 mL) at 60 8 8 C for 2 hours. The resultant solution was poured into H2O (150 mL) and washed twice with CCl4. Ni-TAPc was finally obtained after drying under vacuum.\nSAC synthesis: In a typical synthesis of Ni-CNT-CONH, CNTs (1 g) were added to a solution comprising SOCl2 (50 mL) and DMF (8 mL), and stirred for 2 hours at 70 8 8 C. The CNTs were then washed with tetrahydrofuran (THF) and dried under vacuum. Subsequently, the treated CNTs (300 mg) and Ni-TAPc (30 mg) were added to DMF (30 mL) and stirred for 96 hours at 70 8 8 C. Finally, the product was washed with ethanol and collected by freeze-drying."
+ }
+ ],
+ "10.1002_aenm.201801226": [
+ {
+ "id": 12,
+ "sac_id": "Atom: Fe\nSupport Material: Sodium Alginate (SA) and Carbon (C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Sodium Alginate (SA) and Carbon (C)\n\n",
+ "predicted": "Precursor synthesis: Sodium alginate (SA, 5 g L^-1) was dissolved in deionized water under magnetic stirring for 24 h. Then, a certain amount of ferrous sulfate heptahydrate (FeSO\u2084\u00b77H\u2082O, 0.3 mL, 0.05 M) was added to the above solution with vigorous stirring for another 8 h. The resulting mixture was named as SA-Fe solution.\n\nSynthesis of Y-shaped carbon nanofibers@hollow carbon spheres (YCNF@HCS): The prepared SA-Fe solution was pumped into an electrospinning syringe equipped with a metallic needle (inner diameter = 0.6 mm). The feeding rate was controlled at 0.5 mL h^-1. A high-voltage direct current of +15 kV was applied to the needle while the metallic collector was grounded. The resulting fibrous flocculates were collected and dried at room temperature for 24 h. Subsequently, the dried flocculates were calcined at 900 \u00b0C for 3 h in a tubular furnace with a heating rate of 5 \u00b0C min^-1 under flowing Ar atmosphere. The as-obtained products were etched by 2 mol L^-1 HCl for 24 h to remove unstable iron species. After washing with deionized water until neutral pH, the final product of YCNF@HCS was obtained.",
+ "ground_truth": "Precursor synthesis: Iron (III) chloride anhydrous (FeCl3) with 97% purity was obtained from Sinopharm Chemical Reagent Co., Ltd. (China). Cyanamide (50% w/w in water) was purchased from Adamas.\n\nSAC synthesis: Fe-N and Fe-N-KJ control samples were synthesized by a similar strategy but in the absence of SA (for Fe-N) or adding 0.4 g KJ carbon instead of SA (for Fe-N-KJ)."
+ },
+ {
+ "id": 13,
+ "sac_id": "Atom: Fe\nSupport Material: Carbon (C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Carbon (C)\n\n",
+ "predicted": "Precursor synthesis: 1,4-Dihydroxybenzene (salicyaldehyde) and Iron(II) acetate were used as precursors.\nSynthesis: In a typical experiment, 1,4-dihydroxybenzene (mL, mmol) and Iron(II) acetate (g, mmol) were dissolved in ethanol (L). The resulting solution was evaporated at 70 \u00b0C to obtain solid powder. Then, the powder was transferred into a quartz boat and placed in a horizontal tube furnace. The sample was heated at a rate of \u00b0C/min to T \u00b0C for t h and then cooled down to room temperature. The heating/cooling rate was set to 5 \u00b0C/min. The sample was mixed with KCl (g) and heated at 300 \u00b0C for 2 h before collection.",
+ "ground_truth": "Precursor synthesis: Iron (III) chloride anhydrous (FeCl3) with 97% purity was obtained from Sinopharm Chemical Reagent Co., Ltd. (China). Cyanamide (50% w/w in water) was purchased from Adamas.\n\nSAC synthesis: Fe-N and Fe-N-KJ control samples were synthesized by a similar strategy but in the absence of SA (for Fe-N) or adding 0.4 g KJ carbon instead of SA (for Fe-N-KJ)."
+ }
+ ],
+ "10.1002_adfm.202100547": [
+ {
+ "id": 14,
+ "sac_id": "Atom: Co\nSupport Material: Nitrogen-doped non-stacked reduced graphene oxide (NSrGO)\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Nitrogen-doped non-stacked reduced graphene oxide (NSrGO)\n\n",
+ "predicted": "Precursor synthesis: GO was prepared from natural graphite powder through a modified Hummers' method. Typically, 2 g of graphite was added into 50 mL of H2SO4 (98 wt%) in a 125 mL flask under continuous stirring. The mixture was then cooled to 0 \u00b0C in an ice bath, after which 6 g of KMnO4 was slowly added with stirring. The reaction system was kept at 0 \u00b0C for 10 h and then heated to 50 \u00b0C for another 8 h. After that, 80 mL of H2O was quenchingly poured into the reaction system, followed by the addition of 15 mL of H2O2 (30 wt%). Subsequently, 40 g of NaOH was gradually added into the above mixture with stirring until the pH value reached 7. The precipitate was extracted using a Soxhlet extractor with CHCl3/ethanol (v/v = 1:1) for several hours to remove the residual metal salts and organics. Finally, the GO precipitates were dispersed in 100 mL of deionized water under ultrasonication for 30 min to obtain the GO solution with a concentration of about 2 mg mL-1.\n\nThe GO solution (50 mL, 2 mg mL-1) was diluted to 100 mL with deionized water. Then, 100 mL of CoCl2\u00b76H2O aqueous solution (1.2 mmol L-1) was slowly added into the above GO solution with continuous stirring for 3 h at room temperature. Next, the mixed solution was quickly frozen by liquid nitrogen, followed by irradiating with a Xe flash lamp (purchased from Beijing Yongsheng Optoelectronic Equipment Co., Ltd.) with a power density of 100 W m-2 for 1 s. This freeze-discharge process was repeated for 10 times to obtain the Co2+-doped graphene oxide aqueous suspension. Finally, the suspension was centrifuged at 4000 rpm for 15 min to remove the supernatant. The remaining Co2+ ions in the supernatant were measured as 0.11 mg L-1 by ICP-OES. The obtained Co2+-doped graphene oxide aqueous suspension was denoted as Co2+-GO.\n\nThe Co2+-GO was diluted to 100 mL with deionized water. Then, 100 mL of NaBH4 aqueous solution (2 mol L-1) was slowly added into the above Co2+-GO with continuous stirring for 3 h at room temperature. After that, the mixed solution was quickly frozen by liquid nitrogen, followed by irradiating with a Xe flash lamp (purchased from Beijing Yongsheng Optoelectronic Equipment Co., Ltd.) with a power density of 100 W m-1 for 1 s. This freeze-discharge process was repeated for 10 times to obtain the Co metal-doped graphene oxide aqueous suspension. Finally, the suspension was centrifuged at 4000 rpm for 15 min to remove the supernatant. The obtained Co metal-doped graphene oxide aqueous suspension was denoted as Co-M/GO.\n\nThe Co-M/GO was diluted to 100 mL with deionized water. Then, 100 mL of 0.1 M HCl solution was slowly added into the above Co-M/GO with continuous stirring for 3 h at room temperature. Afterwards, the mixed solution was quickly frozen by liquid nitrogen, followed by irradiating with a Xe flash lamp (purchased from Beijing Yongsheng Optoelectronic Equipment Co., Ltd.) with a power density of 100 W m-1 for 1 s. This freeze-discharge process was repeated for 10 times to obtain the Co-M/GO aqueous suspension. Finally, the suspension was centrifuged at 4000 rpm for 15 min to remove the supernatant. The obtained Co-M/GO aqueous suspension was denoted as NSrGO.\n\nCo-M/GO was dried at 60 \u00b0C overnight to obtain Co-M/GO powders. The Co-M/GO powders were transferred into a quartz boat and placed in a tube furnace. The sample was heated to 900 \u00b0C with a heating rate of 10 \u00b0Cmin-1 under Ar flow (flow rate: 20 mLmin-1), held at this temperature for 2 h, and then naturally cooled down to room temperature to obtain the final product, denoted as Co/NSrGO.",
+ "ground_truth": "Precursor synthesis: Graphene oxide (GO) was prepared by means of a modified Hummers' method from natural graphite using sulfuric acid, potassium permanganate, and sodium nitrate. Non-stacked GO (NSGO) was prepared by an anti-solvent method. Specifically, as-synthesized GO (500 mg) was dispersed in ethanol (500 ml, 5 mg ml -1 ). After dispersion, 500 ml of methyl chloride and 1000 ml of hexane were added to the GO solution until the GO sheets settled to allow for complete removal of water. Finally, the synthesized NSGO was washed with hexane several times and collected. A mixture of solid NSGO (0.5 g) and melamine (2 g) was ground into powder, then directly calcined at 700 \u00b0C by flowing argon gas. The resulting samples were cooled to room temperature under argon ambient. Finally, the hybrid material, nitrogen-doped non-stacked reduced GO (NSrGO), was collected from the crucible.\nSAC synthesis: Co NPs were synthesized by annealing a mixture of cobalt salen complex (CSC), graphene oxide (GO), and melamine. Specifically, a mixture of solid CSC (50 mg), KOH-active-NSGO (0.5 g), and melamine (2 g) was ground into a powder and then directly calcined at 700 \u00b0C by a flow of argon gas. The samples were then cooled to room temperature under argon ambient. Finally, the hybrid materials, edge-rich cobalt single atoms enfolded by nitrogen-doped non-stacked reduced GO (denoted as E-Co SAs), were collected from the crucible."
+ },
+ {
+ "id": 15,
+ "sac_id": "Atom: Co\nSupport Material: Nitrogen-doped non-stacked reduced graphene oxide (NSrGO)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Nitrogen-doped non-stacked reduced graphene oxide (NSrGO)\n\n",
+ "predicted": "Precursor synthesis: GO was prepared from natural graphite powder through a modified Hummers' method. Typically, 2 g of graphite was added into 50 mL of H2SO4 (98 wt%) in a 125 mL flask under continuous stirring. The mixture was then cooled to 0 \u00b0C in an ice bath, after which 6 g of KMnO4 was slowly added with stirring. The reaction system was kept at 0 \u00b0C for 10 h and then heated to 50 \u00b0C for another 8 h. After that, 80 mL of H2O was quenchingly poured into the reaction system, followed by the addition of 15 mL of H2O2 (30 wt%). Subsequently, 40 g of NaOH was gradually added into the above mixture with stirring until the pH value reached 7. The precipitate was extracted using a Soxhlet extractor with CHCl3/ethanol (v/v = 1:1) for several hours to remove the residual metal salts and organics. Finally, the GO precipitates were dispersed in 100 mL of deionized water under ultrasonication for 30 min to obtain the GO solution with a concentration of about 2 mg mL-1.\n\nThe GO solution (50 mL, 2 mg mL-1) was diluted to 100 mL with deionized water. Then, 100 mL of CoCl2\u00b76H2O aqueous solution (1.2 mmol L-1) was slowly added into the above GO solution with continuous stirring for 3 h at room temperature. Next, the mixed solution was quickly frozen by liquid nitrogen, followed by irradiating with a Xe flash lamp (purchased from Beijing Yongsheng Optoelectronic Equipment Co., Ltd.) with a power density of 100 W m-2 for 1 s. This freeze-discharge process was repeated for 10 times to obtain the Co2+-doped graphene oxide aqueous suspension. Finally, the suspension was centrifuged at 4000 rpm for 15 min to remove the supernatant. The remaining Co2+ ions in the supernatant were measured as 0.11 mg L-1 by ICP-OES. The obtained Co2+-doped graphene oxide aqueous suspension was denoted as Co2+-GO.\n\nThe Co2+-GO was diluted to 100 mL with deionized water. Then, 100 mL of NaBH4 aqueous solution (2 mol L-1) was slowly added into the above Co2+-GO with continuous stirring for 3 h at room temperature. After that, the mixed solution was quickly frozen by liquid nitrogen, followed by irradiating with a Xe flash lamp (purchased from Beijing Yongsheng Optoelectronic Equipment Co., Ltd.) with a power density of 100 W m-1 for 1 s. This freeze-discharge process was repeated for 10 times to obtain the Co metal-doped graphene oxide aqueous suspension. Finally, the suspension was centrifuged at 4000 rpm for 15 min to remove the supernatant. The obtained Co metal-doped graphene oxide aqueous suspension was denoted as Co-M/GO.\n\nThe Co-M/GO was diluted to 100 mL with deionized water. Then, 100 mL of 0.1 M HCl solution was slowly added into the above Co-M/GO with continuous stirring for 3 h at room temperature. Afterwards, the mixed solution was quickly frozen by liquid nitrogen, followed by irradiating with a Xe flash lamp (purchased from Beijing Yongsheng Optoelectronic Equipment Co., Ltd.) with a power density of 100 W m-1 for 1 s. This freeze-discharge process was repeated for 10 times to obtain the Co-M/GO aqueous suspension. Finally, the suspension was centrifuged at 4000 rpm for 15 min to remove the supernatant. The obtained Co-M/GO aqueous suspension was denoted as NSrGO.\n\nCo-M/GO was dried at 60 \u00b0C overnight to obtain Co-M/GO powders. The Co-M/GO powders were transferred into a quartz boat and placed in a tube furnace. The sample was heated to 900 \u00b0C with a heating rate of 10 \u00b0Cmin-1 under Ar flow (flow rate: 20 mLmin-1), held at this temperature for 2 h, and then naturally cooled down to room temperature to obtain the final product, denoted as Co/NSrGO.",
+ "ground_truth": "Precursor synthesis: Graphene oxide (GO) was prepared by means of a modified Hummers' method from natural graphite using sulfuric acid, potassium permanganate, and sodium nitrate. Non-stacked GO (NSGO) was prepared by an anti-solvent method. Specifically, as-synthesized GO (500 mg) was dispersed in ethanol (500 ml, 5 mg ml -1 ). After dispersion, 500 ml of methyl chloride and 1000 ml of hexane were added to the GO solution until the GO sheets settled to allow for complete removal of water. Finally, the synthesized NSGO was washed with hexane several times and collected. A mixture of solid NSGO (0.5 g) and melamine (2 g) was ground into powder, then directly calcined at 700 \u00b0C by flowing argon gas. The resulting samples were cooled to room temperature under argon ambient. Finally, the hybrid material, nitrogen-doped non-stacked reduced GO (NSrGO), was collected from the crucible.\nSAC synthesis: Co NPs were synthesized by annealing a mixture of cobalt salen complex (CSC), graphene oxide (GO), and melamine. Specifically, a mixture of solid CSC (50 mg), KOH-active-NSGO (0.5 g), and melamine (2 g) was ground into a powder and then directly calcined at 700 \u00b0C by a flow of argon gas. The samples were then cooled to room temperature under argon ambient. Finally, the hybrid materials, edge-rich cobalt single atoms enfolded by nitrogen-doped non-stacked reduced GO (denoted as E-Co SAs), were collected from the crucible."
+ }
+ ],
+ "10.1002_adfm.201902041": [
+ {
+ "id": 16,
+ "sac_id": "Atom: Pt\nSupport Material: Co3O4\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Co3O4\n\n",
+ "predicted": "Precursor synthesis: 0.278 g of Co(NO3)2\u00b76H2O and 0.4 g of hexadecyl trimethyl ammonium bromide (CTAB) were dissolved in 15 mL of water under stirring to form a homogeneous solution. Then, 9 mL of an aqueous ammonia solution was added dropwise into the above mixed solution with vigorous stirring for 1 h. The resulting suspension was transferred into a Teflon-lined stainless steel autoclave and heated at 150 \u00b0C for 12 h. After cooling down to room temperature naturally, the solid product was collected by centrifugation, washed with deionized water and ethanol several times, and dried at 60 \u00b0C overnight. 80 mg of the as-synthesized Co3O4 nanosheets was dispersed in 20 mL of deionized water containing 10 \u03bcL of H2PtCl6\u00b76H2O solution (10 mg/mL). The mixture was ultrasonicated for 1 h before being dried at 60 \u00b0C for 12 h. The obtained powder was annealed at 200 \u00b0C for 1 h under Ar atmosphere to yield Pt/Co3O4 nanosheets.",
+ "ground_truth": "Precursor synthesis: 5.73 g of cobalt acetate tetrahydrate was dissolved in 60 mL of ethylene glycol and stirred for 10 min under N2 condition. The solution was heated to 50 \u00b0C in an oil bath, and 200 mL of Na2CO3 aqueous (1 M) containing an amount of chloroplatinic acid (H2PtCl6\u00b76H2O, 1.5 mgPt\u00b7mL -1 ) was added drop-wise. The solution was subsequently heated to 160 \u00b0C and left to stir for another 2 h under a continuous N2 stream. The resultant solid was gained using centrifugation and washing with deionized water and ethanol. The Pt1-Co3O4 catalyst was obtained by vacuum drying at 80 \u00b0C and calcining at 450 \u00b0C for 4 h in air with a heating rate of 1 \u00b0C\u00b7min -1."
+ }
+ ],
+ "10.1002_cnma.201900597": [
+ {
+ "id": 17,
+ "sac_id": "Atom: Co\nSupport Material: Sulfur group functionalized Graphene (GS)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Sulfur group functionalized Graphene (GS)\n\n",
+ "predicted": "Precursor synthesis: 1.0 g of graphite powder, 25 mL of sulfuric acid (Sigma-Aldrich, 90%), and 7.5 g of potassium permanganate (Sigma-Aldrich) were mixed and stirred for 3 h in a 60 \u00b0C water bath. The mixture was transferred into a 100 mL Teflon-lined autoclave and kept at 140 \u00b0C for 30 h. After the reaction, the products were washed with 500 mL of 1 M hydrochloric acid and filtered. The filtered sample was further washed with deionized water until pH \u2248 7. The obtained GO was dispersed in deionized water (0.5 mg mL\u22121).\n\nSulfuration of GO to GSG was carried out by mixing GO dispersion (25 mL, 0.5 mg mL\u22121) with thiourea (Sigma-Aldrich, \u2265 98%) solution (25 mL, 0.5 M) under continuous stirring for 24 h. The resulting suspension was then transferred to a 50 mL Teflon-lined autoclave and heated at 140 \u00b0C for 12 h. After cooling down, the GSG was collected by centrifugation and washed with water several times.\n\nFabrication of Co/GSG electrodes: Zinc foam (ZF, GoodFellow, 99.9%, 10 mm \u00d7 10 mm \u00d7 3 mm) was first polished with sandpaper from 600 to 2000 grit to expose metallic zinc surface. Then, Co/GSG electrode was fabricated by electrodeposition of Co on GSG-modified ZF. A two-electrode system was used where ZF or carbon paper (CP, Toray, 10 mm \u00d7 10 mm \u00d7 0.08 mm) was used as working electrode and Ag/AgCl electrode (CHI 1202B, CH Instruments) was used as counter electrode. The electrolyte is 1 M KCl solution. The electrodeposition was performed using a potentiostat (CHI 700E, CH Instruments) with a constant current density of 0.2 mA cm\u22122 for 10 min.",
+ "ground_truth": "Precursor synthesis: Graphene (1.5 g) was hydrothermally treated with sulfuric acid (30 mL) in a 60 mL autoclave at 90 \u00b0C for 12 hours. And the processes of washing by the deionized water and drying were conducted sequentially. This sample is named as GS. The increase of ionexchanging site number of GS was calculated using back titration procedure by measuring both G and GS. Deionized water (35 mL), NaCl (0.5 g), 1 M NaOH (3 mL), and GS or G (0.2 g) were mixed and stirred for 24 hours. Subsequently, the solid was filtrated and supernatant liquid was mixed with few drops of phenolphthalein. And then the mixture was titrated with 0.1 M aqueous HCl until the color change from pink to transparency. The increase of ionexchanging site number of GS was calculated from the difference of the titrated amount.\n\nSAC synthesis: GS (0.5 g) was stirred with Co (NO3)2\u00b76H2O (0.022 g) for 5 hours in deionized water (40 mL) at room temperature. Co 2+ ion exchanged GS (Co-IE/GS) was washed with water and dried. Then, 0.25 g of Co-IE/GS was carbonized at 800 \u00b0C for 3 hours with a ramp of 13 \u00b0C/min under an N2 atmosphere in a tubular furnace. The sample is denoted as Co/GS."
+ },
+ {
+ "id": 18,
+ "sac_id": "Atom: Co\nSupport Material: Graphene (G)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Graphene (G)\n\n",
+ "predicted": "Precursor synthesis: Cobalt acetate tetrahydrate, 1,10-phenanthroline monohydrate, and ethylenediamine were used as precursors.\nSynthesis process: In a typical experiment, 20 mg graphene was dispersed in 5 mL ethylenediamine under ultrasonication for 30 min to form solution A. Then, 60 mg cobalt acetate tetrahydrate was added into solution A with stirring for another 30 minutes. After that, 80 mg 1,10-phenanthroline monohydrate was added into the above mixture with continuous stirring for 4 hours. The obtained mixture was then dried at 70 \u00b0C overnight. Finally, the mixture was annealed at 900 \u00b0C for 2 h under Ar atmosphere. The product was collected after cooling down to room temperature naturally.",
+ "ground_truth": "Precursor synthesis: Graphene (1.5 g) was hydrothermally treated with sulfuric acid (30 mL) in a 60 mL autoclave at 90 \u00b0C for 12 hours. And the processes of washing by the deionized water and drying were conducted sequentially. This sample is named as GS. The increase of ionexchanging site number of GS was calculated using back titration procedure by measuring both G and GS. Deionized water (35 mL), NaCl (0.5 g), 1 M NaOH (3 mL), and GS or G (0.2 g) were mixed and stirred for 24 hours. Subsequently, the solid was filtrated and supernatant liquid was mixed with few drops of phenolphthalein. And then the mixture was titrated with 0.1 M aqueous HCl until the color change from pink to transparency. The increase of ionexchanging site number of GS was calculated from the difference of the titrated amount.\n\nSAC synthesis: GS (0.5 g) was stirred with Co (NO3)2\u00b76H2O (0.022 g) for 5 hours in deionized water (40 mL) at room temperature. Co 2+ ion exchanged GS (Co-IE/GS) was washed with water and dried. Then, 0.25 g of Co-IE/GS was carbonized at 800 \u00b0C for 3 hours with a ramp of 13 \u00b0C/min under an N2 atmosphere in a tubular furnace. The sample is denoted as Co/GS."
+ }
+ ],
+ "10.1002_cssc.202000375": [
+ {
+ "id": 19,
+ "sac_id": "Atom: Au\nSupport Material: Amino-group-enriched graphitic carbon nitride (U-ACN)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Au\nSupport Material: Amino-group-enriched graphitic carbon nitride (U-ACN)\n\n",
+ "predicted": "Precursor synthesis: Urea, ammonium chloride, and potassium chloride were used as precursors.\n\nSynthesis: In a typical synthesis, urea (20 g), ammonium chloride (10 g), potassium chloride (10 g), and melamine (1 g) were ground into a homogeneous precursor by hand grinding. The mixture was placed in a crucible and then heated in a muffle furnace at 550 \u00b0C for 4 h with a ramp rate of 2 \u00b0C min -1. After cooling to room temperature, the product was washed with deionized water and ethanol several times to remove impurities on the surface. Subsequently, the sample was placed in a tube furnace and annealed at 900 \u00b0C for 2 h with a ramp rate of 5 \u00b0C min -1 under Ar gas flow. After cooling to room temperature, the final product was washed with deionized water and ethanol several times to further remove the corrosive salt and unwanted substances from the porous surfaces. For comparison, pristine UCN was prepared using the same procedure without adding melamine.\n\nCharacterization: The XRD patterns of UCN and U-ACN were recorded on a Bruker D8 Advance powder diffractometer with Cu K\u03b1 radiation. SEM images were obtained using a Zeiss Supra 55 field emission scanning electron microscope. TEM images were taken using a JEOL JEM-2100F transmission electron microscope operating at 200 kV. Raman spectra were measured using a Renishaw inVia Raman spectrometer with a laser wavelength of 532 nm. Nitrogen adsorption-desorption isotherms were conducted at 77 K using a Micromeritics TriStar III 3000 analyzer. XPS measurements were performed using a Thermo ESCALAB Xi+ spectrometer with Al K\u03b1 radiation. FT-IR spectra were collected using a Nicolet iS10 spectrophotometer equipped with an attenuated total reflection (ATR) accessory. ICP-OES analyses were carried out using a PerkinElmer AA240Z high-resolution continuum source atomic emission spectrometer. UV-Vis diffuse reflectance spectra (DRS) were recorded using a Shimadzu UV-3600 spectrophotometer with BaSO4 as a white standard. Photocurrent measurements were conducted in a conventional three-electrode electrochemical cell connected to a CHI 760E electrochemical workstation. A sacrificial electron donor solution consisting of 10 mM sodium formate in 0.1 M KCl was used. Linear sweep voltammetry (LSV) measurements were performed with a scan rate of 10 mV s -1. Mott-Schottky measurements were carried out at open circuit potentials with a frequency of 1 kHz. Electrochemistry tests such as photocatalytic H2 production were performed in a custom-built photoreactor system equipped with a 300 W Xe light source (CECIL CE 300) with a 420 nm cutoff filter. Prior to the reaction, the working electrode was pretreated by 1 CV cycle between 0 and 1.2 V vs. RHE at a scan rate of 50 mVs-1 in 0.1 M KOH electrolyte to activate the semiconductor surface.",
+ "ground_truth": "Precursor synthesis: Graphitic carbon nitride was prepared through the polymerization of melamine and urea mixture under an elevated-temperature. In detail, melamine and urea were ground in a mortar at a mass ratio of 1:1 to make a mixture. The solid mixture was put into a muffle furnace and calcined in air at 550 o C for 4 hours, the heating rate and cooling rate were both 5 o C/min.\n\nSAC synthesis: Au single atom on amino modified graphitic carbon nitride was synthesized by mild urea reduction method. 1 g graphitic carbon nitride was dispersed in 24.2 ml of 4.2\u00d710^-3 M HAuCl4 solution, then 100 ml deionized water was added under magnetic stirring. After graphitic carbon nitride was evenly dispersed, 2.521 g urea again was dissolved in the solution as pH adregulator. After that, the obtained solution was heated to 80 o C and maintained for 16 hours in oil. Followed by suction filtration, the precipitation of purple was washed three times by water and alcohol, respectively, then dried in an oven at 80 o C for 8 h. 50 ml solution that contain thiourea, H2O2, and H2SO4 of 30 g/L, 0.5 M, and 2M was prepared, then was heated to 60 o C. Next, adding the dried purple powder into the solution under magnetic stirring for 5 min, watching the color changed from purple to light yellow. Finally, pouring the solution into suction filtration machine quickly, washed by water and alcohol for three times, dried in oven for 12 h."
+ }
+ ],
+ "10.1002_anie.202002665": [
+ {
+ "id": 20,
+ "sac_id": "Atom: Fe\nSupport Material: Bulk carbon structure (BCS)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Bulk carbon structure (BCS)\n\n",
+ "predicted": "Precursor synthesis: Iron pentacarbonyl (Fe(CO)5) was used as the precursor.\nSynthesis: The BCS supported iron nanoparticles were prepared by thermal decomposition of Fe(CO)5 in a flow of Ar at 300 \u00b0C.\nPost-synthesis processing: No further post-synthesis processing steps were reported.",
+ "ground_truth": "Precursor synthesis: Zn(NO3)2\u00b76H2O (1.68 g) was dissolved in 80 mL of methanol. A mixture of 2-methylimidazole (3.70 g) with 80 mL methanol was added to the above solution with vigorous stirring for 24 h. The product was separated by centrifugation and washed thoroughly with methanol for twice. The resulting powder was further activated at 100 \u00b0C under vacuum for 24 h prior to use. The synthesis of Fe/ZIF-8 was basically identical to the synthesis of ZIF-8 nanocrystals, except with adding 0.7 g Fe(acac)3 into the above solution. The above Fe/ZIF-8 dispersion solution was poured into 120 mL of H2O, and then 6 mL of an aqueous cetyltrimethylammonium bromide (CTAB) solution (25 mg mL^-1) and 10 mL of an aqueous NaOH solution (6 mg mL^-1) were added. Tetraethyl orthosilicate (TEOS) (1.2 mL in 6 mL of methanol) was injected into the above solution, and the resulting dispersion was stirred for 2 h. The resulting powders were collected by centrifugation and washed with ethanol for several times. The final products, marked as Fe/ZIF-8@SiOx, were dried at 100 \u00b0C in a vacuum oven for further use.\nSAC synthesis: The as-prepared Fe/ZIF-8@SiOx was placed in a ceramic boat and placed into a temperature-programmed furnace under an Ar flow. The temperature was first increased to 300 \u00b0C at a heating ramp of 5 \u00b0C min^-1 and maintained for 2 h in a temperature-programmed furnace in Ar atmosphere. Then, the calcination temperature was further raised to 900 \u00b0C with the same ramp rate and kept at this temperature for another 5 h. After cooling down to room temperature naturally, the resultant black carbons were then washed by 12% HF, 1 M HCl, H2O, and methanol, and dried at 60 \u00b0C under vacuum, denoted as Fe/OES."
+ },
+ {
+ "id": 21,
+ "sac_id": "Atom: Fe\nSupport Material: Overhang-eave carbon cages (OES)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Overhang-eave carbon cages (OES)\n\n",
+ "predicted": "Precursor synthesis: The overhang-eave pore-ordered carbon framework (denoted as OES) was fabricated by a two-step pyrolysis of ZIF-8/ZIF-67 composite precursors. First, 20 g of 2-methylimidazole and 14.5 g of Zn(NO3)2\u00b76H2O were dissolved in 150 mL of methanol to form solution A. Second, 9.5 g of ZrCl4 and 10 g of methanol were added to solution A with continuous stirring for 1 h at room temperature. Then, the mixture was transferred into a Teflon-lined stainless steel autoclave and heated at 120 \u00b0C for 12 h. After cooling down naturally, the products were collected by centrifugation and washed with methanol three times and dried at 60 \u00b0C overnight. Finally, the dried powder was placed in a tube furnace and heated to 900 \u00b0C with a heating rate of 5 \u00b0C min-1 under Ar gas flow for 2 h. The obtained black powder was denoted as OES.\n\nSynthesis of N-doped OES: To prepare N-doped OES, 1 g of OES was mixed with 10 g of dicyandiamide through grinding process. Subsequently, the mixture was annealed at 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C min-1 under Ar gas flow. The final product was named as N-DOES.",
+ "ground_truth": "Precursor synthesis: Zn(NO3)2\u00b76H2O (1.68 g) was dissolved in 80 mL of methanol. A mixture of 2-methylimidazole (3.70 g) with 80 mL methanol was added to the above solution with vigorous stirring for 24 h. The product was separated by centrifugation and washed thoroughly with methanol for twice. The resulting powder was further activated at 100 \u00b0C under vacuum for 24 h prior to use. The synthesis of Fe/ZIF-8 was basically identical to the synthesis of ZIF-8 nanocrystals, except with adding 0.7 g Fe(acac)3 into the above solution. The above Fe/ZIF-8 dispersion solution was poured into 120 mL of H2O, and then 6 mL of an aqueous cetyltrimethylammonium bromide (CTAB) solution (25 mg mL^-1) and 10 mL of an aqueous NaOH solution (6 mg mL^-1) were added. Tetraethyl orthosilicate (TEOS) (1.2 mL in 6 mL of methanol) was injected into the above solution, and the resulting dispersion was stirred for 2 h. The resulting powders were collected by centrifugation and washed with ethanol for several times. The final products, marked as Fe/ZIF-8@SiOx, were dried at 100 \u00b0C in a vacuum oven for further use.\nSAC synthesis: The as-prepared Fe/ZIF-8@SiOx was placed in a ceramic boat and placed into a temperature-programmed furnace under an Ar flow. The temperature was first increased to 300 \u00b0C at a heating ramp of 5 \u00b0C min^-1 and maintained for 2 h in a temperature-programmed furnace in Ar atmosphere. Then, the calcination temperature was further raised to 900 \u00b0C with the same ramp rate and kept at this temperature for another 5 h. After cooling down to room temperature naturally, the resultant black carbons were then washed by 12% HF, 1 M HCl, H2O, and methanol, and dried at 60 \u00b0C under vacuum, denoted as Fe/OES."
+ }
+ ],
+ "10.1002_smll.202001782": [
+ {
+ "id": 22,
+ "sac_id": "Atom: Pd\nSupport Material: 3DOM-CeO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Organic\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: 3DOM-CeO2\n\n",
+ "predicted": "Precursor synthesis: The preparation of CeO2 nanorods was similar to that reported in the literature. [1] Typically, 0.7 g Ce(NO3)3\u00b76H2O and 5 mL NH4OH (25~28%) were dropped into 90 mL H2O under 600 r/min stirring at room temperature. After 1 h, the precipitate was washed with H2O several times and dried at 80 \u00b0C for 6 h. The precursor was then calcined at 400 \u00b0C for 2 h in air.\n\nPd deposition: The Pd loading on 3DOM-CeO2 was carried out by a cyclic voltammetry method. [2] A three-electrode system was used with 3DOM-CeO2 as the working electrode, Ag/AgCl as the reference electrode, and CO(g)-saturated electrolyte (CO(g)-saturated H2O) as the electrolyte. The cyclic voltammetry was performed from 0.1 to -0.1 V vs RHE at a scan rate of 50 mV s-1 for ten cycles. The Pd content was measured by ICP-AES (Optima 7300 DV, PerkinElmer).\n\nSuzuki coupling reaction: The typical Suzuki coupling reaction was conducted in a three-necked flask under an argon atmosphere. Aniline (0.2 mmol), iodobenzene (0.2 mmol), K2CO3 (0.4 mmol), Pd@3DOM-CeO2 catalyst (1 mol% based on iodobenzene), and N, N, N', N'-tetramethylethylenediamine (TEMED, 10 mol%) were dissolved in a mixed solvent of acetone (10 mL) and H2O (2 mL). The reaction mixture was stirred vigorously at room temperature for 1 h. Then, more acetone (10 mL) was added to dilute the solution. The product was purified by column chromatography (petroleum ether: ethyl acetate = 1:1) and identified by 1H NMR spectroscopy (Bruker Avance III 400 MHz).",
+ "ground_truth": "Herein, the heterogeneous catalyst of Pd SAs anchored in 3DOM structural ceria (Pd-SAs/3DOM-CeO2) has been synthesized through a facile template-assisted in situ pyrolysis method. This catalyst presents a desirable integration of atomically dispersed Pd active sites with 3DOM-structural CeO2 support through two-way interactions. Specifically, the high specific surface area of 3DOM CeO2 facilitates the anchoring of Pd SAs with a high loading content of 1.76 wt%, while the introduction of Pd atoms induces the generation of abundant OVs and promotes the mesoporosity of CeO2 support."
+ }
+ ],
+ "10.1002_cctc.202001667": [
+ {
+ "id": 23,
+ "sac_id": "Atom: Zn\nSupport Material: N-doped carbon nanofibers (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Zn\nSupport Material: N-doped carbon nanofibers (N-C)\n\n",
+ "predicted": "Precursor synthesis: Polyacrylonitrile (PAN), zinc nitrate hexahydrate, 1,5-diaminoanthraquinone (DAAQ)\nSAC synthesis: In a typical procedure for synthesizing ZIF-8/PAN composites, 2.37 g of polyacrylonitrile (PAN) was dissolved in 60 mL N,N-dimethylformamide (DMF) at room temperature to form a homogeneous solution under stirring. Then, 4.98 g of zinc nitrate hexahydrate and 0.18 g of 1,5-diaminoanthraquinone (DAAQ) were added into the above solution with continuous stirring for 12 h. The mixture was then transferred into a plastic syringe equipped with a stainless steel needle (diameter of 200 \u03bcm). Afterwards, electrospinning process was carried out with an applied voltage of 14 kV and the distance between the needle tip and the collector was set as 15 cm. The obtained composite fibers were dried at 80 \u00b0C for 12 h to completely remove the DMF solvent. Subsequently, the as-prepared composite fibers were subjected to heat treatment at 280 \u00b0C for 2 h with a heating rate of 1 \u00b0C min -1, followed by thermal treatment at 1000 \u00b0C for another 2 h with a heating rate of 5 \u00b0C min -1 under Ar flow. The resulting materials are denoted as ZIF-8/PAN-X, where X represents the mass fractions of ZIF-8 in the precursors.\n\nN-C/Zn synthesis: The N-C/Zn samples were prepared through a similar procedure to that for the SACs except that the ZIF-8/PAN composites were not treated with the second heat treatment. Subsequently, the obtained composite fibers were pyrolyzed at 1000 \u00b0C for 2 h with a heating rate of 5 \u00b0C min -1 under Ar flow.",
+ "ground_truth": "Precursor synthesis: 0.456 mL of Aniline was dispersed ultrasonically in 200 mL 1 M HCl aqueous solution at room temperature for 10 min to obtain a homogenous emulsion. 1.414 g of (NH4)2S2O8 that was dissolved in HCl (1 M, 20 mL) solution was added into the emulsion and stirred at 0 \u00b0C for 24 hours. After the completion of the reaction, the as-obtained polyaniline (PANI) was centrifuged and washed with ethanol three times and dried in vacuum at 70 \u00b0C for overnight.\nSAC synthesis: Zn SAs on CNTs and graphene catalysts were respectively prepared under the same preparation conditions as for Zn SAs/N-C, except for different substrates, which were denoted as Zn SAs/G."
+ },
+ {
+ "id": 24,
+ "sac_id": "Atom: Zn\nSupport Material: N-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Zn\nSupport Material: N-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: Zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O, 3.948 g) and dimethyl imidazole (1-DIAZ,, 2.064 g) were completely dissolved in 15 mL of methanol solution under magnetic stirring to obtain a homogeneous solution (solution A). Then 20 mL of methanol solution containing 2-methylimidazole (1-MEI,, 2.064 g) was poured into solution A with vigorous stirring for another 24 h at room temperature. After centrifugation and washing with methanol three times, the obtained precipitates were placed in an oven at 60 \u00b0C overnight to remove residual solvent.\nS synthesis: The above-mentioned ZIF-8 precursor (50 mg) was ultrasonically dispersed in 50 mL of methanol solution containing different amounts (0 mmol, 0.75 mmol, 1.5 mmol, and 2.25 mmol) of thioacetamide (C2H5NOSC2H3, S,) for 10 min. Subsequently, the mixed solution was refluxed at 60 \u00b0C for 12 h, followed by centrifugation and washing with methanol twice more. Finally, the obtained samples were placed in an oven at 60 \u00b0C overnight to remove residual solvent. All the obtained samples were denoted as ZIF-8, SIF-8-A, SIF-8-B, and SIF-8-C, respectively.\nN-C, SIF-8-X (X = A, B, C) synthesis: The obtained ZIF-8, SIF-8-A, SIF-8-B, and SIF-8-C samples (50 mg) were placed in a tube furnace and heated to 1000 \u00b0C at a rate of 2 \u00b0C min^-1 under flowing Ar gas for 3 h. After cooling down to room temperature, the resultant products were collected and placed in a plastic bag for 24 h in a vacuum oven at 120 \u00b0C to evaporate any remaining methanol or water. The obtained materials were denoted as N-C, SIF-8-X (X = A, B, C), respectively.",
+ "ground_truth": "Precursor synthesis: 0.456 mL of Aniline was dispersed ultrasonically in 200 mL 1 M HCl aqueous solution at room temperature for 10 min to obtain a homogenous emulsion. 1.414 g of (NH4)2S2O8 that was dissolved in HCl (1 M, 20 mL) solution was added into the emulsion and stirred at 0 \u00b0C for 24 hours. After the completion of the reaction, the as-obtained polyaniline (PANI) was centrifuged and washed with ethanol three times and dried in vacuum at 70 \u00b0C for overnight.\nSAC synthesis: Zn SAs on CNTs and graphene catalysts were respectively prepared under the same preparation conditions as for Zn SAs/N-C, except for different substrates, which were denoted as Zn SAs/G."
+ },
+ {
+ "id": 25,
+ "sac_id": "Atom: Zn\nSupport Material: CNTs\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Zn\nSupport Material: CNTs\n\n",
+ "predicted": "Precursor synthesis: The CNTs were grown by a floating catalyst method in a horizontal quartz tube furnace. A quartz boat with liquid Fe(CO)5 was placed downstream and another with Arrigton's soot was upstream. After pumping the tube to 1 \u00d7 10^-3 Pa, synthetic conditions were 900 \u00b0C, 60 sccm Ar and 20 mL/min CH4 for 30 min. After growth, the sample was taken out of the tube and quickly immersed into an acid bath (H2SO4 : HNO3 = 3 : 1). The sample was stirred at room temperature for 2 h, then cleaned with deionized water several times and dried in vacuum at 80 \u00b0C overnight.\n\nMP-SEM Synthesis: A MP-SEM system was used to grow the ZnO nanowires on the CNTs. The chamber pressure was kept below 1 \u00d7 10^-4 Torr during the growth process. The voltage applied between the Zn source and the substrate holder was 7 kV. The current of the Zn source was regulated at 10 \u03bcA. The distance between the Zn source and the substrate holder was 100 mm. The growth time was varied from 10 to 60 min.\n\nCP-SEM Synthesis: A CP-SEM system was used to grow the ZnO nanowires on the CNTs. The chamber pressure was kept below 1 \u00d7 10^-4 Torr during the growth process. The voltage applied between the Zn source and the substrate holder was 7 kV. The current of the Zn source was regulated at 10 \u03bcA. The distance between the Zn source and the substrate holder was 100 mm. The growth time was varied from 10 to 60 min.",
+ "ground_truth": "Precursor synthesis: 0.456 mL of Aniline was dispersed ultrasonically in 200 mL 1 M HCl aqueous solution at room temperature for 10 min to obtain a homogenous emulsion. 1.414 g of (NH4)2S2O8 that was dissolved in HCl (1 M, 20 mL) solution was added into the emulsion and stirred at 0 \u00b0C for 24 hours. After the completion of the reaction, the as-obtained polyaniline (PANI) was centrifuged and washed with ethanol three times and dried in vacuum at 70 \u00b0C for overnight.\nSAC synthesis: Zn SAs on CNTs and graphene catalysts were respectively prepared under the same preparation conditions as for Zn SAs/N-C, except for different substrates, which were denoted as Zn SAs/G."
+ },
+ {
+ "id": 26,
+ "sac_id": "Atom: Zn\nSupport Material: Graphene\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Zn\nSupport Material: Graphene\n\n",
+ "predicted": "Precursor synthesis: The Zn-N4C1 was synthesized by a one-pot pyrolysis method. In a typical procedure, 0.8 g of graphene, 0.2 g of urea, and 2 mg of Zn(NO3)2\u00b76H2O were mixed in 5 mL of ethanol under ultrasound for 30 min to get a homogeneous mixture solution. Then the mixture solution was heated at 170 \u00b0C for 12 h to evaporate the solvent. Next, the obtained solid was placed in a quartz tube, which was then transferred into a horizontal tube furnace and heated to 700 \u00b0C for 2 h with a ramp rate of 5 \u00b0C/min under N2 atmosphere. After cooling down to room temperature naturally, the final product Zn-N4C1 was obtained.",
+ "ground_truth": "Precursor synthesis: 0.456 mL of Aniline was dispersed ultrasonically in 200 mL 1 M HCl aqueous solution at room temperature for 10 min to obtain a homogenous emulsion. 1.414 g of (NH4)2S2O8 that was dissolved in HCl (1 M, 20 mL) solution was added into the emulsion and stirred at 0 \u00b0C for 24 hours. After the completion of the reaction, the as-obtained polyaniline (PANI) was centrifuged and washed with ethanol three times and dried in vacuum at 70 \u00b0C for overnight.\nSAC synthesis: Zn SAs on CNTs and graphene catalysts were respectively prepared under the same preparation conditions as for Zn SAs/N-C, except for different substrates, which were denoted as Zn SAs/G."
+ }
+ ],
+ "10.1002_anie.202005282": [
+ {
+ "id": 27,
+ "sac_id": "Atom: Pt\nSupport Material: Graphitic carbon encapsulated titanium dioxide nanorods (TNR@GC)\nSynthesis Method: Photochemical\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Graphitic carbon encapsulated titanium dioxide nanorods (TNR@GC)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 1.0 g of TiCl4 was dissolved in 50 mL of deionized water under ultrasound for 15 min to form a transparent solution. Then, the solution was transferred into a 100 mL Teflon-lined stainless steel autoclave and heated at 200 \u00b0C for 3 h. After cooling down to room temperature naturally, the white precipitate was collected by centrifugation at 8000 rpm for 5 min and washed with deionized water three times. Finally, TNRs were obtained after drying at 60 \u00b0C overnight.\n\nSynthesis of TNR@GC: The graphitic carbon encapsulation on TNRs was carried out using a chemical vapor deposition system. Firstly, the as-prepared TNRs were placed in a quartz boat and annealed at 900 \u00b0C for 2 h in Ar atmosphere to remove residual chlorine. Secondly, methane was introduced into the quartz boat as a carbon source, and carbon encapsulation was performed at 900 \u00b0C for 30 min under Ar flow. After cooling down to room temperature naturally, the powder sample was collected and labeled as TNR@GC.",
+ "ground_truth": "Precursor synthesis: 100 mg TiO2 (P25) powers were added into NaOH aqueous solution (80 ml, 10 M) under magnetic stirring at room temperature for 2 h. The mixture was added to a 100 ml Teflon-lined autoclave and kept at 130 \u00b0C for 24 h. The precipitates were washed by distilled water several times until the pH of the solution reached 7 and dried in a vacuum at 80 \u00b0C for overnight to obtain the titanium dioxide nanorods (TNR). A certain mass ratio (Ti/C=1:3) of glucose and TNR were dissolved in water to form a suspension. The mixed solution was transferred to a Teflon-lined autoclave followed by the second hydrothermal treatment at 180 \u00b0C for 12 h under constant rotating conditions. After the hydrothermal reaction, the products were filtered and dried at 80 \u00b0C for 5 h. Finally, the samples were calcined at 800 \u00b0C for 2 h (in 10% H2/Ar) to obtain the graphite-like graphitic carbon encapsulated titanium dioxide nanorods (TNR@GC).\nSAC synthesis: 15 mg PVP and 20 mg TNR@GC powder were mixed in a 40 ml solution containing H2O (50%) and ethanol (50%) with 12 hours of stirring. H2PtCl6\u00b76H2O solution (75uL, 38.97mM) was injected into the above mixture and stirred for 8 h in the dark. The mixture was irradiated with a narrow band 365 nm ultraviolet light (full width of the half maximum: FWHM ~2nm) for 30 minutes at 30\u00b0C in an argon atmosphere. The resultant slurry was centrifuged and washed in alcohol and DI water four times. Finally, the atomically dispersed Pt was obtained by drying overnight in a vacuum oven at 80 \u00b0C."
+ }
+ ],
+ "10.1002_anie.202007707": [
+ {
+ "id": 28,
+ "sac_id": "Atom: Pd\nSupport Material: \u03b1-MoC\nSynthesis Method: High temperature\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: \u03b1-MoC\n\n",
+ "predicted": "Precursor synthesis: The \u03b1-MoC was prepared by a similar method as reported in the literature. [20] In a typical synthesis, 1 mmol of MoO3, 4 mmol of urea and 5 mg of PdCl2 were mixed and ground uniformly. Then, the mixture was placed into a Teflon-lined stainless steel autoclave and calcined at 180 \u00b0C for 6 h. After cooling down to room temperature, the products were washed with deionized water several times and annealed at 700 \u00b0C for 2 h in a tube furnace. Finally, the \u03b1-MoC was obtained after grinding and removing the impurities (NaCl) by washing with diluted HCl solution.\nSIP Synthesis of \u03b1-MoC@Pd: The \u03b1-MoC@Pd was synthesized by a similar method as reported in the literature. [21] Firstly, 100 mg of \u03b1-MoC was dispersed in 20 mL of ethanol under ultrasound for 1 h. Then, 1 mL of PdCl2 solution (1 mg mL -1 ) was added dropwise into the above solution under vigorous stirring for 2 h. After that, the mixture was centrifuged and dried at 60 \u00b0C overnight. Finally, the product was annealed at 300 \u00b0C for 2 h in a tube furnace.",
+ "ground_truth": "Precursor synthesis: A certain amount of ammonium paramolybdate ((NH4)6Mo7O24\u00b74H2O) was dissolved in deionized water and adjusted to pH 3.7 with citric acid solution to synthesize molybdic acid. The molybdic acid solution was ultrasonicated for 2 h, then recovered by filtration, washing, and vacuum drying at 60\u00b0C overnight. The obtained molybdic acid powder was calcined at 500\u00b0C (heating rate: 2\u00b0C/min) for 4 h in air to synthesize self-made MoO3. The self-made MoO3 was calcined at 700\u00b0C (heating rate: 5\u00b0C/min) for 2 h under NH3 gas mixture (100 mL/min) to get molybdenum nitrides. The gas was switched to CH4/H2 (100 mL/min; 20/80 v/v) after the temperature reached room temperature, and the temperature was increased to 700\u00b0C (heating rate: 5\u00b0C/min) for 2 h to carbonize and obtain \u03b1-MoC. Before taking out, the sample was passivated in 0.5% O2/He gas mixture (20 mL/min) at room temperature.\nSAC synthesis: Pd1/\u03b1-MoC catalysts with different Pd loadings (0.5 wt%, 1 wt%, 2 wt%, and 5 wt%) were synthesized through a temperature-programmed reduction carburization process. The mixture of self-made MoO3 and a certain amount of Pd(NO3)2 in deionized water was stirred for 3 hours, then the Pd/MoO3 precursors were recovered by rotary evaporation. The Pd/MoO3 samples were calcined at 500\u00b0C (heating rate: 2\u00b0C/min) for 4 h in air and carbonized at 700\u00b0C with a programmed temperature process (heating rate: 5\u00b0C/min from 20\u00b0C to 300\u00b0C and 1\u00b0C/min from 300\u00b0C to 700\u00b0C) for 2 h under 20% CH4/H2 gas mixture (100 mL/min). After the carburization process, the samples were cooled to room temperature and passivated in 0.5% O2/He gas mixture (20 mL/min) for 6 h."
+ },
+ {
+ "id": 29,
+ "sac_id": "Atom: Rh\nSupport Material: \u03b1-MoC\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Rh\nSupport Material: \u03b1-MoC\n\n",
+ "predicted": "Precursor synthesis: The \u03b1-MoC support was prepared by a solid-state reaction between MoO3 and C. Specifically, 10 g of MoO3 powder and 2 g of paraffin were mixed thoroughly in an agate mortar. The mixture was then transferred to a crucible and heated at 750 \u00b0C for 4 h with a ramp rate of 5 \u00b0C/min in a muffle furnace. After cooling to room temperature, the obtained black powder was washed with chloroform several times to remove the excess paraffin.\n\nCAT Synthesis: Rh/\u03b1-MoC was prepared using a similar procedure as that for Pt/\u03b1-MoC. Briefly, a certain amount of rhodium acetylacetonate (Rh(acac)) was dissolved in 20 mL of deionized water. The \u03b1-MoC support was added to the solution and stirred for 24 h at room temperature. The mixture was then dried at 80 \u00b0C overnight and calcined at 600 \u00b0C for 4 h under an air atmosphere with a ramp rate of 5 \u00b0C/min. The resulting black powder was reduced in 5% H2/Ar at 300 \u00b0C for 2 h, yielding Rh/\u03b1-MoC.",
+ "ground_truth": "Precursor synthesis: A certain amount of ammonium paramolybdate ((NH4)6Mo7O24\u00b74H2O) was dissolved in deionized water and adjusted to pH 3.7 with citric acid solution to synthesize molybdic acid. The molybdic acid solution was ultrasonicated for 2 h, then recovered by filtration, washing, and vacuum drying at 60\u00b0C overnight. The obtained molybdic acid powder was calcined at 500\u00b0C (heating rate: 2\u00b0C/min) for 4 h in air to synthesize self-made MoO3. The self-made MoO3 was calcined at 700\u00b0C (heating rate: 5\u00b0C/min) for 2 h under NH3 gas mixture (100 mL/min) to get molybdenum nitrides. The gas was switched to CH4/H2 (100 mL/min; 20/80 v/v) after the temperature reached room temperature, and the temperature was increased to 700\u00b0C (heating rate: 5\u00b0C/min) for 2 h to carbonize and obtain \u03b1-MoC. Before taking out, the sample was passivated in 0.5% O2/He gas mixture (20 mL/min) at room temperature.\nSAC synthesis: The synthesis process was the same as that of Pd1/\u03b1-MoC catalysts, except that the precursor was changed to RhCl3."
+ },
+ {
+ "id": 30,
+ "sac_id": "Atom: Ru\nSupport Material: \u03b1-MoC\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ru\nSupport Material: \u03b1-MoC\n\n",
+ "predicted": "Precursor synthesis: The \u03b1-MoC was prepared by a solid-state reaction between MoO3 and C at 1050 \u00b0C for 2 h with a ramping rate of 5 \u00b0C min-1 in an argon atmosphere.\n\nSynthesis of Ru/\u03b1-MoC: The Ru/\u03b1-MoC catalysts were prepared by impregnation method. In a typical procedure, \u03b1-MoC was dispersed in ethanol under ultrasonication for 10 min, then the required amount of RuCl3\u00b7xH2O solution in ethanol was added dropwise to the above suspension under vigorous stirring. After stirring for 2 h at room temperature, the mixture was filtered and washed with ethanol. The obtained solid powder was dried at 80 \u00b0C overnight and then calcined in Ar atmosphere at 400 \u00b0C for 2 h with a heating rate of 5 \u00b0C min-1.",
+ "ground_truth": "Precursor synthesis: A certain amount of ammonium paramolybdate ((NH4)6Mo7O24\u00b74H2O) was dissolved in deionized water and adjusted to pH 3.7 with citric acid solution to synthesize molybdic acid. The molybdic acid solution was ultrasonicated for 2 h, then recovered by filtration, washing, and vacuum drying at 60\u00b0C overnight. The obtained molybdic acid powder was calcined at 500\u00b0C (heating rate: 2\u00b0C/min) for 4 h in air to synthesize self-made MoO3. The self-made MoO3 was calcined at 700\u00b0C (heating rate: 5\u00b0C/min) for 2 h under NH3 gas mixture (100 mL/min) to get molybdenum nitrides. The gas was switched to CH4/H2 (100 mL/min; 20/80 v/v) after the temperature reached room temperature, and the temperature was increased to 700\u00b0C (heating rate: 5\u00b0C/min) for 2 h to carbonize and obtain \u03b1-MoC. Before taking out, the sample was passivated in 0.5% O2/He gas mixture (20 mL/min) at room temperature.\nSAC synthesis: The synthesis process was the same as that of Pd1/\u03b1-MoC catalysts, except that the precursor was changed to RuCl3 and Pd(NO3)2 for the Ru1-Pd1/\u03b1-MoC catalyst."
+ },
+ {
+ "id": 31,
+ "sac_id": "Atom: Pd\nSupport Material: \u03b1-MoC\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: \u03b1-MoC\n\n",
+ "predicted": "Precursor synthesis: The \u03b1-MoC was prepared by a similar method as reported in the literature. [20] In a typical synthesis, 1 mmol of MoO3, 4 mmol of urea and 5 mg of PdCl2 were mixed and ground uniformly. Then, the mixture was placed into a Teflon-lined stainless steel autoclave and calcined at 180 \u00b0C for 6 h. After cooling down to room temperature, the products were washed with deionized water several times and annealed at 700 \u00b0C for 2 h in a tube furnace. Finally, the \u03b1-MoC was obtained after grinding and removing the impurities (NaCl) by washing with diluted HCl solution.\nSIP Synthesis of \u03b1-MoC@Pd: The \u03b1-MoC@Pd was synthesized by a similar method as reported in the literature. [21] Firstly, 100 mg of \u03b1-MoC was dispersed in 20 mL of ethanol under ultrasound for 1 h. Then, 1 mL of PdCl2 solution (1 mg mL -1 ) was added dropwise into the above solution under vigorous stirring for 2 h. After that, the mixture was centrifuged and dried at 60 \u00b0C overnight. Finally, the product was annealed at 300 \u00b0C for 2 h in a tube furnace.",
+ "ground_truth": "Precursor synthesis: A certain amount of ammonium paramolybdate ((NH4)6Mo7O24\u00b74H2O) was dissolved in deionized water and adjusted to pH 3.7 with citric acid solution to synthesize molybdic acid. The molybdic acid solution was ultrasonicated for 2 h, then recovered by filtration, washing, and vacuum drying at 60\u00b0C overnight. The obtained molybdic acid powder was calcined at 500\u00b0C (heating rate: 2\u00b0C/min) for 4 h in air to synthesize self-made MoO3. The self-made MoO3 was calcined at 700\u00b0C (heating rate: 5\u00b0C/min) for 2 h under NH3 gas mixture (100 mL/min) to get molybdenum nitrides. The gas was switched to CH4/H2 (100 mL/min; 20/80 v/v) after the temperature reached room temperature, and the temperature was increased to 700\u00b0C (heating rate: 5\u00b0C/min) for 2 h to carbonize and obtain \u03b1-MoC. Before taking out, the sample was passivated in 0.5% O2/He gas mixture (20 mL/min) at room temperature.\nSAC synthesis: Pd1/\u03b1-MoC catalysts with different Pd loadings (0.5 wt%, 1 wt%, 2 wt%, and 5 wt%) were synthesized through a temperature-programmed reduction carburization process. The mixture of self-made MoO3 and a certain amount of Pd(NO3)2 in deionized water was stirred for 3 hours, then the Pd/MoO3 precursors were recovered by rotary evaporation. The Pd/MoO3 samples were calcined at 500\u00b0C (heating rate: 2\u00b0C/min) for 4 h in air and carbonized at 700\u00b0C with a programmed temperature process (heating rate: 5\u00b0C/min from 20\u00b0C to 300\u00b0C and 1\u00b0C/min from 300\u00b0C to 700\u00b0C) for 2 h under 20% CH4/H2 gas mixture (100 mL/min). After the carburization process, the samples were cooled to room temperature and passivated in 0.5% O2/He gas mixture (20 mL/min) for 6 h."
+ }
+ ],
+ "10.1002_adfm.201700802": [
+ {
+ "id": 32,
+ "sac_id": "Atom: Zn\nSupport Material: BP (Carbon Black)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Zn\nSupport Material: BP (Carbon Black)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 0.1 g of ZnCl2 and 0.3 g of boric acid were dissolved in 5 mL ultrapure water under ultrasonication for 1 h. Then, 1.6 g of cyclohexanone was added into the above solution with stirring at room temperature for 10 min. The mixed solution was transferred to an oiled Teflon-lined autoclave with a capacity of 20 mL and kept at 140 \u00b0C for 8 h. After cooling down to ambient temperature naturally, the obtained product was separated by centrifugation and dried at 70 \u00b0C overnight.\n\nSynthesis: For comparison, ZIF-8 was prepared using the same method except that only 0.1 g of ZnCl2 was used as precursors.\n\nAnnealing: The as-prepared samples were calcined at 900 \u00b0C for 3 h under Ar atmosphere with a ramping rate of 2 \u00b0C/min to obtain Zn-N-C and Ni3P@ZIF-8 nanoparticles.\n\nSonication: Sodium dodecylbenzene sulfonate (SDS, 1 mg mL^-1) was added into the ink solution of Zn-N-C. The mixture was sonicated for 10 min before coating on the working electrode.",
+ "ground_truth": "Precursor synthesis: First, an appropriate amount of carbon black BP with 6 M HNO3 was stirred and refluxed at 80 \u00b0C for several hours. Then the solid was washed several times with large amounts of pure water to remove all the possible residual acid or other impurities by repeated centrifugation and sonication. Then, the refluxed BP without heat-treatment was dried up in vacuum at 50 \u00b0C to act as the carbon source for BP-N in the following experiments. In order to compare with other catalysts, the refluxed BP was pyrolyzed at 900 \u00b0C for 1 h under argon atmosphere and named as purified BP. The refluxed BP without heat-treatment was mixed with an amount of urea (initial mass ratio of BP: urea = 1:10), and the mixtures were pyrolyzed at 900 \u00b0C for 1 h under argon atmosphere after being grounded together. Then the powder was collected and denoted as BP-N. Similarly, BP-Zn was obtained with an initial Zn content of 1% without urea and pyrolyzed at 900 \u00b0C.\nSAC synthesis: Certain amount of BP2000 and Zn(OAC)2\u00b72H2O with 6 M HNO3 was stirred when refluxing at 80 \u00b0C for several hours, then dried up using a rotary evaporator at 50 \u00b0C. The dried powder with urea was mixed and then grounded together with urea in an agate mortar for about half an hour. The obtained sample was then pyrolyzed at 900 \u00b0C for 1 h under argon atmosphere with a flow rate of 80 mL min-1. The final powders were Zn, N-codoped carbon catalysts, and the optimal one (obtained with conditions: 900 \u00b0C for pyrolysis, mass ratio of BP:urea = 1:10, Zn content of 1 wt% in the mixture before pyrolysis) was named as ZnN x /BP."
+ }
+ ],
+ "10.1002_anie.201904058": [
+ {
+ "id": 33,
+ "sac_id": "Atom: Pt\nSupport Material: MOF nanosheets\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: MOF nanosheets\n\n",
+ "predicted": "Precursor synthesis: The MOF-519 nanosheets were prepared according to the previous report. [S1] In a typical synthesis, 20 mg of MOF-519 powders were dispersed in 30 mL of methanol and sonicated for 4 h to obtain the uniform MOF-519 nanosheets. Then, the obtained solution was centrifuged at 8,000 rpm for 5 min to remove the unexfoliated particles.\n\nIn situ synthesis of Pt nanoparticles: 10 mg of exfoliated MOF-519 nanosheets was mixed with 10 mL of H2PtCl6\u00b76H2O (0.7 mM) solution under vigorous stirring for 12 h. Subsequently, the mixture was centrifuged at 8,000 rpm for 5 min to remove the supernatant solution. Then, the precipitate was redispersed in 10 mL of deionized water and treated with ultrasound for 1 h. Finally, the obtained suspension was reduced by NaBH4 (0.1 g) under an Ar atmosphere for 2 h. After washing with deionized water three times, the final product was dried at 60 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: PtCl2 (60 mg, 0.225 mmol) and TCPP (59.5 mg, 0.0753 mmol) were added to a dry round-bottomed 25 mL flask with anhydrous benzonitrile and degassed with a stream of N2 for 20 min. The solution was stirred and refluxed under N2, and then the solvent was removed under vacuum. The crude product was purified with column chromatography on silica gel with CH2Cl2 and hexane as the eluent. Recrystallization from CH2Cl2 / hexane gave Pt(II) porphyrin complex as crystals (40% yield). 1 H NMR (400 MHz, DMSO-d6): \u03b4 13.31 (s, 4H), 8.77 (s, 8H), 8.39 (d, 8H), 8.30 (d, 8H).\nSAC synthesis: Briefly, a mixture of Cu(NO3)2\u00b73H2O (21.6 mg), PtTCPP (23.7 mg), DMF (4.5 mL) and ethanol (1.5 mL) was added into a small capped vial, and heated at 80 \u00b0C for 24 h. The resulting bulk Pt-MOFs were washed twice with ethanol, and then collected by centrifuge at 9,500 r.p.m for 10 min. Finally, the obtained bulk Pt-MOFs were then dried in vacuum overnight."
+ },
+ {
+ "id": 34,
+ "sac_id": "Atom: Pt\nSupport Material: MOF nanosheets\nSynthesis Method: Solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: MOF nanosheets\n\n",
+ "predicted": "Precursor synthesis: The MOF-519 nanosheets were prepared according to the previous report. [S1] In a typical synthesis, 20 mg of MOF-519 powders were dispersed in 30 mL of methanol and sonicated for 4 h to obtain the uniform MOF-519 nanosheets. Then, the obtained solution was centrifuged at 8,000 rpm for 5 min to remove the unexfoliated particles.\n\nIn situ synthesis of Pt nanoparticles: 10 mg of exfoliated MOF-519 nanosheets was mixed with 10 mL of H2PtCl6\u00b76H2O (0.7 mM) solution under vigorous stirring for 12 h. Subsequently, the mixture was centrifuged at 8,000 rpm for 5 min to remove the supernatant solution. Then, the precipitate was redispersed in 10 mL of deionized water and treated with ultrasound for 1 h. Finally, the obtained suspension was reduced by NaBH4 (0.1 g) under an Ar atmosphere for 2 h. After washing with deionized water three times, the final product was dried at 60 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: PtCl2 (60 mg, 0.225 mmol) and TCPP (59.5 mg, 0.0753 mmol) were added to a dry round-bottomed 25 mL flask with anhydrous benzonitrile and degassed with a stream of N2 for 20 min. The solution was stirred and refluxed under N2, and then the solvent was removed under vacuum. The crude product was purified with column chromatography on silica gel with CH2Cl2 and hexane as the eluent. Recrystallization from CH2Cl2 / hexane gave Pt(II) porphyrin complex as crystals (40% yield). 1 H NMR (400 MHz, DMSO-d6): \u03b4 13.31 (s, 4H), 8.77 (s, 8H), 8.39 (d, 8H), 8.30 (d, 8H).\nSAC synthesis: Briefly, a mixture of Cu(NO3)2\u00b73H2O (21.6 mg), PtTCPP (23.7 mg), DMF (4.5 mL) and ethanol (1.5 mL) was added into a small capped vial, and heated at 80 \u00b0C for 24 h. The resulting bulk Pt-MOFs were washed twice with ethanol, and then collected by centrifuge at 9,500 r.p.m for 10 min. Finally, the obtained bulk Pt-MOFs were then dried in vacuum overnight."
+ },
+ {
+ "id": 35,
+ "sac_id": "Atom: Pt\nSupport Material: Bulk MOFs\nSynthesis Method: Solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Bulk MOFs\n\n",
+ "predicted": "Precursor synthesis: The bulk MOF samples were prepared by the same method as reported in the literature. [1] In a typical procedure, 2-methylimidazole (0.6 mmol) was dissolved in 8 mL methanol/dimethylformamide solution (v:v = 1:1), and then 0.4 mmol of D-glucaric acid was added to this solution under ultrasound for 5 min. Subsequently, 0.2 mmol of platinum(II) acetylacetonate was added to the above solution under ultrasound for 5 min. After vigorous stirring at room temperature for 3 h, the mixture was transferred into a 20 mL Teflon-lined stainless steel autoclave and heated at 120 \u00b0C for 24 h. The obtained products were centrifuged and washed with ethanol three times and dried at 70 \u00b0C under vacuum overnight.\n\nMOF synthesis: The bulk MOF samples were prepared by the same method as reported in the literature. [1] In a typical procedure, 2-methylimidazole (0.6 mmol) was dissolved in 8 mL methanol/dimethylformamide solution (v:v = 1:1), and then 0.4 mmol of D-glucaric acid was added to this solution under ultrasound for 5 min. Subsequently, 0.2 mmol of platinum(II) acetylacetonate was added to the above solution under ultrasound for 5 min. After vigorous stirring at room temperature for 3 h, the mixture was transferred into a 20 mL Teflon-lined stainless steel autoclave and heated at 120 \u00b0C for 24 h. The obtained products were centrifuged and washed with ethanol three times and dried at 70 \u00b0C under vacuum overnight.\n\nPt loading measurement: The content of Pt in the Pt-MOF samples was determined using an inductively coupled plasma optical emission spectrometer (ICP-OES). Typically, 0.1 g of the sample was digested with 10 mL HNO3 (65%) and 5 mL HF (40%) at 180 \u00b0C for 24 h. The supernatant was filtered through a 0.45 \u03bcm membrane filter and diluted to 50 mL. The Pt concentration in the sample was measured by ICP-OES.\n\nNMR measurements: All NMR experiments were performed on a Bruker Avance III HD 400 MHz spectrometer (Rheinstetten, Germany) at 25 \u00b0C using a Bruker 1H-13C-15N-31P-29Si double-resonance probehead. 1D 13C CP MAS NMR spectra were acquired with a spinning speed of 45 kHz and a \u03c0/2 pulse width of 5.4 \u03bcs. The recycle delay time was set to 5 s, and the acquisition time was set to 20 ms. A total of 2048 transients were collected for free D-glucaric acid and Pt-loaded D-glucaric acid. The spectral widths were 200 ppm and 100 ppm for the F2 and F1 fields, respectively. The Lorentzian lineshape was applied for all spectra. The 2D 13C-13C CP MAS NMR spectra were acquired with a spinning speed of 15 kHz and a \u03c0/2 pulse width of 10.5 \u03bcs. The recycle delay time was set to 10 s, and the acquisition time was set to 64 ms. A total of 1024 transients were collected for free D-glucaric acid and Pt-loaded D-glucaric acid. The spectral widths were 200 ppm along both F2 and F1 dimensions, and 1024 complex points were sampled along each dimension. The spectral processing was performed using MestReNova software (MestReLab Research, Algete, Spain).\n\nFT-IR analysis: Fourier transform infrared (FT-IR) spectra of the samples were recorded using a PerkinElmer Spectrum One FT-IR spectrophotometer (Waltham, MA, USA) equipped with a diamond attenuated total reflection (ATR) accessory. Each spectrum was collected from 400 to 4000 cm-1 with a resolution of 4 cm-1 and an average of 64 scans.\n\nXPS analysis: X-ray photoelectron spectroscopy (XPS) analyses were carried out on a Thermo ESCALAB Xi+ X-ray photoelectron spectrometer (Thermo Fisher Scientific Inc., Waltham, MA, USA) with a monochromatic Al K\u03b1 X-ray source. Survey XPS spectra were recorded at a pass energy of 180 eV, while high-resolution XPS spectra were recorded at a pass energy of 28 eV. All binding energies were referenced to the C 1s peak of adventitious carbon at 284.8 eV.",
+ "ground_truth": "Precursor synthesis: PtCl2 (60 mg, 0.225 mmol) and TCPP (59.5 mg, 0.0753 mmol) were added to a dry round-bottomed 25 mL flask with anhydrous benzonitrile and degassed with a stream of N2 for 20 min. The solution was stirred and refluxed under N2, and then the solvent was removed under vacuum. The crude product was purified with column chromatography on silica gel with CH2Cl2 and hexane as the eluent. Recrystallization from CH2Cl2 / hexane gave Pt(II) porphyrin complex as crystals (40% yield). 1 H NMR (400 MHz, DMSO-d6): \u03b4 13.31 (s, 4H), 8.77 (s, 8H), 8.39 (d, 8H), 8.30 (d, 8H).\nSAC synthesis: Briefly, a mixture of Cu(NO3)2\u00b73H2O (21.6 mg), PtTCPP (23.7 mg), DMF (4.5 mL) and ethanol (1.5 mL) was added into a small capped vial, and heated at 80 \u00b0C for 24 h. The resulting bulk Pt-MOFs were washed twice with ethanol, and then collected by centrifuge at 9,500 r.p.m for 10 min. Finally, the obtained bulk Pt-MOFs were then dried in vacuum overnight."
+ }
+ ],
+ "10.1002_anie.201602801": [
+ {
+ "id": 36,
+ "sac_id": "Atom: Pt\nSupport Material: Phosphomolybdic acid (PMA)-modified active carbon (AC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Phosphomolybdic acid (PMA)-modified active carbon (AC)\n\n",
+ "predicted": "Precursor synthesis: A 10 g portion of commercial AC was first refluxed in a 50% HNO3 solution for 24 h, followed by thorough washing with deionized water to obtain nitrogen-doped AC (denoted as NAC). Then, NAC was immersed into an H3PMo12O40\u00b720H2O solution (1 \u00d7 10\u22123 m) and heated at 80 \u00b0C for 6 h to achieve the PMA-modified AC (denoted as PA/AC). Finally, PA/AC was immersed into a Pt(Ac)2 solution (1 \u00d7 10\u22123 m) and stirred overnight at room temperature to attain the Pt/PA-modifieD/AC sample.\n|improved||**Main Text:**| The atomically dispersed Pt on phosphomolybdic acid (PMA)-modified active carbon (AC) was successfully prepared via a facile and efficient strategy. Firstly, a 10 g portion of commercial AC was refluxed in a 50% HNO3 solution for 24 h, followed by thorough washing with deionized water to obtain nitrogen-doped AC (denoted as NAC). Subsequently, NAC was immersed into an H3PMo12O40\u00b720H2O solution (1 \u00d7 10\u22123 m) and heated at 80 \u00b0C for 6 h to achieve the PMA-modified AC (denoted as PA/AC). Finally, PA/AC was immersed into a Pt(Ac)2 solution (1 \u00d7 10\u22123 m) and stirred overnight at room temperature to attain the Pt/PA-modified AC sample.",
+ "ground_truth": "Precursor synthesis: 54 \u03bcmol of PMA (0.1 g in 10 mL of acetone). 54 \u03bcmol of Pt(acac)2 (0.021 g in 1 mL acetone). 1 mg Pt content in 1 mL acetone (H2PtCl6\u00b7xH2O). 1 mg Pt content in 1 mL water ((NH3)4Pt(NO3)2).\nSAC synthesis: 100 mg of AC (or PMA/AC) were dispersed in 1 mL H2PtCl6 solution (1 mg Pt content in 1 mL acetone) and sonicated for 5 min at room temperature. The samples were dried in an oven at 60 \u00b0C for 3 h. Afterwards, the pre-catalysts were treated with 5% H2/N2 at 220 \u00b0C (reduction temperature based on TPR result of H2PtCl6-PMA/AC, Figure S16) for 1 h. The same procedures were also applied to the preparation of Pt-PMA/AC-N and Pt/AC-N catalysts. The only change was that water was used as solvent since (NH3)4Pt(NO3)2 is insoluble in acetone."
+ },
+ {
+ "id": 37,
+ "sac_id": "Atom: Pt\nSupport Material: Active carbon (AC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Active carbon (AC)\n\n",
+ "predicted": "Precursor synthesis: 2-Methylimidazole (MeIm) was used as a precursor.\nSynthesis of Pt-AC: A certain amount of commercial active carbon and H2PtCl6 were added to a mortar, ground for about 10 min, and then annealed at 850 \u00b0C in Ar. The mass ratio of the two materials is marked next to each sample.\nPostsynthetic modification: After picking up the samples from the furnace, they were washed with HF (20%) for 24 h to remove any oxides that might have formed on the surface during the heating process. The samples were then washed several times with ultrapure water and dried at 60 \u00b0C under vacuum overnight before characterization.",
+ "ground_truth": "Precursor synthesis: 54 \u03bcmol of PMA (0.1 g in 10 mL of acetone). 54 \u03bcmol of Pt(acac)2 (0.021 g in 1 mL acetone). 1 mg Pt content in 1 mL acetone (H2PtCl6\u00b7xH2O). 1 mg Pt content in 1 mL water ((NH3)4Pt(NO3)2).\nSAC synthesis: 100 mg of AC (or PMA/AC) were dispersed in 1 mL H2PtCl6 solution (1 mg Pt content in 1 mL acetone) and sonicated for 5 min at room temperature. The samples were dried in an oven at 60 \u00b0C for 3 h. Afterwards, the pre-catalysts were treated with 5% H2/N2 at 220 \u00b0C (reduction temperature based on TPR result of H2PtCl6-PMA/AC, Figure S16) for 1 h. The same procedures were also applied to the preparation of Pt-PMA/AC-N and Pt/AC-N catalysts. The only change was that water was used as solvent since (NH3)4Pt(NO3)2 is insoluble in acetone."
+ },
+ {
+ "id": 38,
+ "sac_id": "Atom: Pt\nSupport Material: Active carbon (AC) or PMA-modified active carbon (PMA/AC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Active carbon (AC) or PMA-modified active carbon (PMA/AC)\n\n",
+ "predicted": "Precursor synthesis: The PMA-modified active carbon was prepared by the incipient wetness impregnation method. Typically, 1 g of AC powder was firstly impregnated with 5 mL of H2PtCl6\u00b76H2O aqueous solution (0.08 mol L-1), and then dried at 70 \u00b0C overnight. A mass of PMA was subsequently added into the above mixture, and ground for 30 min until it was uniformly distributed. Subsequently, the obtained powder mixture was calcinated at 400 \u00b0C for 2 h under Ar atmosphere with a ramp rate of 2 \u00b0C min-1. After cooling down to room temperature naturally, the final product (denoted as PMA/AC-xPt, x = 0.05, 0.1, 0.15, 0.2, where x is the mass ratio of Pt to PMA) was obtained.",
+ "ground_truth": "Precursor synthesis: 54 \u03bcmol of PMA (0.1 g in 10 mL of acetone). 54 \u03bcmol of Pt(acac)2 (0.021 g in 1 mL acetone). 1 mg Pt content in 1 mL acetone (H2PtCl6\u00b7xH2O). 1 mg Pt content in 1 mL water ((NH3)4Pt(NO3)2).\nSAC synthesis: 100 mg of AC (or PMA/AC) were dispersed in 1 mL H2PtCl6 solution (1 mg Pt content in 1 mL acetone) and sonicated for 5 min at room temperature. The samples were dried in an oven at 60 \u00b0C for 3 h. Afterwards, the pre-catalysts were treated with 5% H2/N2 at 220 \u00b0C (reduction temperature based on TPR result of H2PtCl6-PMA/AC, Figure S16) for 1 h. The same procedures were also applied to the preparation of Pt-PMA/AC-N and Pt/AC-N catalysts. The only change was that water was used as solvent since (NH3)4Pt(NO3)2 is insoluble in acetone."
+ }
+ ],
+ "10.1002_adma.202002177": [
+ {
+ "id": 39,
+ "sac_id": "Atom: Mo\nSupport Material: N-doped carbon nanotubes (NCNTs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Mo\nSupport Material: N-doped carbon nanotubes (NCNTs)\n\n",
+ "predicted": "Precursor synthesis: ZIF-8 was prepared according to the reported method. [1] In a typical synthesis, 2-methylimidazole (1.96 g) was dissolved in a mixed solution of 20 mL methanol and 40 mL ethanol. Zn(NO3)2\u00b76H2O (1.746 g) was dissolved in another mixed solution of 20 mL methanol and 40 mL ethanol. The above two solutions were then mixed under continuous stirring for 10 s, and the resultant solution was kept for 20 h at room temperature. The purple precipitate was collected by centrifugation at 8000 rpm for 5 min, washed three times with methanol, then dried at 70 \u00b0C in a vacuum oven overnight. The obtained ZIF-8 powder was crushed into fine powder by mortar and pestle.\n\nZIF-8 powder (0.2 g) was mixed with different amounts of NaCl (0.02, 0.04, 0.06, and 0.08 g), KCl (0.02, 0.04, 0.06, and 0.08 g), or RbCl (0.02, 0.04, 0.06, and 0.08 g). The mixture was annealed at 800 \u00b0C for 3 h with a heating rate of 5 \u00b0C min -1 under flowing Ar gas (10 vol.% O2 diluted in Ar). After cooling to room temperature, the black product was collected and denoted as NC-X-Y (X = Na, K, or Rb; Y represents the mass ratio of salt to ZIF-8).\n\nMo source preparation: Elemental molybdenum powder (99.99%, Aladdin Industrial Corporation) was annealed at 800 \u00b0C for 3 h with a heating rate of 5 \u00b0C min -1 under flowing Ar gas. The obtained product was denoted as Mo-800.\n\nNC-X-Y@Mo: NC-X-Y (0.02, 0.04, 0.06, and 0.08 g) was mixed with 0.02 g Mo-800 powder. The mixture was annealed at 800 \u00b0C for 3 h with a heating rate of 5 \u00b0C min -1 under flowing Ar gas. The obtained products were denoted as Mo-NC-X-Y (X = Na, K, or Rb; Y represents the mass ratio of salt to ZIF-8).\n\nMo sources with different molybdenum contents: Elemental molybdenum powders with various amounts (0.008, 0.016, 0.024, and 0.032 g) were annealed at 800 \u00b0C for 3 h with a heating rate of 5 \u00b0C min -1 under flowing Ar gas. The obtained products were denoted as Mo-800-X (X represents the amount of molybdenum powder).\n\nMo-NC-X-Y with different annealing temperatures: NC-X-Y (0.02, 0.04, 0.06, and 0.08 g) was mixed with 0.02 g Mo-800 powder. The mixture was annealed at 600, 700, 800, and 900 \u00b0C for 3 h with a heating rate of 5 \u00b0C min -1 under flowing Ar gas. The obtained products were denoted as Mo-NC-X-Y-T (X = Na, K, or Rb; Y represents the mass ratio of salt to ZIF-8; T represents annealing temperature).\n\nMo-NC-X-Y with different annealing time: NC-X-Y (0.02, 0.04, 0.06, and 0.08 g) was mixed with 0.02 g Mo-800 powder. The mixture was annealed at 800 \u00b0C for 1, 2, 3, 4, and 5 h with a heating rate of 5 \u00b0C min -1 under flowing Ar gas. The obtained products were denoted as Mo-NC-X-Y-t (X = Na, K, or Rb; Y represents the mass ratio of salt to ZIF-8; t represents annealing time).\n\nMo-NC-X-Y with different salts: ZIF-8 (0.2 g) was mixed with different amounts of NaCl (0.02, 0.04, 0.06, and 0.08 g), KCl (0.02, 0.04, 0.06, and 0.08 g), or RbCl (0.02, 0.04, 0.06, and 0.08 g), followed by addition of 0.02 g Mo-800 powder. The mixture was annealed at 800 \u00b0C for 3 h with a heating rate of 5 \u00b0C min -1 under flowing Ar gas. The obtained products were denoted as Mo-NC-X-Y (X = Cl, Na, K, or Rb; Y represents the mass ratio of salt to ZIF-8).\n\nMo-NC-X-Y with different heating rates: NC-X-Y (0.02, 0.04, 0.06, and 0.08 g) was mixed with 0.02 g Mo-800 powder. The mixture was annealed at 800 \u00b0C for 3 h with a heating rate of 5, 10, 20, and 30 \u00b0C min -1 under flowing Ar gas. The obtained products were denoted as Mo-NC-X-Y-r (X = Na, K, or Rb; Y represents the mass ratio of salt to ZIF-8; r represents heating rate).\n\nMo-NC-X-Y with different atmospheres: ZIF-8 (0.2 g) was mixed with different amounts of NaCl (0.02, 0.04, 0.06, and 0.08 g), KCl (0.02, 0.04, 0.06, and 0.08 g), or RbCl (0.02, 0.04, 0.06, and 0.08 g), followed by addition of 0.02 g Mo-800 powder. The mixture was annealed at 800 \u00b0C for 3 h with a heating rate of 5 \u00b0C min -1 under flowing Ar gas, pure Ar gas, or pure O2 gas. The obtained products were denoted as Mo-NC-X-Y@A (X = Cl, Na, K, or Rb; Y represents the mass ratio of salt to ZIF-8; A represents annealing atmosphere).\n\nMo-NC-X-Y with different acid treatments: NC-X-Y (0.02, 0.04, 0.06, and 0.08 g) was mixed with 0.02 g Mo-800 powder. The mixture was annealed at 800 \u00b0C for 3 h with a heating rate of 5 \u00b0C min -1 under flowing Ar gas. The obtained black products were subjected to acid treatment using 0.5 M H2SO4 for 24 h. After washing with deionized water several times, the samples were dried in a vacuum oven at 70 \u00b0C overnight. The obtained products were denoted as Mo-NC-X-Y-AT (X = Na, K, or Rb; Y represents the mass ratio of salt to ZIF-8; AT represents acid treatment).\n\nMo-NC-X-Y with different electrochemical tests: NC-X-Y (0.02, 0.04, 0.06, and 0.08 g) was mixed with 0.02 g Mo-800 powder. The mixture was annealed at 800 \u00b0C for 3 h with a heating rate of 5 \u00b0C min -1 under flowing Ar gas. The obtained black products were used as working electrodes for linear sweep voltammetry (LSV), cyclic voltammetry (CV), and chronopotentiometry (CP) tests in an electrochemical workstation (CHI 660E,",
+ "ground_truth": "Precursor synthesis: 150 mg carbon nanotube (CNT) was dispersed into 40 mL DI water ultrasonically for 1 hour. 3.92 g ammonia molybdate was dissolved into 40 mL DI water under magnetic stirring. The two solutions were mixed together by stirring for another 4 hours at room temperature, followed by centrifugation and drying in the vacuum oven. SAC synthesis: The dried precursor was then put into a tube furnace for post-heating treatments in nitrogen atmosphere. Treatments at the heating temperature of 500 \u00b0C for 1 hour and subsequent at 700 \u00b0C for 4 hours with a ramp of 5 \u00b0C min-1 were employed to synthesize Mo2C/NCNTs."
+ }
+ ],
+ "10.1002_anie.202012798": [
+ {
+ "id": 40,
+ "sac_id": "Atom: Co\nSupport Material: HC (Hierarchical Carbon)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: HC (Hierarchical Carbon)\n\n",
+ "predicted": "Precursor synthesis: The preparation of urea-based polymers was carried out by dissolving urea in water at a concentration of 1.25 mol/L, followed by the addition of metal salts (Co(NO3)2\u00b76H2O) to achieve a Co/urea molar ratio of 0.04. Subsequently, these mixtures were heated at 80 \u00b0C for 4 hours under continuous magnetic stirring. After cooling down to room temperature, the as-obtained samples were collected via centrifugation and vacuum drying at 60\u00b0C for one day.\nMetal-organic framework synthesis: For the preparation of Co-doped hierarchical carbon (Co@HC), the obtained urea-based polymer was subjected to a calcination treatment. Initially, the polymer powder was heated to 700 \u00b0C with a ramp rate of 2 \u00b0C/min and held at this temperature for 1 hour in an N2 atmosphere. The resulting black product was then washed with a 6M HCl solution and deionized water in sequence, followed by drying at 60 \u00b0C for one day.\nCNFET fabrication: A piece of p++ silicon wafer (1 cm \u00d7 1 cm) served as the substrate, on which a 285 nm thick layer of silicon dioxide (SiO2) was deposited as the gate dielectric using wet oxidation. To enhance the surface energy of the SiO2 layer, a 10 min UV ozone treatment was performed. Next, a suspension containing CNFs with a density of 0.09 mg mL\u22121 was dropcasted onto the SiO2 layered substrate and subsequently annealed at 1100 \u00b0C for 1 hour in an N2 atmosphere. After cooling down to room temperature, the CNF network was removed from the substrate surface by gentle peeling. Finally, the Co@HC nanosheets were transferred onto the CNF network by a simple stamping method.\nElectrochemical measurements: All electrochemical measurements were conducted in a three-electrode system with a potentiostat (CHI660E). An Ag/AgCl electrode (3 M KCl) was used as the reference electrode, while a graphite rod served as the counter electrode. Prior to the measurements, the device was immersed in PBS (10 mL) solution for 10 minutes to ensure complete hydration. The electrical characterizations were performed by applying a square waveform with a frequency of 0.05 Hz and a voltage range of \u22120.4 V to +0.4 V. The iontrapping process was executed by applying a constant voltage of \u22120.2 V for 10 s. The charge storage capacity was calculated based on the area enclosed by the hysteresis loop.",
+ "ground_truth": "Precursor synthesis: Zn(NO3)2\u00b76H2O (6 mmol, 1.785 g) and 2-methylimidazole (24 mmol, 1.970 g) were dissolved in 50 mL methanol, respectively. Then, two solutions were mixed with vigorous stirring for 3 min at room temperature. Subsequently, the mixture solution was maintained at 35 \u00b0C for 6 h. The as-prepared precipitates were centrifuged, washed, and dried at 80 \u00b0C. ZnCo-ZIF-68 was synthesized with the same procedure of ZIF-8 except that the extra Co(NO3)2\u00b76H2O (0.06 mmol, 17.5 mg) was added. The as-prepared ZIF-8 (400 mg) powder was dispersed homogeneously in methanol (40 mL) by ultrasonic treatment. Then, 100 mL of the methanol solution containing bis(4-hydroxyphenyl) sulfone (325 mg) and phosphonitrilic chloride trimer (152 mg) was added in the dispersion of ZIF-8 and stirred for 15 min. Subsequently, 1 mL of N,N-diethylethanamine was slowly added into the above dispersion system, followed by stirring for 15 h at room temperature. The resulting precipitate marked as ZIF-8@PZS was collected, washed, and finally dried in vacuum at 80 \u00b0C for 12 h. CoZn-ZIF-68@PZS was prepared with the same synthesis procedure of ZIF-8@PZS except that ZIF-8 was replaced by CoZn-ZIF-68 (400 mg).\nSAC synthesis: For the synthesis of Co1-N4/HC, the CoZn-ZIF-68@PZS was placed in a quartz boat and maintained at 950 \u00b0C for 3 h in a tube furnace with a heating rate of 5 \u00b0C min^-1 under flowing Ar atmosphere. When the sample cooled to room temperature, the Co1-N4/HC sample was collected and used without any post-treatment."
+ }
+ ],
+ "10.1002_anie.202007576": [
+ {
+ "id": 41,
+ "sac_id": "Atom: Pd\nSupport Material: TiO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: TiO2\n\n",
+ "predicted": "Precursor synthesis: The Pd/TiO2 catalysts were prepared by the method reported in our previous work. [1] Typically, 0.5 g of commercial TiO2 (Sigma-Aldrich) was dispersed into 50 mL of deionized water with ultrasonic treatment for 30 min. Then, a certain amount of H2PdCl4 solution (0.6 mol L-1) was added dropwise to the above suspension under vigorous stirring. After impregnation, the sample was dried at 80 \u00b0C overnight and then calcined at 400 \u00b0C for 4 h in air. The resulting sample is denoted as x Pd/TiO2, where x represents the weight percent of Pd to TiO2. The BET surface area of all the catalysts tested in this work is given in Table S1 (ESI).",
+ "ground_truth": "Precursor synthesis: Tetraaminepalladium(II) nitrate (Pd(NH3)4(NO3)2), P25 titanium(IV) oxide (TiO2), Palladium black (Pd), Ammonium hydroxide (NH3\u00b7H2O).\nSAC synthesis: The precatalyst was synthesized via the strong electrostatic adsorption method. TiO2 (0.5 g) was dispersed in 25 mL of water and 75 mL of 28-30% NH3\u00b7H2O in a 250 mL Erlenmeyer flask. In a separate flask, 17.4 \u03bcL of 10 wt. % Pd(NH3)4(NO3)2 was added to 25 mL of 28-30% NH3\u00b7H2O. This solution was introduced to the TiO2 suspension over 12.5 h (2.0 mL h^-1) under stirring (500 rpm). Afterward, the suspension was heated to 70 \u00b0C until solution evaporation with no insulating apparatus (e.g., aluminum foil). The dried cake was transferred to a crucible, followed by calcination at 400 \u00b0C in air for 4 h at 2 \u00b0C min^-1."
+ }
+ ],
+ "10.1002_anie.202004125": [
+ {
+ "id": 42,
+ "sac_id": "Atom: Co\nSupport Material: N-doped porous carbon\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: N-doped porous carbon\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanobenzene and ammonium thiocyanate\nSynthesis: The reaction was carried out in a two-necked round-bottom flask under N2 atmosphere. In the reaction system, 1,4-dicyanobenzene (0.5 mmol) and ammonium thiocyanate (6 mmol) were dispersed in deionized water (30 mL). Then the mixture was heated to 90 \u00b0C by an oil bath with stirring for 8 h. After cooling down to room temperature, the brownish-yellow product was centrifuged and dried under vacuum for 12 h.\nNitrogen-doped carbon material synthesis: Typically, ZIF-8 (200 mg), THF solution of PTH (10 mg/mL, 0.75 mL) and DMF solution of PTH (10 mg/mL, 0.75 mL) were successively added into ethanol (15 mL). The mixture was ultrasonicated for 30 min before being sealed and heated at 60 \u00b0C for 24 h. After that, the sample was centrifuged and dried under vacuum for 12 h. Finally, the obtained powder was calcined at 900 \u00b0C for 3 h under Ar flow. The obtained sample was denoted as ZIF-8@PTC-900.",
+ "ground_truth": "Precursor synthesis: The synthesis method was the same as provided in our previous report. Typically, Co(OAc)2\u00b74H2O (126.8 mg, 0.5 mmol) and 1,10-phenanthroline (3.5 mmol) (Co:phenanthroline = 1:7 molar ratio) were stirred in ethanol (20 mL) for 30 minutes at room temperature. Then Vulcan XC72R carbon (696 mg) was added and the mixture was stirred at 60 \u00b0C for 4 hours with refluxing. The ethanol was removed by a rotary evaporator and dried overnight. The black powder was grinded and transferred into a ceramic crucible for calcination in the oven. The oven was heated to 800 \u00b0C at a rate of 25 \u00b0C per min and held at 800 \u00b0C for 2 h under argon, then cooled to room temperature."
+ },
+ {
+ "id": 43,
+ "sac_id": "Atom: Co\nSupport Material: Vulcan XC72R carbon\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Vulcan XC72R carbon\n\n",
+ "predicted": "Precursor synthesis: 0.14 g of cobalt(II) acetate tetrahydrate (Co(OAc)2\u00b74H2O, 0.56 mmol, Alfa Aesar, Ward Hill, MA, USA) was dissolved in 30 mL of ethanol (Fisher Scientific, Ottawa, ON, Canada). 0.1 g of 1,10-phenanthroline (Phen, Sigma-Aldrich, Mississauga, ON, Canada) was added to the solution and the color changed from colorless to blue. The mixture was stirred for 3 h at room temperature. Carbon support (30 mg of Vulcan XC72R carbon, Cabot Canada Inc., Sydney, NS, Canada) was then added and stirred for an additional 2 h. The solvent was evaporated using a rotary evaporator at 40 \u00b0C. An additional portion of carbon (10 mg) was added to the mixture and stirred overnight. The resulting black mixture was transferred into a 50 mL Teflon-lined autoclave and heated at 80 \u00b0C for 12 h. After cooling down to room temperature, the black product was collected and used as electrocatalyst without further treatment. Control experiments were conducted to optimize the synthesis conditions. For example, the amount of carbon added during the dissolution of the precursors, the stirring time, and the heating temperature all significantly affected the yield and activity of the catalysts. When the carbon was added after the precursors were dissolved in ethanol, the color of the solution did not change to blue, indicating that the formation of the complex was incomplete. Increasing the amount of carbon added after dissolution or extending the stirring time resulted in lower yields of the final products. Higher heating temperatures led to lower activities.",
+ "ground_truth": "Precursor synthesis: The synthesis method was the same as provided in our previous report. Typically, Co(OAc)2\u00b74H2O (126.8 mg, 0.5 mmol) and 1,10-phenanthroline (3.5 mmol) (Co:phenanthroline = 1:7 molar ratio) were stirred in ethanol (20 mL) for 30 minutes at room temperature. Then Vulcan XC72R carbon (696 mg) was added and the mixture was stirred at 60 \u00b0C for 4 hours with refluxing. The ethanol was removed by a rotary evaporator and dried overnight. The black powder was grinded and transferred into a ceramic crucible for calcination in the oven. The oven was heated to 800 \u00b0C at a rate of 25 \u00b0C per min and held at 800 \u00b0C for 2 h under argon, then cooled to room temperature."
+ }
+ ],
+ "10.1002_cnma.202000337": [
+ {
+ "id": 44,
+ "sac_id": "Atom: Cu\nSupport Material: P-doped C3N4 (PCN)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: P-doped C3N4 (PCN)\n\n",
+ "predicted": "Precursor synthesis: Copper acetate monohydrate (Cu(CH3COO)2\u00b7H2O, 99.99%, Sigma Aldrich), Cyanuric chloride (C3Cl6, 98%, Sigma Aldrich), Polyvinylpyrrolidone (PVP, Mw = 58,600, Acros Organics), Sodium hydroxide (NaOH, Peltips A), Sodium borohydride (NaBH4, 99%, Sigma Aldrich), Ethanol (C2H6O, Merck), Nitric acid (HNO3, \u2265 65%, Fluka Chemicals AG), Sulfuric acid (H2SO4, AR, Sinopharm Chemical Reagent Co., Ltd.), Hydrogen peroxide (H2O2, AR, Sinopharm Chemical Reagent Co., Ltd.).\n\nSynthesis of PCN: The preparation process is similar to that of C3N4, except that a certain amount of cyanuric chloride was added into the raw material solution and stirred for 1 h at room temperature. Then the solid product was centrifuged, washed with ethanol several times, and dried at 70 \u00b0C overnight. Finally, the yellow powder was calcined at 550 \u00b0C for 2 h under Ar atmosphere to obtain PCN.",
+ "ground_truth": "Precursor synthesis: 2 ml of a 20 mmol L -1 cupric chloride solution was first added into 20 ml of deionized water that contained 2 g of urea and stirred vigorously for 4 h.\nSAC synthesis: The resulting solution was then placed in an oven and evaporated at 70 \u00b0C for 24 h till a solid mixture was obtained. Subsequently, the mixture was calcined at 550 \u00b0C for 3 h in an Ar atmosphere with a heating rate of 5 \u00b0C min -1. Afterwards, the Cu-SA/PCN catalyst was obtained by grounding the mixture of the resulting yellow powder and 100 mg of NaH2PO2; subsequently, it was annealed at 300 \u2103 for 2 h in Ar gas with a heating rate of 2 \u00b0C min -1."
+ }
+ ],
+ "10.1002_cssc.201801679": [
+ {
+ "id": 45,
+ "sac_id": "Atom: Pd\nSupport Material: N-doped carbon nanotubes (N-CNTs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: N-doped carbon nanotubes (N-CNTs)\n\n",
+ "predicted": "Precursor synthesis: The Pd(acac)2 precursor was used for the deposition of Pd on N-CNTs.\nSynthesis: The N-CNTs were modified with Pd by a simple wet chemistry method using Pd(acac)2 as the precursor. The samples were immersed in a solution containing Pd(acac)2 and 1,10-phenanthroline at different temperatures (4, 35, 60, and 90 \u00b0C) for 1 h. The samples were then rinsed with ethanol and dried under a stream of nitrogen.",
+ "ground_truth": "Precursor synthesis: The synthesis of CNTs and N-CNTs was performed at 700 \uf0b0C using the 62%Fe-8%Ni30%Al2O3 catalyst and 100%\u04212\u041d4 or 60%\u04212H4/40%NH3 mixture by the method reported earlier. [1]\nSAC synthesis: To remove the catalyst from the CNTs and N-CNTs, they were treated with concentrated HCl several times for several weeks at room temperature and then boiled in 2 M HCl for 12 h. After that, the materials were washed with distilled water until no chloride ions were detected in the rinsing liquid. Such a severe treatment reduced the content of initial catalyst to 1-2 wt.%, while the remaining catalyst particles were encapsulated in the carbon framework. The washed samples were dried in an Ar flow at 170 \uf0b0C for 2 hours. To synthesize catalysts by simple incipient wetness impregnation method, a support sample was impregnated with an acetone solution of palladium acetate Pd(OAc)2. After that, the sample was dried in air at 105 \uf0b0C for 8 hours and reduced in a 15%H2/Ar flow for 1 hour at 200 \uf0b0C. The palladium content in the synthesized catalysts, which was estimated by X-ray fluorescence spectroscopy, corresponded to the calculated values."
+ }
+ ],
+ "10.1002_anie.201509241": [
+ {
+ "id": 46,
+ "sac_id": "Atom: Pt\nSupport Material: Titanium Nitride (TiN)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Titanium Nitride (TiN)\n\n",
+ "predicted": "Precursor synthesis: Titanium nitride (TiN) was prepared by the same method as that of Pd/TiO2 described above, except for using TiCl4 instead of Ti(SO4)2.\n\nSupport modification: The support was heated to 500 \u00b0C for 2 h in a H2/Ar (10 vol %) atmosphere and then cooled down to room temperature.\n\nMetal loading: An aqueous solution of chloroplatinic acid (H2PtCl6 * 6H2O) was used as the metal precursor. The amount of Pt varied from 0.1 to 3 wt.%. A certain amount of water was added to the precursor solution, and the resulting mixture was stirred at room temperature for 1 h. Subsequently, an aqueous solution of sodium carbonate (Na2CO3) was added dropwise to the mixture to neutralize it, followed by further stirring for 1 h. After impregnation, the support was separated from excess liquid by filtration, dried at 80 \u00b0C overnight, calcined at 500 \u00b0C for 2 h, and reduced at 200 \u00b0C for 1 h in a flowing H2 gas.",
+ "ground_truth": "Precursor synthesis: TiN nanoparticles (NanoAmor, ~20 nm, 55 m\u00b2/g) were treated with acid to obtain a clean TiN surface. Five hundred milligrams of TiN nanoparticles were added to 20 ml of hydrochloric acid (35.0%, Samchun) followed by sonication for 10 min. The mixture was heated at 65 \u00b0C for 1 h under a nitrogen atmosphere and cooled to room temperature. The acid-treated TiN nanoparticles were collected by centrifugation, washed with deionized water (18.3 M \u03a9\u00b7cm, Human Power II + Scholar), and dried in a vacuum oven at 50 \u00b0C for 4 h. The TiN supports were ground well prior to Pt deposition.\n\nSAC synthesis: Various weight percentages of Pt were deposited onto acid-treated TiN nanoparticles (NanoAmor, ~20nm, 55m\u00b2/g) using an incipient wetness impregnation (IWI) method. Appropriate amounts of H2PtCl6\u00b76H2O (Sigma-Aldrich) were dissolved in 35 \u03bcl of anhydrous ethanol (Sigma-Aldrich). The Pt precursor solution was finely mixed with 50 mg of acid-treated TiN nanoparticles, followed by drying in a vacuum oven at 50 \u00b0C. The resulting powders were mildly reduced at 100 \u00b0C for 1 h under a 10 vol% H2 flow (with balance N2) at a flow rate of 200 sccm. The powders were washed, centrifuged with anhydrous ethanol several times, and dried in a vacuum oven at 50 \u00b0C. For comparison, Pt nanoparticles were deposited on acid-treated TiN using the ethylene glycol (EG) method (5 wt%, denoted as Pt NP/TiN) according to our previously reported protocol. [S1] Pt/C (20 wt%, Johnson Matthey) was also used for comparison. The actual Pt percentages in the catalysts were measured by inductively coupled plasma optical emission spectrometer (ICP-OES 720, Agilent)."
+ }
+ ],
+ "10.1002_smll.201903668": [
+ {
+ "id": 47,
+ "sac_id": "Atom: Co\nSupport Material: Graphene oxide aerogel (GOA)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Graphene oxide aerogel (GOA)\n\n",
+ "predicted": "Precursor synthesis: GO suspension was prepared by the modified Hummers' method. [24] Typically, 5 g of GO was dispersed in 100 mL deionized water under ultrasonication for 30 min to obtain GO suspension (1 mg mL -1 ).\n\nGOA preparation: GOA was prepared through freeze-drying and carbonization processes. Firstly, the mixture of GO suspension (6 mL), ethylene glycol (EG, 30 mL), and hydrochloric acid (2 mol L -1, 780 \u03bcL) was subjected to ultra-strong storm ultrasound treatment for 9 h. The resulting suspension was then transferred into a freezer (- 60 \u00b0C) for overnight to allow the slow crystallization of ice crystals, followed by freeze-drying for 48 h. The as-obtained powder was placed in a tube furnace and heated at 700 \u00b0C with a heating rate of 5 \u00b0Cmin -1 for 3 h under Ar gas flow. After naturally cooling to room temperature, the black GOA was obtained.\n\nCo-GOA preparation: The Co-GOA was prepared via electrostatic self-assembly process. Briefly, 200 mg GOA was dispersed in 100 mL deionized water by sonication for 30 min. Then, 20 mL Co(NO3)2 solution (1 mg mL -1 ) was added dropwise into the above solution under vigorous stirring for 24 h. Subsequently, the mixture was centrifuged and washed with deionized water three times, followed by freeze-drying for 48 h. Finally, the Co-GOA was obtained.\n\nElectrochemical measurements: A three-electrode system was used for the electrochemical tests, in which Co-GOA was employed as the working electrode, an Ag/AgCl electrode served as the reference electrode, and a carbon rod acted as the counter electrode. Cyclic voltammetry (CV) tests were performed in 1.0 m KOH solution with a scan rate of 10 mV s -1. EIS tests were conducted within a frequency range from 100 kHz to 0.05 Hz with a superimposed AC amplitude of 5 mV. The ORR polarization curves were measured in O2-saturated 0.1 m H2SO4 solution using CV at a rotation rate of 1000 rm -1. All electrochemical measurements were carried out using an electrochemical workstation (CHI660E, Shanghai Chenhua Instruments Co., Ltd.).",
+ "ground_truth": "Precursor synthesis: GO was prepared from natural flake graphite powder following a modified Hummer's method.\nSAC synthesis: CoSA-NGA was prepared by the same process using CoCl2\u00b76H2O. In a typical process, a certain amount of 3 mg mL^-1 CoCl2\u00b76H2O and 15 \u00b5L of 30% H2O2 were added to 10 mL of 2 mg mL^-1 GO suspension under gentle agitation for 1 h. After that, a patch of MF was immersed in the above mixed suspension, and then dried in an oven. The GO-wrapped MF was placed in a tube furnace and annealed at 900 \u00b0C (700, 800, and 1000 \u00b0C) for 1 h under Ar atmosphere (80 sccm). Finally, the obtained black aerogel was noted as CoSA-NGA."
+ },
+ {
+ "id": 48,
+ "sac_id": "Atom: Ni\nSupport Material: Graphene oxide aerogel (GOA)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Graphene oxide aerogel (GOA)\n\n",
+ "predicted": "Precursor synthesis: GO suspension was prepared by the modified Hummers' method. Typically, 2 g melamine and 100 mg NiCl2 was added into 50 mL GO suspension under stirring until melamine was completely dissolved. Then, the mixture was transferred to Teflon-lined autoclave at 180 \u00b0C for 16 h. After cooling naturally, the product was washed with deionized water and ethanol to obtain Ni-melem.\n\nSynthesis of Ni-MOF/GOA: A piece of Ni-melem was put in a porcelain boat and heated up at 350 \u00b0C with a ramp of 3 \u00b0C min-1 for 4 h in Ar atmosphere to obtain Ni-melem powder. Then, 0.1 g Ni-melem powder was ultrasonically dispersed in 20 mL ethanol. After 30 min stirring, the mixed solution was dispersed into 20 mL GO suspension with 0.1 g GO under stirring. The mixture was freeze dried for 72 h to get a foam. Finally, the foam was pyrolyzed at 900 \u00b0C with a ramp of 5 \u00b0C min-1 for 2 h under Ar atmosphere, followed by cooling naturally to room temperature.",
+ "ground_truth": "Precursor synthesis: GO was prepared from natural flake graphite powder following a modified Hummer's method.\nSAC synthesis: In a typical process, a certain amount of 3 mg mL^-1 NiCl2\u00b76H2O and 15 \u00b5L of 30% H2O2 were added to 10 mL of 2 mg mL^-1 GO suspension under gentle agitation for 1 h. After that, a patch of MF was immersed in the above mixed suspension, and then dried in an oven. The GO-wrapped MF was placed in a tube furnace and annealed at 900 \u00b0C (700, 800, and 1000 \u00b0C) for 1 h under Ar atmosphere (80 sccm). Finally, the obtained black aerogel was noted as NiSA-NGA."
+ },
+ {
+ "id": 49,
+ "sac_id": "Atom: Fe\nSupport Material: Graphene oxide aerogel (GOA)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Graphene oxide aerogel (GOA)\n\n",
+ "predicted": "Precursor synthesis: GO suspension was prepared by the modified Hummers' method. Typically, 20 g melamine was placed in a porcelain boat and annealed at 550 \u00b0C for 3 h with a heating rate of 5 \u00b0C/min under N2 atmosphere. The anneled melamine powder was mixed with 180 mL H2SO4 and dispersed for 30 min by sonication to prepare M-SO4 solution. Then, 6 g NaBH4 was added into the M-SO4 solution and stirred for 30 min, followed by being sonicated for another 30 min. After filtration and washing with water, the obtained black powder was dispersed in 500 mL H2O, followed by adding 7.5 mL HCl and stirring for 30 min. After sonication for 30 min and centrifugation, the obtained brown powder was dried as M-H2O. In a typical procedure, 1.5 g M-H2O was dispersed in 100 mL H2O, followed by adding 1.92 g PVP, 1.2 g formaldehyde, and 0.6 g DCDA. The mixture was stirred for 3 h and then transferred to a Teflon-lined autoclave and maintained at 100 \u00b0C for 12 h. After cooling naturally, the product was washed with ethanol and water several times and dried at 60 \u00b0C overnight. The obtained brown powder was calcinated at 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C/min under Ar atmosphere to obtain C-M-C. For comparison, carbonized M-H2O was named as C-H2O.\n\nSynthesis of GOA-supported metal precursors: GOA was prepared according to previous work. [2] Typically, 100 mg GO powder was dispersed in 10 mL H2O, followed by adding 10 mL H2O2 and stirring for 1 h. After sonication for 30 min and filtration, the obtained light yellow powder was dried at 60 \u00b0C overnight. The obtained powder was mixed with 0.5 g gelatin and 0.5 g DCDA, followed by sonication for 30 min. After drying at room temperature, the mixture was ground to form a uniform mixture. The mixture was pyrolyzed at 800 \u00b0C for 2 h with a heating rate of 5 \u00b0C/min under Ar atmosphere. The obtained black powder was soaked in 4 M NaOH aqueous solution for 24 h, followed by washing with DI water until neutral pH. After freeze-drying, GOA was obtained. The obtained GOA was mixed with 0.5 g C-M-C, followed by sonication for 30 min. After freezing and freeze-drying, GOA-C-M-C was obtained.\n\nSintering of GOA-C-M-C: GOA-C-M-C powder was put into a tube furnace and sintered at 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C/min under Ar atmosphere.",
+ "ground_truth": "Precursor synthesis: GO was prepared from natural flake graphite powder following a modified Hummer's method.\nSAC synthesis: FeSA-NGA was prepared by the same process using FeCl3\u00b76H2O. In a typical process, a certain amount of 3 mg mL^-1 FeCl3\u00b76H2O and 15 \u00b5L of 30% H2O2 were added to 10 mL of 2 mg mL^-1 GO suspension under gentle agitation for 1 h. After that, a patch of MF was immersed in the above mixed suspension, and then dried in an oven. The GO-wrapped MF was placed in a tube furnace and annealed at 900 \u00b0C (700, 800, and 1000 \u00b0C) for 1 h under Ar atmosphere (80 sccm). Finally, the obtained black aerogel was noted as FeSA-NGA."
+ }
+ ],
+ "10.1002_anie.202008422": [
+ {
+ "id": 50,
+ "sac_id": "Atom: Zn\nSupport Material: 1D carbon nanotube (CNT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Zn\nSupport Material: 1D carbon nanotube (CNT)\n\n",
+ "predicted": "Precursor synthesis: The CNTs were outermostly wrapped by Zn atoms through a simple annealing process.\n|",
+ "ground_truth": "Precursor synthesis: In a typical procedure, 10 g graphene (XFNANO, Co., Ltd.) was refluxed with a mixture of concentrated sulfuric acid (450 mL, 98% H2SO4) and nitric acid (150 mL, 70% HNO3) at 120 \u00b0C for 24 hours. Then, the mixture was cooled down to the room temperature and diluted with deionized water (1200 mL). The final product solution was dialyzed in a dialysis bag (molecular mass of 500 Da) for 5 days, followed by freeze drying.\nSAC synthesis: 10 ml of Zn(NO3)2 (2 mg mL -1 , Sinopharm Chemical Reagent Co., Ltd, China) aqueous solution was added by dropwise into GQD (50 mL; 1 mg mL -1 ) solution under sonication for 10 minutes. Then 100 mg of vertically aligned ultralong carbon nanotube (XFNANO Co., Ltd.) was added into the GQD solution. The resulted solution was stirred overnight to ensure a full adsorption of Zn 2+ on the CNT, followed by a rapid freezing in liquid nitrogen. The freeze-dried precursor was heated at the rate of 20 \u00b0C min -1 to 500 \u00b0C under a mixed gas flow of 500 sccm Ar and 200 sccm NH3. The precursor was annealed for 60 minutes at 500 \u00b0C, followed by cooling to room temperature under a flow of 500 sccm Ar."
+ },
+ {
+ "id": 51,
+ "sac_id": "Atom: Cu\nSupport Material: 1D carbon nanotube (CNT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: 1D carbon nanotube (CNT)\n\n",
+ "predicted": "Precursor synthesis: Copper acetate monohydrate (0.2 mmol), 1,4-dicyanobenzene (1.0 mmol), and benzoic acid (5.0 mmol) were mixed and heated at 120 \u00b0C for 4 h under N2 atmosphere. After cooling down to room temperature, the resulting product was recrystallized in toluene/ethanol mixture (v/v = 3:1).\n\nSynthesis of CNT-PDA: A cleaned piece of CNT substrate (1 cm \u00d7 3 cm) was immersed into the as-prepared PDA solution with continuous stirring overnight. After washing with DI water and ethanol, the obtained sample was dried at 60 \u00b0C for 12 h.\n\nElectrodeposition of Cu NWs: The as-prepared CNT-PDA substrate was used as the working electrode, while a piece of copper foil (2 cm \u00d7 3 cm) and an Ag/AgCl electrode were used as the counter and reference electrodes, respectively. Electrochemical deposition was conducted by cyclic voltammetry from -0.7 V to 0.1 V at a scan rate of 5 mV s-1 for three cycles. After washing with DI water and ethanol, the obtained samples were dried at 60 \u00b0C for 12 h.\n\nAnnealing: The as-prepared Cu NWs-CNT substrate was annealed at 800 \u00b0C for 2 h under Ar atmosphere.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, 10 g graphene (XFNANO, Co., Ltd.) was refluxed with a mixture of concentrated sulfuric acid (450 mL, 98% H2SO4) and nitric acid (150 mL, 70% HNO3) at 120 \u00b0C for 24 hours. Then, the mixture was cooled down to the room temperature and diluted with deionized water (1200 mL). The final product solution was dialyzed in a dialysis bag (molecular mass of 500 Da) for 5 days, followed by freeze drying.\nSAC synthesis: 10 ml of CuCl2 \u00b7 2H2O (2 mg mL -1 , Sinopharm Chemical Reagent Co., Ltd, China) aqueous solution was added by dropwise into GQD (50 mL; 1 mg mL -1 ) solution under sonication for 10 minutes. Then 100 mg of vertically aligned ultralong carbon nanotube (XFNANO Co., Ltd.) was added into the GQD solution. The resulted solution was stirred overnight to ensure a full adsorption of Cu 2+ on the CNT, followed by a rapid freezing in liquid nitrogen. The freeze-dried precursor was heated at the rate of 20 \u00b0C min -1 to 500 \u00b0C under a mixed gas flow of 500 sccm Ar and 200 sccm NH3. The precursor was annealed for 60 minutes at 500 \u00b0C, followed by cooling to room temperature under a flow of 500 sccm Ar."
+ },
+ {
+ "id": 52,
+ "sac_id": "Atom: Ni\nSupport Material: 1D carbon nanotube (CNT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: 1D carbon nanotube (CNT)\n\n",
+ "predicted": "Precursor synthesis: The CNTs were outermostly purified by using acid washing with HCl and further washed with DI water for several cycles to remove metallic impurities and unstable molecules. After that, the CNTs were treated with a strong oxidizing agent sodium dichromate (Na2Cr2O7) in an acidic medium (H2SO4) to create more oxygen-containing functional groups on the surface of CNTs.\n\nSAC Synthesis: In a typical procedure, 0.5 g of purified and oxidized CNTs were dispersed in a mixture solution containing 15 mL of deionized water and 3 mL of ethanol followed by ultrasonication for 1 h. Then, 0.6 g of L-histidine and 0.8 g of nickel acetylacetonate (Ni(acac)) were added into the above solution and stirred for 2 h until it became a homogeneous slurry. After drying at 80 \u00b0C overnight, the collected powder was annealed under Ar gas at 800 \u00b0C for 2 h with a heating rate of 5 \u00b0C min -1. The resulting powder was washed with diluted hydrochloric acid and deionized water to remove unstable species. Finally, after drying at 60 \u00b0C for 12 h, the desired product was obtained.\n\nElectrochemical Measurements: The electrocatalytic performance of the as-prepared samples was evaluated by using a CHI 760E electrochemical workstation with a three-electrode system. A rotating disk electrode (RDE) was used to evaluate the activity of the samples towards ORR. Before the test, the working electrode (WE), the counter electrode (CE), and the reference electrode (RE) were polished carefully. For the ORR measurement, the working electrode is 5 \u03bcL dropcasted onto the WE, the electrolyte poured on the sample, and the potential scanned from 0.95 V to -0.5 V vs RHE with 50 mV s -1 scan rate.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, 10 g graphene (XFNANO, Co., Ltd.) was refluxed with a mixture of concentrated sulfuric acid (450 mL, 98% H2SO4) and nitric acid (150 mL, 70% HNO3) at 120 \u00b0C for 24 hours. Then, the mixture was cooled down to the room temperature and diluted with deionized water (1200 mL). The final product solution was dialyzed in a dialysis bag (molecular mass of 500 Da) for 5 days, followed by freeze drying.\nSAC synthesis: 10 ml of NiCl2 \u00b7 6H2O (2 mg mL -1 , Sinopharm Chemical Reagent Co., Ltd, China) aqueous solution was added by dropwise into GQD (50 mL; 1 mg mL -1 ) solution under sonication for 10 minutes. Then 100 mg of vertically aligned ultralong carbon nanotube (XFNANO Co., Ltd.) was added into the GQD solution. The resulted solution was stirred overnight to ensure a full adsorption of Ni 2+ on the CNT, followed by a rapid freezing in liquid nitrogen. The freeze-dried precursor was heated at the rate of 20 \u00b0C min -1 to 500 \u00b0C under a mixed gas flow of 500 sccm Ar and 200 sccm NH3. The precursor was annealed for 60 minutes at 500 \u00b0C, followed by cooling to room temperature under a flow of 500 sccm Ar."
+ },
+ {
+ "id": 53,
+ "sac_id": "Atom: Co\nSupport Material: 1D carbon nanotube (CNT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: 1D carbon nanotube (CNT)\n\n",
+ "predicted": "Precursor synthesis: The CNTs were outgassed in a tubular furnace at 900 \u00b0C for 2 h under Ar flow. Prior to metal deposition, the CNTs were cleaned by immersion in concentrated HCl (37 wt%) at 80 \u00b0C for 24 h, repeated several times until the supernatant became colorless. The CNTs were then washed with DI water and ethanol, and dried in air.\nMetal deposition: A two-electrode setup was used for EPD of metals on CNTs. An AC voltage of 5 Vpp was applied between the CNTs and the metal electrode (Co, Cu, Ni, Pt, or Au). Simultaneously, the metal precursor solution (Co(NO3)2\u00b76H2O dissolved in ethanol) was added to the receptor side of the EPD cell (the side where the CNTs are located). After EPD, the samples were washed with ethanol.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, 10 g graphene (XFNANO, Co., Ltd.) was refluxed with a mixture of concentrated sulfuric acid (450 mL, 98% H2SO4) and nitric acid (150 mL, 70% HNO3) at 120 \u00b0C for 24 hours. Then, the mixture was cooled down to the room temperature and diluted with deionized water (1200 mL). The final product solution was dialyzed in a dialysis bag (molecular mass of 500 Da) for 5 days, followed by freeze drying.\nSAC synthesis: 10 ml of CoCl2 \u00b7 6H2O (2 mg mL -1 , Sinopharm Chemical Reagent Co., Ltd, China) aqueous solution was added by dropwise into GQD (50 mL; 1 mg mL -1 ) solution under sonication for 10 minutes. Then 100 mg of vertically aligned ultralong carbon nanotube (XFNANO Co., Ltd.) was added into the GQD solution. The resulted solution was stirred overnight to ensure a full adsorption of Co 2+ on the CNT, followed by a rapid freezing in liquid nitrogen. The freeze-dried precursor was heated at the rate of 20 \u00b0C min -1 to 500 \u00b0C under a mixed gas flow of 500 sccm Ar and 200 sccm NH3. The precursor was annealed for 60 minutes at 500 \u00b0C, followed by cooling to room temperature under a flow of 500 sccm Ar."
+ },
+ {
+ "id": 54,
+ "sac_id": "Atom: Mn\nSupport Material: 1D carbon nanotube (CNT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Mn\nSupport Material: 1D carbon nanotube (CNT)\n\n",
+ "predicted": "Precursor synthesis: The Mn precursor was loaded onto CNT by a simple wet impregnation method. In detail, the CNT was dispersed in deionized water and stirred for 24 h at room temperature. Subsequently, the desired amount of Mn precursor was added to the CNT suspension and stirred overnight at room temperature. The suspension was then dried at 70 \u00b0C for 12 h.\n\nCNF-Mn preparation: The as-obtained powder of dried CNT loaded with the Mn precursor was calcined under an Ar flow (100 mL min\u22121) at a temperature of 800 \u00b0C for 2 h with a heating rate of 5 \u00b0C min\u22121. After cooling down to room temperature, the product was leached in 2 M HCl solution at 80 \u00b0C for 12 h to remove metal oxides. Finally, the sample was washed thoroughly with distilled water and ethanol and dried at 60 \u00b0C overnight.\n\nElectrochemical measurements: A three-electrode system was used for electrochemical measurements, where CNF-Mn was used as the working electrode, Ag/AgCl electrode (in saturated KCl solution) was used as the reference electrode, and carbon fabric was used as the counter electrode. The working potentials were converted to the RHE scale using the equation E(V vs RHE) = E(V vs Ag/AgCl) + 0.197 V + 0.0591 pH V.(RHE).",
+ "ground_truth": "Precursor synthesis: In a typical procedure, 10 g graphene (XFNANO, Co., Ltd.) was refluxed with a mixture of concentrated sulfuric acid (450 mL, 98% H2SO4) and nitric acid (150 mL, 70% HNO3) at 120 \u00b0C for 24 hours. Then, the mixture was cooled down to the room temperature and diluted with deionized water (1200 mL). The final product solution was dialyzed in a dialysis bag (molecular mass of 500 Da) for 5 days, followed by freeze drying.\nSAC synthesis: 10 ml of MnCl2 \u00b7 4H2O (2 mg mL -1 , Sinopharm Chemical Reagent Co., Ltd, China) aqueous solution was added by dropwise into GQD (50 mL; 1 mg mL -1 ) solution under sonication for 10 minutes. Then 100 mg of vertically aligned ultralong carbon nanotube (XFNANO Co., Ltd.) was added into the GQD solution. The resulted solution was stirred overnight to ensure a full adsorption of Mn 2+ on the CNT, followed by a rapid freezing in liquid nitrogen. The freeze-dried precursor was heated at the rate of 20 \u00b0C min -1 to 500 \u00b0C under a mixed gas flow of 500 sccm Ar and 200 sccm NH3. The precursor was annealed for 60 minutes at 500 \u00b0C, followed by cooling to room temperature under a flow of 500 sccm Ar."
+ },
+ {
+ "id": 55,
+ "sac_id": "Atom: Fe\nSupport Material: 1D carbon nanotube (CNT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: 1D carbon nanotube (CNT)\n\n",
+ "predicted": "Precursor synthesis: Iron pentacarbonyl (Fe(CO)5) was used as the metal precursor.\nSupport Material Synthesis: 1D carbon nanotube (CNT) was used as the support material. The support was mixed with the metal precursor and calcined at high temperature to form the heterogeneous catalyst.\nHeterogeneous catalyst synthesis: The process involved the decomposition of iron pentacarbonyl on the 1D carbon nanotube (CNT) support at high temperature to form the heterogeneous catalyst.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, 10 g graphene (XFNANO, Co., Ltd.) was refluxed with a mixture of concentrated sulfuric acid (450 mL, 98% H2SO4) and nitric acid (150 mL, 70% HNO3) at 120 \u00b0C for 24 hours. Then, the mixture was cooled down to the room temperature and diluted with deionized water (1200 mL). The final product solution was dialyzed in a dialysis bag (molecular mass of 500 Da) for 5 days, followed by freeze drying.\nSAC synthesis: 10 ml of FeCl3 \u00b7 6H2O (2 mg mL -1 , Sinopharm Chemical Reagent Co., Ltd, China) aqueous solution was added by dropwise into GQD (50 mL; 1 mg mL -1 ) solution under sonication for 10 minutes. Then 100 mg of vertically aligned ultralong carbon nanotube (XFNANO Co., Ltd.) was added into the GQD solution. The resulted solution was stirred overnight to ensure a full adsorption of Fe 3+ on the CNT, followed by a rapid freezing in liquid nitrogen. The freeze-dried precursor was heated at the rate of 20 \u00b0C min -1 to 500 \u00b0C under a mixed gas flow of 500 sccm Ar and 200 sccm NH3. The precursor was annealed for 60 minutes at 500 \u00b0C, followed by cooling to room temperature under a flow of 500 sccm Ar."
+ },
+ {
+ "id": 56,
+ "sac_id": "Atom: Cr\nSupport Material: 1D carbon nanotube (CNT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cr\nSupport Material: 1D carbon nanotube (CNT)\n\n",
+ "predicted": "Precursor synthesis: The CNTs were used as support without any precursor synthesis step.\nSupport Synthesis: The CNTs were functionalized with H2SO4 and HF to remove surface impurities and create defects, respectively.\nElectrodeposition: An electrolyte solution containing 0.5 M CrCl3\u00b76H2O and 50 mM ethylene glycol was prepared. A three-electrode system was set up, where the functionalized CNTs, Pt foil, and Ag/AgCl electrode were used as working electrode, counter electrode, and reference electrode, respectively. The deposition of Cr was carried out by cyclic voltammetry in the electrolyte at a potential range from -0.7 V to -0.2 V for 500 cycles at room temperature.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, 10 g graphene (XFNANO, Co., Ltd.) was refluxed with a mixture of concentrated sulfuric acid (450 mL, 98% H2SO4) and nitric acid (150 mL, 70% HNO3) at 120 \u00b0C for 24 hours. Then, the mixture was cooled down to the room temperature and diluted with deionized water (1200 mL). The final product solution was dialyzed in a dialysis bag (molecular mass of 500 Da) for 5 days, followed by freeze drying.\nSAC synthesis: 10 ml of CrCl3 \u00b7 6H2O (2 mg mL -1 , Sinopharm Chemical Reagent Co., Ltd, China) aqueous solution was added by dropwise into GQD (50 mL; 1 mg mL -1 ) solution under sonication for 10 minutes. Then 100 mg of vertically aligned ultralong carbon nanotube (XFNANO Co., Ltd.) was added into the GQD solution. The resulted solution was stirred overnight to ensure a full adsorption of Cr 3+ on the CNT, followed by a rapid freezing in liquid nitrogen. The freeze-dried precursor was heated at the rate of 20 \u00b0C min -1 to 500 \u00b0C under a mixed gas flow of 500 sccm Ar and 200 sccm NH3. The precursor was annealed for 60 minutes at 500 \u00b0C, followed by cooling to room temperature under a flow of 500 sccm Ar."
+ }
+ ],
+ "10.1002_adma.201604571": [
+ {
+ "id": 57,
+ "sac_id": "Atom: Pd\nSupport Material: Ultrathin gold nanowires with a monolayer of silver (Au@Ag ML)\nSynthesis Method: Solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: Ultrathin gold nanowires with a monolayer of silver (Au@Ag ML)\n\n",
+ "predicted": "Precursor synthesis: The citrate-stabilized Au NWs were synthesized by the modified seed-mediated growth method reported in previous studies. [1] 5 nm diameter Au seeds were first prepared by reduction of HAuCl4 in the presence of poly(vinyl pyrrolidone) (PVP, Mw = 2600). The seed solution (1 mL, 3 \u00d7 10-4 m) was mixed with 100 mL of 0.08 M HAuCl4 and stirred for 1 h to ensure homogeneity. Then, 2 mL of 0.1 m NaBH4 was added dropwise into the solution while stirring vigorously. After 10 min, the seed solution (10 mL) was added to the above mixture. After another 1 h, the final Au NWs were collected by centrifugation at 7000 rpm for 10 min, washed three times with water, and stored in a refrigerator at 4 \u00b0C until use.\n\nSynthesis: The Au@Ag ML was fabricated using a previously described method. [2] Briefly, 10 mg of Au@Ag core-shell was dispersed in 90 mL of deionized water containing 0.01 M NaOH. Then, 1 mL of 0.1 M NaBH4 was added to the solution, followed by ultrasonication for 10 min. Subsequently, 1 mL of 0.01 M AgNO3 was introduced into the solution under sonication for 1 h. Finally, the product was collected by centrifugation at 10,000 rpm for 10 min, washed three times with water, and stored in a refrigerator at 4 \u00b0C until use.",
+ "ground_truth": "Precursor synthesis: Na2PdCl4 and AgNO3 solutions were used as precursors for Pd and Ag, respectively. KBH4 in the fresh synthesized Au NWs dispersion is sufficient to reduce the stepwise added metal salts, including AgNO3, Na2PdCl4, and Pd(NO3)2. Na2PdCl4 was chosen over Pd(NO3)2 for the synthesis of Pd layer because Pd(NO3)2 forms small Pd clusters as by-products.\nSAC synthesis: 0.19, 0.375, 0.75, 1.50, or 3.0 mL of ice-cold 1.0 \u00d7 10^-3 m Na2PdCl4 solution was added into 10.0 mL dispersion of freshly synthesized Au NWs dropwise while stirring. The Pd coverage is 1/16, 1/8, 1/4, 1/2, or 1.0 ML, respectively."
+ },
+ {
+ "id": 58,
+ "sac_id": "Atom: Pd\nSupport Material: Ultrathin gold nanowires (Au NWs)\nSynthesis Method: Solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: Ultrathin gold nanowires (Au NWs)\n\n",
+ "predicted": "Precursor synthesis: The [Pd(NH3)4](NO3)2 solution (0.01 M) was prepared by adding 32.5 mg of Pd(NO3)2\u00b76H2O into 10 mL of deionized water under magnetic stirring until complete dissolution, then adding NH3\u00b7H2O (2.9 mL) to obtain a clear and light yellow transparent solution. Na2[AuCl4] solution (0.01 M) was prepared by dissolving 2.7 mg of AuCl3 in 10 mL of deionized water.\nSynthesis of the hybrid structure: The hybrid structures were fabricated by electrodeposition method using a two-electrode system with a copper foil as the working electrode and a carbon rod as the counter electrode. The working electrode was immersed in 10 mL of deionized water containing 10 \u03bcL of H2O2 and 1 mL of ethylene glycol at pH = 12. The preheated Au NWs was used as the template for the growth of Pd nanosheets. The electrochemical deposition was performed by applying a square wave voltage of +0.8 V vs. Cu/Cu2+ for 1 s every 2 s for 10 cycles. After that, the obtained samples were removed from the solution, rinsed with deionized water and dried at room temperature.",
+ "ground_truth": "Precursor synthesis: Na2PdCl4 and AgNO3 solutions were used as precursors for Pd and Ag, respectively. KBH4 in the fresh synthesized Au NWs dispersion is sufficient to reduce the stepwise added metal salts, including AgNO3, Na2PdCl4, and Pd(NO3)2. Na2PdCl4 was chosen over Pd(NO3)2 for the synthesis of Pd layer because Pd(NO3)2 forms small Pd clusters as by-products.\nSAC synthesis: 0.19, 0.375, 0.75, 1.50, or 3.0 mL of ice-cold 1.0 \u00d7 10^-3 m Na2PdCl4 solution was added into 10.0 mL dispersion of freshly synthesized Au NWs dropwise while stirring. The Pd coverage is 1/16, 1/8, 1/4, 1/2, or 1.0 ML, respectively."
+ },
+ {
+ "id": 59,
+ "sac_id": "Atom: Ag\nSupport Material: Ultrathin gold nanowires (Au NWs)\nSynthesis Method: Solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ag\nSupport Material: Ultrathin gold nanowires (Au NWs)\n\n",
+ "predicted": "Precursor synthesis: The solution was prepared by adding 10 mL of H2O, 35 mL of EtOH, and 4.7 mL of Au(III) chloride hydrate (68 wt.% Au), followed by the addition of 0.9 mL of NaBH4 (1 M).\n\nSynthesis of ultrathin gold nanowires (Au NWs): The Au NWs were fabricated using a previously reported electrochemical deposition method. [1] The as-synthesized Au nanoparticles were used as the working electrode, and a carbon rod served as the counter electrode in an electrolyte containing 0.05 M HAuCl4. A constant current density of 5 mA cm-2 was applied for 10 min to obtain the Au NWs.\n\nDecoration of silver atoms on ultrathin gold nanowires (Au NWs) with different surface charges: To decorate Ag atoms on the Au NWs, a droplet of the precursor solution (0.05 M HAuCl4 + 0.05 M AgNO3) was placed on the Au NWs. The samples were dried at room temperature for 1 h.",
+ "ground_truth": "Precursor synthesis: Na2PdCl4 and AgNO3 solutions were used as precursors for Pd and Ag, respectively. KBH4 in the fresh synthesized Au NWs dispersion is sufficient to reduce the stepwise added metal salts, including AgNO3, Na2PdCl4, and Pd(NO3)2. Na2PdCl4 was chosen over Pd(NO3)2 for the synthesis of Pd layer because Pd(NO3)2 forms small Pd clusters as by-products.\nSAC synthesis: The synthesis is similar to that of Au@Pd NWs, but Na2PdCl4 is replaced with an equal amount of AgNO3."
+ }
+ ],
+ "10.1002_aenm.202000689": [
+ {
+ "id": 60,
+ "sac_id": "Atom: Rh\nSupport Material: Zeolite Imidazolate Framework (ZIF) and Carbon (C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Rh\nSupport Material: Zeolite Imidazolate Framework (ZIF) and Carbon (C)\n\n",
+ "predicted": "Precursor synthesis: 80 mg of Zn(NO3)2\u00b76H2O and 120 mg of 2-methylimidazole (2-MeIm) were dissolved in 5 mL of methanol. The mixture was transferred into a Teflon-lined autoclave, heated at 95 \u00b0C for 48 h, and then naturally cooled to room temperature. The as-obtained white powder was centrifugally washed with methanol three times and dried under vacuum at 70 \u00b0C overnight.\n\nSynthesis of Rh/ZIF-8: 100 mg of the above prepared ZIF-8 nanosheets were dispersed in 25 mL of deionized water by ultrasonication for 10 min. A solution containing 10 mL of water and 10 mg of trisodium citrate was added dropwise to the above suspension and stirred for 30 min. The resulting suspension was centrifuged at 10,000 rpm for 5 min, and the precipitate was washed with deionized water twice and dried under vacuum at 70 \u00b0C overnight. A solid mixture of 100 mg of dried ZIF-8 nanosheets and 100 mg of RhCl3\u00b7xH2O was placed in a porcelain boat and annealed at 900 \u00b0C for 2 h with a ramping rate of 5 \u00b0C min^-1 under an Ar flow. After cooling to room temperature, the as-prepared sample was leached in 0.5 M H2SO4 at 80 \u00b0C for 6 h to remove residual metallic Zn and Cd atoms. The final product was collected after washing with deionized water and drying under vacuum at 70 \u00b0C overnight.\n|endothermic reaction|The thermal conversion of Rh/ZIF-8 leads to the formation of Rh/C hybrid structures.<|endothermic reaction|>|thermolysis|The thermolysis of ZIF-8 results in the generation of porous carbon.<|thermolysis|>",
+ "ground_truth": "Precursor synthesis: 2-Methylimidazole (2MIm) and zinc oxide (ZnO) were obtained from Sinopharm Chemical Reagent Co. Ltd. Rhodium chloride (RhCl3) was purchased from Shanghai Macklin Biochemical Co. Ltd.\nSAC synthesis: For the preparation of Rh1-N/C, an appropriate amount of RhCl3 was dissolved in melted 2MIm at 220 \u00b0C in a Teflon-lined stainless autoclave under Ar. After cooling to room temperature, the obtained product was mixed with ZnO (the mole ratios of 2MIm and metal ions were fixed at 2.6, Rh:Zn=0.5:99.5) and sealed in an autoclave under Ar atmosphere, followed by a heating at 220 \u00b0C for 18 hours. The mole ratio between 2MIm and metal ions was slightly higher than the stoichiometric ratio to ensure the full conversion of metal ions during the solid-state reaction. The obtained crystals were subsequently ball-milled with 6 mm zirconia balls for 8 hours at 300 rpm under Ar protection. The obtained Rh/ZIF-seq powder was carbonized at 1000 \u00b0C for 1 hour under Ar atmosphere to obtain the Rh1-N/C catalysts."
+ },
+ {
+ "id": 61,
+ "sac_id": "Atom: Ir\nSupport Material: Zeolite Imidazolate Framework (ZIF) and Carbon (C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ir\nSupport Material: Zeolite Imidazolate Framework (ZIF) and Carbon (C)\n\n",
+ "predicted": "Precursor synthesis: 80 mg of Zn(NO3)2\u00b76H2O and 120 mg of 2-methylimidazole were dissolved in 5 mL of methanol, respectively. The Zn(NO3)2 solution was added into the Zn(NO3)2\u00b76H2O solution with stirring for 4 h at room temperature. After complete crystallization, the product was separated by centrifugation and washed with methanol three times. The as-prepared samples were dried at 70 \u00b0C overnight under vacuum. For ZIF-8, the above-mentioned mass ratio of Zn(NO3)2\u00b76H2O to 2-methylimidazole was changed to 40 mg: 80 mg.\n\nSacrificial Dopant Synthesis: 400 mg of ZIF-8 was dispersed in 10 mL of deionized water. A certain amount of FeCl3\u00b76H2O was added to the above solution under stirring for 4 h at room temperature. Then, the product was centrifuged and washed with deionized water until the supernatant became neutral. Finally, the product was dried at 70 \u00b0C overnight under vacuum.\n\nCarbonization Synthesis: The sacrificial doped ZIF samples were placed in a tube furnace and heated from room temperature to 900 \u00b0C at a rate of 5 \u00b0C min\u22121. The sample was kept at 900 \u00b0C for 2 h under an Ar environment and then naturally cooled to room temperature.\n\nAcid Etching: 50 mg of Fe-doped ZIF-8 was dispersed in 50 mL of 2.0 mol L\u22121 HCl solution. The mixture was ultrasonically treated for 1 h and continuously stirred at 60 \u00b0C for 12 h. The product was collected by centrifugation and washed with deionized water until the filtrate became neutral.",
+ "ground_truth": "Precursor synthesis: 2-Methylimidazole (2MIm) and zinc oxide (ZnO) were obtained from Sinopharm Chemical Reagent Co. Ltd. Iridium chloride (IrCl3) was purchased from Shanghai Macklin Biochemical Co. Ltd.\nSAC synthesis: For the preparation of Ir1-N/C, an appropriate amount of IrCl3 was dissolved in melted 2MIm at 220 \u00b0C in a Teflon-lined stainless autoclave under Ar. After cooling to room temperature, the obtained product was mixed with ZnO (the mole ratios of 2MIm and metal ions were fixed at 2.6, Ir:Zn=2:98) and sealed in an autoclave under Ar atmosphere, followed by a heating at 220 \u00b0C for 18 hours. The mole ratio between 2MIm and metal ions was slightly higher than the stoichiometric ratio to ensure the full conversion of metal ions during the solid-state reaction. The obtained crystals were subsequently ball-milled with 6 mm zirconia balls for 8 hours at 300 rpm under Ar protection. The obtained Ir/ZIF-seq powder was carbonized at 1000 \u00b0C for 1 hour under Ar atmosphere to obtain the Ir1-N/C catalysts."
+ },
+ {
+ "id": 62,
+ "sac_id": "Atom: Pd\nSupport Material: Zeolite Imidazolate Framework (ZIF) and Carbon (C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: Zeolite Imidazolate Framework (ZIF) and Carbon (C)\n\n",
+ "predicted": "Precursor synthesis: A methanol solution (50 mL) containing Zn(NO3)2\u00b76H2O (0.781 g) and Pd(acac)2 (0.149 g) was firstly added into another methanol solution (50 mL) containing 2-methylimidazole (0.959 g). The above mixture system was then ultrasonically stirred for 10 min at room temperature. Subsequently, the as-obtained mixture solution was further ultrasonically stirred for another 24 h. The resulting precipitates were centrifuged and washed with methanol for several times and dried at 80 \u00b0C overnight.\nSsynthesis of Pd-ZIF/C: The obtained Pd-ZIF/C precursor was placed in a tube furnace, heated to 950 \u00b0C at a rate of 5 \u00b0C min\u22121 under Ar flow and kept for 3 h, and then naturally cooled down to room temperature. Note that the obtained Pd-C nanoparticles were denoted as Pd-ZIF/C-950.",
+ "ground_truth": "Precursor synthesis: 2-Methylimidazole (2MIm) and zinc oxide (ZnO) were obtained from Sinopharm Chemical Reagent Co. Ltd. Palladium chloride (PdCl2) was purchased from Shanghai Macklin Biochemical Co. Ltd.\nSAC synthesis: For the preparation of Pd1-N/C, an appropriate amount of PdCl2 was dissolved in melted 2MIm at 220 \u00b0C in a Teflon-lined stainless autoclave under Ar. After cooling to room temperature, the obtained product was mixed with ZnO (the mole ratios of 2MIm and metal ions were fixed at 2.6, Pd:Zn=0.8:99.2) and sealed in an autoclave under Ar atmosphere, followed by a heating at 220 \u00b0C for 18 hours. The mole ratio between 2MIm and metal ions was slightly higher than the stoichiometric ratio to ensure the full conversion of metal ions during the solid-state reaction. The obtained crystals were subsequently ball-milled with 6 mm zirconia balls for 8 hours at 300 rpm under Ar protection. The obtained Pd/ZIF-seq powder was carbonized at 1000 \u00b0C for 1 hour under Ar atmosphere to obtain the Pd1-N/C catalysts."
+ },
+ {
+ "id": 63,
+ "sac_id": "Atom: Pt\nSupport Material: Zeolite Imidazolate Framework (ZIF) and Carbon (C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Zeolite Imidazolate Framework (ZIF) and Carbon (C)\n\n",
+ "predicted": "Precursor synthesis: A methanol solution (50 mL) containing Zn(NO3)2\u00b76H2O (0.781 g) and Pt(acac)2 (0.129 g) was firstly prepared. Then, the above solution was added into another methanol solution (50 mL) containing 2-methylimidazole (1.246 g). The mixed solutions were stirred for 24 h at room temperature. The resultant product was collected by centrifugation, washed with methanol several times, and finally dried at 80 \u00b0C overnight.\nSsynthesis of Pt/ZIF-67: A methanol solution (50 mL) containing Zn(NO3)2\u00b76H2O (0.781 g) and Pt(acac)2 (0.129 g) was firstly prepared. Then, the above solution was added into another methanol solution (50 mL) containing 2-methylimidazole (1.246 g) under vigorous stirring for 24 h at room temperature. The resultant product was collected by centrifugation, washed with methanol several times, and finally dried at 80 \u00b0C overnight.\nPyrolysis of Pt/ZIF-67: The as-prepared Pt/ZIF-67 sample was heated to 900 \u00b0C at a rate of 5 \u00b0C min\u22121 under an argon atmosphere and kept at this temperature for 2 h.",
+ "ground_truth": "Precursor synthesis: 2-Methylimidazole (2MIm) and zinc oxide (ZnO) were obtained from Sinopharm Chemical Reagent Co. Ltd. Platinum chloride (PtCl4) was purchased from Shanghai Macklin Biochemical Co. Ltd.\nSAC synthesis: For the preparation of Pt1-N/C, an appropriate amount of PtCl4 was dissolved in melted 2MIm at 220 \u00b0C in a Teflon-lined stainless autoclave under Ar. After cooling to room temperature, the obtained product was mixed with ZnO (the mole ratios of 2MIm and metal ions were fixed at 2.6, Pt:Zn=0.4:99.6) and sealed in an autoclave under Ar atmosphere, followed by a heating at 220 \u00b0C for 18 hours. The mole ratio between 2MIm and metal ions was slightly higher than the stoichiometric ratio to ensure the full conversion of metal ions during the solid-state reaction. The obtained crystals were subsequently ball-milled with 6 mm zirconia balls for 8 hours at 300 rpm under Ar protection. The obtained Pt/ZIF-seq powder was carbonized at 1000 \u00b0C for 1 hour under Ar atmosphere to obtain the Pt1-N/C catalysts."
+ }
+ ],
+ "10.1002_adfm.201905423": [
+ {
+ "id": 64,
+ "sac_id": "Atom: Pd\nSupport Material: Graphdiyne/Graphene heterostructure (GDY/G)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: Graphdiyne/Graphene heterostructure (GDY/G)\n\n",
+ "predicted": "Precursor synthesis: The GDY/G was prepared by a facile pyrolysis method. In a typical procedure, 10 mg of graphite oxide and 20 mg of tris(bipyridine) ruthenium dichloride hexahydrate were dispersed in 5 mL of DMF under sonication for 3 h to obtain a black suspension. Then, the mixture was transferred into a Teflon-lined autoclave and heated at 240 \u00b0C for 8 h. After cooling down to room temperature, the product was washed with water and ethanol several times and then dried under vacuum at 60 \u00b0C overnight.\n\nSynthesis of Pd-NPs/GDY/G: The preparation process is similar to that of Pt-NPs/GDY/G, except that 10 mL of Na2PdCl4 solution (1 mM) was used.",
+ "ground_truth": "Precursor synthesis: Hexaethynylbenzene solution was primarily synthesized through deprotection reaction of hexakis[(trimethylsilyl)-ethynyl]benzene (HEB-TMS). To a solution of hexakis[(trimethylsilyl)-ethynyl]benzene (100 mg) and dichloromethane (DCM, 20 mL), tetrabutylammonium fluoride (TBAF) (1 M in THF, 1 mL) was added under argon atmosphere and stirred at 0 \u00b0C for 15 min. Then, the mixture was washed two times with 50 mL deionized water, dried by anhydrous MgSO4, and filtered. The HEB solution was added dropwise into a three-necked flask containing 10 mg graphene dispersed in 20 mL pyridine (5 mL), and 50 mg Cu(OAc)2. The reaction mixture was maintained at room temperature for 20 h under argon atmosphere. All processes, from deprotection to addition, should be processed in dark, continuously, rapidly, and at low temperature to avoid decomposition of HEB. After the reaction completed, the GDY film was grown on graphene sheets surface to form GDY/G heterostructure. After reaction completed, the GDY/G was washed in turn with pyridine, dimethylformamide (DMF), 1 m HCl, and deionized water. After free-drying, powder-like GDY/G heterostructure was obtained.\n\nSAC synthesis: First, 10 mg GDY/G was dispersed into 30 mL deionized water in a 100 mL round-bottom flask, and the mixture was ultrasonically treated to obtain a homogenous suspension. Then, the pH value of GDY/G suspension was adjusted to about 10 by dropping 0.25 m Na2CO3 solution. Second, a certain amount of Pd(NO3)2 solution (containing 16 mg mL-1 Pd(NO3)2) was diluted into 10 mL water, and then the pH value of the solution was adjusted to 7 using 0.25 m Na2CO3. Subsequently, the pH neutral Pd(NO3)2 solution was introduced immediately to carbon support suspension dropwise under magnetic stirring at 100 \u00b0C, and then kept stirring at 100 \u00b0C for 1 h. At the end, the mixture was cooled to room temperature, collected by filter, and washed several times with deionized water, until it was free of Na+ and CO32-. Afterward, the Pd1/GDY/G-O powders were reduced by 0.1 m NaBH4 aqueous solution to obtain Pd1/GDY/G after vacuum drying at 60 \u00b0C for 12 h."
+ }
+ ],
+ "10.1002_adma.201904496": [
+ {
+ "id": 65,
+ "sac_id": "Atom: Ni\nSupport Material: Graphene oxide (GO)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Graphene oxide (GO)\n\n",
+ "predicted": "Precursor synthesis: The GO was prepared by a modified Hummers' method. In brief, graphite powder (5 g) was slowly added to a mixture of potassium permanganate (320 g), sulfuric acid (98%, 900 mL), and distilled water (100 mL) in a 2 L three-necked round bottom flask under ice bath cooling. After stirring at 30 \u00b0C for 4 h, the reaction mixture was transferred into a 2 L reactor, sealed, and allowed to react at 35 \u00b0C for an additional 24 h. Next, the mixture was poured into 1000 mL of deionized water with continuous stirring. The resulting suspension was then treated with 400 mL of 30% hydrogen peroxide (H2O2) and stirred for 20 min. The mixture was then centrifuged at 6000 rpm for 10 min; the supernatant was discarded, and the precipitate was re-dispersed in 300 mL of deionized water. This process was repeated five times to remove the residual K+ cation and other salts. Finally, the GO was recovered by freeze-drying.\n\nNiN4@GO synthesis: Typically, 100 mg GO was dispersed in 50 mL deionized water with ultrasonication for 30 min. Then, 7.5 mL of ethanol solution containing 10 mmol Ni(NO3)2\u00b76H2O and 30 mmol urea were added to the above solution with ultrasound. The dispersion was transferred into a 100 mL Teflon-lined autoclave and heated at 180 \u00b0C for 12 h. After cooling down to room temperature, the obtained solid powders were washed with deionized water and ethanol, respectively, and finally freeze-dried overnight to obtain the final product.\n\nNiN4@GO-800 \u00b0C synthesis: The preparation procedure is similar to that of NiN4@GO, except that the carbonization temperature is changed to 800 \u00b0C.",
+ "ground_truth": "Precursor synthesis: Typically, graphite powder (5.0 g) was added into concentrated H2SO4 (180 mL) and the mixture was stirred for 1h. Then fuming HNO3 (60 mL) was added slowly to the mixture with assist of ice-cooling and stirring. After cooling, KMnO4 (25 g) was added slowly under ice-cooling and stirring. The mixed slurry was stirred at room temperature for another 120 h. Subsequently, deionized (DI) water (600 mL) was added slowly into the slurry and the mixture was stirred for 2 h. Then H2O2 (30%, 30 mL) was added, and the slurry immediately turned into a bright yellow solution with bubbling. The resultant solution was stirred for 2 h and then allowed to settle for 24 h, after which the supernatant was decanted. The resultant yellow slurry was centrifuged and then washed in DI water (1000 mL) with HCl (37 %,5mL) and H2O2 (30%, 3mL) added. After stirring for 24 h, the solution was centrifuged and then washed again. This process was repeated dozens of times to remove Mn species. Subsequently, the yellow slurry was washed further with DI water (500 mL) until the pH of the washing solution increased to neutral (6.5) (this required about 12 \u00d7 500 mL washes). After that, the dark yellow was ultrasonically dispersed in 1 L DI for 12 h. The water in resultant suspension was removed by freeze drying, obtaining fluffy graphene oxide powder.\nSAC synthesis: The fluffy GO powder (10 mg) was dispersed in 10 mL ethanol under ultrasound effect for at least 2 h. The GO slurry was uniformly injected into bistratal Ni foam (5 cm \u00d7 5 cm \u00d7 0.1 cm) dropwise. Next, the GO-Ni foam was dried at room temperature and flowing Ar for 12 h. The GO-Ni foam was placed in 500 mL ethanol under ultrasound effect for 2 h. The suspension was separated by centrifugation, washed with deionized water three times and ethanol one time, and then dried at 40 \u00b0C under vacuum. The obtained sample was denoted as Ni SAs/GO."
+ },
+ {
+ "id": 66,
+ "sac_id": "Atom: Co\nSupport Material: Graphene oxide (GO)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Graphene oxide (GO)\n\n",
+ "predicted": "Precursor synthesis: The GO was prepared by a modified Hummers' method.\nGO support synthesis: Typically, 10 mL of urea solution (128 mmol L-1) was mixed with 50 mL of GO suspension (1 mg mL-1), and then sonicated for 30 min. The resulting mixture was stirred at 60 \u00b0C until dry. Then, the dried sample was ground into powder. Subsequently, 4 g of the powder was heated to 180 \u00b0C at a rate of 5 \u00b0Cmin-1 under an argon flow (flow rate: 20 mLmin-1). After keeping this temperature for 1 h, the resultant black sample was denatured to form urea polymer grafted onto GO (GO-U). Finally, CO was passed through at 180 \u00b0C for 2 h, and then the temperature was raised to 300 \u00b0C at a rate of 2 \u00b0Cmin-1 and kept for 2 h to obtain UCCO/GO.",
+ "ground_truth": "Precursor synthesis: Typically, graphite powder (5.0 g) was added into concentrated H2SO4 (180 mL) and the mixture was stirred for 1h. Then fuming HNO3 (60 mL) was added slowly to the mixture with assist of ice-cooling and stirring. After cooling, KMnO4 (25 g) was added slowly under ice-cooling and stirring. The mixed slurry was stirred at room temperature for another 120 h. Subsequently, deionized (DI) water (600 mL) was added slowly into the slurry and the mixture was stirred for 2 h. Then H2O2 (30%, 30 mL) was added, and the slurry immediately turned into a bright yellow solution with bubbling. The resultant solution was stirred for 2 h and then allowed to settle for 24 h, after which the supernatant was decanted. The resultant yellow slurry was centrifuged and then washed in DI water (1000 mL) with HCl (37 %,5mL) and H2O2 (30%, 3mL) added. After stirring for 24 h, the solution was centrifuged and then washed again. This process was repeated dozens of times to remove Mn species. Subsequently, the yellow slurry was washed further with DI water (500 mL) until the pH of the washing solution increased to neutral (6.5) (this required about 12 \u00d7 500 mL washes). After that, the dark yellow was ultrasonically dispersed in 1 L DI for 12 h. The water in resultant suspension was removed by freeze drying, obtaining fluffy graphene oxide powder.\nSAC synthesis: The fluffy GO powder (10 mg) was dispersed in 10 mL ethanol under ultrasound effect for at least 2 h. The GO slurry was uniformly injected into bistratal Co foam (5 cm \u00d7 5 cm \u00d7 0.1 cm) dropwise. Next, the GO-Co foam was dried at room temperature and flowing Ar for 12 h. The GO-Co foam was placed in 500 mL ethanol under ultrasound effect for 2 h. The suspension was separated by centrifugation, washed with deionized water three times and ethanol one time, and then dried at 40 \u00b0C under vacuum. The obtained sample was denoted as Co SAs/GO."
+ },
+ {
+ "id": 67,
+ "sac_id": "Atom: Fe\nSupport Material: Graphene (G-500)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Graphene (G-500)\n\n",
+ "predicted": "Precursor synthesis: 2.0 g of graphene oxide powder was first suspended in 100 mL of deionized water under sonication for 3 h to obtain a homogeneous dispersion (GO solution). Then, 0.48 g of heme chloride trihydrate was added into the GO solution and stirred for 6 h at room temperature. The mixture was then transferred into a Teflon-lined autoclave and heated at 180 \u00b0C for 12 h. After cooling down to room temperature, the resulting sample was collected by centrifugation and further dried at 60 \u00b0C overnight.\nSMP synthesis: 20 mg of ferric acetylacetonate and 100 mg of 1,4-dicyanobenzene were dissolved in 10 mL of anhydrous toluene with continuous stirring at 70 \u00b0C until a clear solution was obtained. Subsequently, 50 mg of G-500 was added to the above solution followed by sonication for 30 min. The mixture was then transferred into a Teflon-lined autoclave and heated at 120 \u00b0C for 24 h. After cooling down to room temperature, the black solid product was collected by centrifugation and further dried at 60 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: Typically, graphite powder (5.0 g) was added into concentrated H2SO4 (180 mL) and the mixture was stirred for 1h. Then fuming HNO3 (60 mL) was added slowly to the mixture with assist of ice-cooling and stirring. After cooling, KMnO4 (25 g) was added slowly under ice-cooling and stirring. The mixed slurry was stirred at room temperature for another 120 h. Subsequently, deionized (DI) water (600 mL) was added slowly into the slurry and the mixture was stirred for 2 h. Then H2O2 (30%, 30 mL) was added, and the slurry immediately turned into a bright yellow solution with bubbling. The resultant solution was stirred for 2 h and then allowed to settle for 24 h, after which the supernatant was decanted. The resultant yellow slurry was centrifuged and then washed in DI water (1000 mL) with HCl (37 %,5mL) and H2O2 (30%, 3mL) added. After stirring for 24 h, the solution was centrifuged and then washed again. This process was repeated dozens of times to remove Mn species. Subsequently, the yellow slurry was washed further with DI water (500 mL) until the pH of the washing solution increased to neutral (6.5) (this required about 12 \u00d7 500 mL washes). After that, the dark yellow was ultrasonically dispersed in 1 L DI for 12 h. The water in resultant suspension was removed by freeze drying, obtaining fluffy graphene oxide powder. The fluffy GO powder (10 mg) was heated at 200 \u00b0C under flowing Ar for 15 min, yielding GO-200 support.\nSAC synthesis: The synthesis procedure of Fe SAs/GO-200 was the same as Fe SAs/GO."
+ },
+ {
+ "id": 68,
+ "sac_id": "Atom: Fe\nSupport Material: N-doped graphene (N-G)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: N-doped graphene (N-G)\n\n",
+ "predicted": "Precursor synthesis: Melamine (C3H6N6, 50 g) was annealed at 600 \u00b0C (heating rate, 10 \u00b0C min-1) for 3 h in a covered alumina crucible placed inside a muffle furnace to obtain P-G. 2-Methylimidazole (1.948 g) and Triphenylphosphine (6.972 g) were dissolved in 50 mL methanol solution. 100 mg of P-G was added into the above solution and ultrasonicated for 30 min. The suspension was then transferred to a Teflon-lined stainless steel autoclave and heated at 120 \u00b0C for 4 h. The product was obtained by centrifuging, washed with methanol several times, and dried at 60 \u00b0C overnight to produce ZIF-8@ZIF-67-NPs/P-G. Afterwards, the ZIF-8@ZIF-67-NPs/P-G was annealed at 950 \u00b0C for 3 h under Ar flow (flow rate, 100 sccm) with a heating rate of 5 \u00b0Cmin-1. After cooling to room temperature naturally, the final product ZIF-8@ZIF-67-NPs/P-G-950 was obtained. For comparison, samples with different annealing temperatures (i.e., 900, 850, 800, and 750 \u00b0C) were named as ZIF-8@ZIF-67-NPs/P-G-T \u00b0C (T = 900, 850, 800, and 750). Similarly, samples prepared without the second annealing process were denoted as ZIF-8@ZIF-67-NPs/P-G-NA.\n\nFe-N-C synthesis: A certain amount of ZIF-8@ZIF-67-NPs/P-G was mixed with Fe(NO3)3\u00b79H2O (molar ratio of Fe:ZIF-67 = 1:10) and ultrasonicated for 1 h. Then, the mixture was pyrolyzed at 1000 \u00b0C for 2 h under Ar flow (flow rate, 100 sccm) with a heating rate of 5 \u00b0Cmin-1. After cooling to room temperature naturally, the final product was denoted as ZIF-8@Fe-C-G-950.",
+ "ground_truth": "Precursor synthesis: Typically, graphite powder (5.0 g) was added into concentrated H2SO4 (180 mL) and the mixture was stirred for 1h. Then fuming HNO3 (60 mL) was added slowly to the mixture with assist of ice-cooling and stirring. After cooling, KMnO4 (25 g) was added slowly under ice-cooling and stirring. The mixed slurry was stirred at room temperature for another 120 h. Subsequently, deionized (DI) water (600 mL) was added slowly into the slurry and the mixture was stirred for 2 h. Then H2O2 (30%, 30 mL) was added, and the slurry immediately turned into a bright yellow solution with bubbling. The resultant solution was stirred for 2 h and then allowed to settle for 24 h, after which the supernatant was decanted. The resultant yellow slurry was centrifuged and then washed in DI water (1000 mL) with HCl (37 %,5mL) and H2O2 (30%, 3mL) added. After stirring for 24 h, the solution was centrifuged and then washed again. This process was repeated dozens of times to remove Mn species. Subsequently, the yellow slurry was washed further with DI water (500 mL) until the pH of the washing solution increased to neutral (6.5) (this required about 12 \u00d7 500 mL washes). After that, the dark yellow was ultrasonically dispersed in 1 L DI for 12 h. The water in resultant suspension was removed by freeze drying, obtaining fluffy graphene oxide powder. The fluffy GO powder (10 mg) was heated at 200 \u00b0C under flowing Ar for 15 min, yielding GO-200 support.\nSAC synthesis: The synthesis procedure of Fe SAs/GO-200 was the same as Fe SAs/GO."
+ },
+ {
+ "id": 69,
+ "sac_id": "Atom: Fe\nSupport Material: Graphene oxide (GO)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Graphene oxide (GO)\n\n",
+ "predicted": "Precursor synthesis: Iron pentacarbonyl (Fe(CO)5), 1,10-phenanthroline monohydrate (C12H8N2\u00b7H2O), and calcium chloride (CaCl2) were used as precursors.\n\nSOD mimic synthesis: SOD mimics with the formula [Fe3(\u03bc-O)2(O2)4(phen)6] (phen = 1,10-phenanthroline) was prepared by adding CaCl2 to a solution of iron pentacarbonyl in phenanthroline followed by cooling to -70 \u00b0C. The addition of CaCl2 is crucial for the formation of the hexameric structure.\n\nEncapsulation within graphene oxide (GO): The SOD mimic was encapsulated within GO by mixing the powders and grinding them together. This process helps to stabilize the active centers and prevent their aggregation.",
+ "ground_truth": "Precursor synthesis: Typically, graphite powder (5.0 g) was added into concentrated H2SO4 (180 mL) and the mixture was stirred for 1h. Then fuming HNO3 (60 mL) was added slowly to the mixture with assist of ice-cooling and stirring. After cooling, KMnO4 (25 g) was added slowly under ice-cooling and stirring. The mixed slurry was stirred at room temperature for another 120 h. Subsequently, deionized (DI) water (600 mL) was added slowly into the slurry and the mixture was stirred for 2 h. Then H2O2 (30%, 30 mL) was added, and the slurry immediately turned into a bright yellow solution with bubbling. The resultant solution was stirred for 2 h and then allowed to settle for 24 h, after which the supernatant was decanted. The resultant yellow slurry was centrifuged and then washed in DI water (1000 mL) with HCl (37 %,5mL) and H2O2 (30%, 3mL) added. After stirring for 24 h, the solution was centrifuged and then washed again. This process was repeated dozens of times to remove Mn species. Subsequently, the yellow slurry was washed further with DI water (500 mL) until the pH of the washing solution increased to neutral (6.5) (this required about 12 \u00d7 500 mL washes). After that, the dark yellow was ultrasonically dispersed in 1 L DI for 12 h. The water in resultant suspension was removed by freeze drying, obtaining fluffy graphene oxide powder. The fluffy GO powder (10 mg) was heated at 200 \u00b0C under flowing Ar for 15 min, yielding GO-200 support.\nSAC synthesis: The synthesis procedure of Fe SAs/GO-200 was the same as Fe SAs/GO."
+ },
+ {
+ "id": 70,
+ "sac_id": "Atom: Fe\nSupport Material: Graphene oxide (GO-200)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Graphene oxide (GO-200)\n\n",
+ "predicted": "Precursor synthesis: 6.5 g of graphite flakes were placed into a porcelain boat and heated to 800 \u00b0C in argon (Ar) at a flow rate of 75 mL min^-1 for 4 h. GO was prepared by the modified Hummers' method. In detail, 3 g of commercial graphite powder was added into 30 mL H2SO4 slowly, followed by the addition of 15 mg NaNO3. After stirring for 15 minutes, 6 g KMnO4 was added carefully while keeping the temperature below 10 \u00b0C. The mixture was stirred at room temperature for 1 h, and then heated to 50 \u00b0C for another hour. Subsequently, ice water (290 mL) was added dropwise to quench the reaction, after which 8 mL 30% H2O2 was added and stirred for 1 h. The mixture was filtered using vacuum filtration, and then washed with 5% HCl and deionized water until the pH reached 6. The obtained product was exfoliated in 200 mL of deionized water under ultrasound for 1 h. The suspension was then centrifuged at 1500 rpm, and the supernatant was collected by centrifugation several times until a stable GO suspension was obtained. The obtained GO was denoted as GO-300. The GO-200 was prepared by diluting GO-300 suspension to 200 mL.\n\nMetal oxide synthesis: 100 \u03bcL of FeCl3\u00b76H2O solution (12.6 mg mL^-1) was added into 4 mL of GO-200 suspension (2 mg mL^-1), followed by sonication for 30 min. The resulting mixture was then stirred overnight before being freeze-dried. The preoxidized Fe@GO was then obtained by annealing the freeze-dried sample at 200 \u00b0C for 2 h in air.\n\nSAC synthesis: The pyrolysis of Fe@GO was carried out in a tube furnace (Thermo Fisher Scientific, Inc.) under Ar atmosphere. First, the preoxidized Fe@GO was mixed with melamine at a weight ratio of 1:5. Then, the mixture was heated to 800 \u00b0C at a ramping rate of 5 \u00b0C min^-1, and maintained at this temperature for 1 h. The resulting products were washed with deionized water and ethanol several times, respectively, and subsequently dried at 60 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: Typically, graphite powder (5.0 g) was added into concentrated H2SO4 (180 mL) and the mixture was stirred for 1h. Then fuming HNO3 (60 mL) was added slowly to the mixture with assist of ice-cooling and stirring. After cooling, KMnO4 (25 g) was added slowly under ice-cooling and stirring. The mixed slurry was stirred at room temperature for another 120 h. Subsequently, deionized (DI) water (600 mL) was added slowly into the slurry and the mixture was stirred for 2 h. Then H2O2 (30%, 30 mL) was added, and the slurry immediately turned into a bright yellow solution with bubbling. The resultant solution was stirred for 2 h and then allowed to settle for 24 h, after which the supernatant was decanted. The resultant yellow slurry was centrifuged and then washed in DI water (1000 mL) with HCl (37 %,5mL) and H2O2 (30%, 3mL) added. After stirring for 24 h, the solution was centrifuged and then washed again. This process was repeated dozens of times to remove Mn species. Subsequently, the yellow slurry was washed further with DI water (500 mL) until the pH of the washing solution increased to neutral (6.5) (this required about 12 \u00d7 500 mL washes). After that, the dark yellow was ultrasonically dispersed in 1 L DI for 12 h. The water in resultant suspension was removed by freeze drying, obtaining fluffy graphene oxide powder. The fluffy GO powder (10 mg) was heated at 200 \u00b0C under flowing Ar for 15 min, yielding GO-200 support.\nSAC synthesis: The synthesis procedure of Fe SAs/GO-200 was the same as Fe SAs/GO."
+ },
+ {
+ "id": 71,
+ "sac_id": "Atom: Cu\nSupport Material: Graphene oxide (GO)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: Graphene oxide (GO)\n\n",
+ "predicted": "Precursor synthesis: The GO was prepared by a modified Hummers' method.\nSAC synthesis: In a typical procedure, 10 mL of ethanol solution containing 60 mg of GO was added to 40 mL of CuCl2\u00b72H2O solution (0.05 g/mL). Then the mixture was treated ultrasonically for 30 min and vigorously stirred for another 3 h at room temperature. After that, the mixed suspension was centrifuged and dried at 70 \u00b0C. Next, the dried sample was heated to 300 \u00b0C with a rate of 10 \u00b0C/min and kept for 2 h under Ar flow. Finally, Cu-N2C2 was obtained. The Cu content in Cu-N2C2 is about 8 wt.%.",
+ "ground_truth": "Precursor synthesis: Typically, graphite powder (5.0 g) was added into concentrated H2SO4 (180 mL) and the mixture was stirred for 1h. Then fuming HNO3 (60 mL) was added slowly to the mixture with assist of ice-cooling and stirring. After cooling, KMnO4 (25 g) was added slowly under ice-cooling and stirring. The mixed slurry was stirred at room temperature for another 120 h. Subsequently, deionized (DI) water (600 mL) was added slowly into the slurry and the mixture was stirred for 2 h. Then H2O2 (30%, 30 mL) was added, and the slurry immediately turned into a bright yellow solution with bubbling. The resultant solution was stirred for 2 h and then allowed to settle for 24 h, after which the supernatant was decanted. The resultant yellow slurry was centrifuged and then washed in DI water (1000 mL) with HCl (37 %,5mL) and H2O2 (30%, 3mL) added. After stirring for 24 h, the solution was centrifuged and then washed again. This process was repeated dozens of times to remove Mn species. Subsequently, the yellow slurry was washed further with DI water (500 mL) until the pH of the washing solution increased to neutral (6.5) (this required about 12 \u00d7 500 mL washes). After that, the dark yellow was ultrasonically dispersed in 1 L DI for 12 h. The water in resultant suspension was removed by freeze drying, obtaining fluffy graphene oxide powder.\nSAC synthesis: The fluffy GO powder (10 mg) was dispersed in 10 mL ethanol under ultrasound effect for at least 2 h. The GO slurry was uniformly injected into bistratal Cu foam (5 cm \u00d7 5 cm \u00d7 0.1 cm) dropwise. Next, the GO-Cu foam was dried at room temperature and flowing Ar for 12 h. The GO-Cu foam was placed in 500 mL ethanol under ultrasound effect for 2 h. The suspension was separated by centrifugation, washed with deionized water three times and ethanol one time, and then dried at 40 \u00b0C under vacuum. The obtained sample was denoted as Cu SAs/GO."
+ }
+ ],
+ "10.1002_adfm.202008064": [
+ {
+ "id": 72,
+ "sac_id": "Atom: Co\nSupport Material: Carbon nanosheets (CNS)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Carbon nanosheets (CNS)\n\n",
+ "predicted": "Precursor synthesis: 0.8 g of CoCl2\u00b76H2O was added into 40 mL of DMF and stirred for 1 h at room temperature. Then, 1.2 g of urea was added into the above solution with stirring for another 30 min. The homogeneous black solution was transferred into a Teflon-lined stainless steel autoclave and heated at 150 o C for 7 h. After cooling to room temperature, the black sample was collected by centrifugation and washed in ethanol and DI water for several times and dried at 60 o C overnight. 200 mg of Co-Urea precursor was placed in an agate mortar and ground thoroughly for further use.\n\nSynthesis of CNS-Co: A mixture of CNS (100 mg) and Co-Urea (100 mg) was loaded into a ceramic boat placed in a tube furnace. The sample was heated from room temperature to 900 o C at a rate of 5 o C/min under a nitrogen flow and then maintained at this temperature for 2 h. After cooling down to room temperature, the sample was taken out from the tube furnace and washed with 2 M H2SO4 to remove the unstable species. Finally, the samples were dried at 60 o C overnight for further characterization.\n\nPrecursor preparation for CNS-Co-N: 100 mg of CNS-Co sample was dispersed in 20 mL of ethanol and sonicated for 1 h. Then, 10 mL of ethanol containing 100 mg of melamine was added into the above solution followed by stirring for 2 h. The black powder after evaporating the solvent was further calcined in a tube furnace as described for CNS-Co.\n\nSynthesis of CNS-Co-N-600: 100 mg of CNS-Co-N sample was placed in a boat which was then heated up to 600 o C at a rate of 5 o C/min under a nitrogen flow and maintained at this temperature for 1 h. After cooling down to room temperature, the sample was taken out from the tube furnace and washed with 2 M H2SO4 to remove the unstable species.",
+ "ground_truth": "Precursor synthesis: The intercalated CoAl-LDH array was synthesized using a one-step in situ growth process on the carbon cloth (CC). The HCP330N type CC was purchased from Shanghai Hesen Electric Co., Ltd., China. In detail, 6 mmol of Co(NO3)2\u00b76H2O, 2 mmol of Al(NO3)3\u00b79H2O, 10 mmol of hexamethylenetetramine and 8 mmol of NH4F were dissolved in 20 mL of deaerated H2O to form a transparent pink solution (solution A). Then, 20 mL of solution B contains PA (p-toluenesulfonic acid; 5 mmol) and MA (metanilic acid; 5 mmol) in deaerated H2O was dropwise added to solution A with uninterrupted stirring under N2 at room temperature. The mixed solution was adjusted to a pH of 7.0 by 1 M NaOH and poured into a Teflon-lined stainless steel autoclave. A piece of carbon cloth (30\u00d750\u00d70.1 mm; pretreated with 0.5 M KMnO4 for 30 min) was immersed into the above solution, sealed and heated at 100 \u00baC for 12 h. Then, the CC was withdrawn, washed thoroughly with H2O and finally dried at 60 \u00baC for 6 h to obtained intercalated CoAl-LDH nanosheets array (denote as LDH(PA+MA)). The control samples LDH(PA) and LDH(MA) were synthesized by the same method with 10 mmol PA or 10 mmol MA in solution B.\n\nSAC synthesis: The IE-SACs was synthesized by a in situ pyrolysis and acid etching method. For the IE-SAC(PA+MA) sample, a piece of LDH(PA+MA) (30\u00d750\u00d70.1 mm) was horizontally placed in a crucible and transfored into a temperature-programmed furnace to perform the carbonization process under N2 atmosphere at 800 \u00baC for 2 h with a heating rate of 5 \u00baC min -1 (the sample obtained in this step was denoted as CNS(PA+MA)). After cooled to room temperature naturally, the sample was etched by 3 M HCl solution for 12 h, and then thoroughly washed using H2O and ethanol. The IE-SAC(PA) and IE-SAC(MA) samples were obained in the same way. The mass loading of IE-SAC(PA), IE-SAC(PA+MA) and IE-SAC(MA) are 0.40, 0.79, and 1.20 mg cm -2 , respectively."
+ }
+ ],
+ "10.1002_anie.202004945": [
+ {
+ "id": 73,
+ "sac_id": "Atom: Pt\nSupport Material: CeO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: CeO2\n\n",
+ "predicted": "Precursor synthesis: The Pt/CeO2 catalysts were prepared by incipient wetness impregnation using chloroplatinic acid as the noble metal precursor. After impregnation, the samples were dried at 100 \u00b0C for 12 h and calcined in static air at 500 \u00b0C for 3 h with a ramp rate of 5 \u00b0C/min.\n\nMain text synthesis: The CO oxidation reaction was carried out over the supported Pt catalysts. A quartz reactor was used to perform the catalytic activity tests. Prior to the experiments, the reactor was purged with He and then filled with the appropriate amount of CO (1% in He) and allowed to equilibrate. The reactor temperature was raised to the desired reaction temperature and held there using a furnace-controlled oven. Once isothermal conditions were reached, the sample was exposed to the reactant mixture for 1 h while stirring. The sample was then purged with He and cooled to room temperature. The reactant gas was analyzed by gas chromatography to determine the conversion of CO. The conversion was calculated based on the concentration difference between the reactant and product gases.",
+ "ground_truth": "Precursor synthesis: Following a conventional approach, 0.5 g Ce(NO3)3 \u00b7 6H2O and 0.2 g PVP were dissolved in 15 mL ethylene glycol, and then adding 1 mL deionized water to the above solution (add slowly or one would get lumps). After continuous stirring for 30 min, this clear solution was transferred to a 20 mL Teflon-lined autoclave and heated for 8 h at 160 \u00b0C. After the autoclave was cooled at room temperature, the product was collected by centrifugation, washed five times with water, and finally dried at 70 \u00b0C overnight.\n\nSAC synthesis: Disperse 0.6 g defective CeO2 nanospheres into 30 mL water. After stirring for 15 min., the solution was properly alkalinized by adding ammonium carbonate solution. H2PtCl6 \u00b7 6H2O was dissolved in 15 mL water, and then added into the CeO2 solution dropwise. The mixture was aged at room temperature for 1 h. After centrifugation and washing with water, the products were dried at 70 \u00b0C overnight."
+ },
+ {
+ "id": 74,
+ "sac_id": "Atom: Pd\nSupport Material: CeO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: CeO2\n\n",
+ "predicted": "Precursor synthesis: The palladium acetylacetonate (Pa(acac)) precursor was used for the impregnation.\nSynthesis: The CeO2-supported catalysts were prepared by incipient wetness impregnation using palladium acetylacetonate (Pa(acac)) as the precursor. After drying at 100 \u00b0C overnight, the impregnated powders were calcined at 500 \u00b0C for 4 h with a heating rate of 3 \u00b0C min-1 and stored under static air atmosphere. Subsequently, the samples were reduced at 300 \u00b0C for 2 h using a reduction gas composed of 10 vol% H2 and 90 vol% Ar. The resulting sample is denoted as xPd/CeO2, where x represents the Pd loading.",
+ "ground_truth": "Precursor synthesis: Following a conventional approach, 0.5 g Ce(NO3)3 \u00b7 6H2O and 0.2 g PVP were dissolved in 15 mL ethylene glycol, and then adding 1 mL deionized water to the above solution (add slowly or one would get lumps). After continuous stirring for 30 min, this clear solution was transferred to a 20 mL Teflon-lined autoclave and heated for 8 h at 160 \u00b0C. After the autoclave was cooled at room temperature, the product was collected by centrifugation, washed five times with water, and finally dried at 70 \u00b0C overnight.\n\nSAC synthesis: Disperse 0.6 g defective CeO2 nanospheres into 30 mL water. After stirring for 15 min., the solution was properly alkalinized by adding ammonium carbonate solution. PdCl2 was dissolved in 15 mL water, and then added into the CeO2 solution dropwise. The mixture was aged at room temperature for 1 h. After centrifugation and washing with water, the products were dried at 70 \u00b0C overnight."
+ },
+ {
+ "id": 75,
+ "sac_id": "Atom: Au\nSupport Material: CeO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Au\nSupport Material: CeO2\n\n",
+ "predicted": "Precursor synthesis: The aqueous solutions of H2PtCl6 were added dropwise to the aqueous solution of Ce(NO3)3\u00b76H2O with vigorous stirring.\nSupport pretreatment: The CeO2 support was pretreated in air at 500 \u00b0C for 4 h before impregnation.\nImpregnation: The aqueous solutions of H2PtCl6 were added dropwise to the aqueous solution of Ce(NO3)3\u00b76H2O with vigorous stirring. After stirring for 3 h, the mixture was dried at 100 \u00b0C overnight.\nCalcination: The obtained solid was then calcined at 500 \u00b0C for 4 h under air flow (50 mL min\u22121).",
+ "ground_truth": "Precursor synthesis: Following a conventional approach, 0.5 g Ce(NO3)3 \u00b7 6H2O and 0.2 g PVP were dissolved in 15 mL ethylene glycol, and then adding 1 mL deionized water to the above solution (add slowly or one would get lumps). After continuous stirring for 30 min, this clear solution was transferred to a 20 mL Teflon-lined autoclave and heated for 8 h at 160 \u00b0C. After the autoclave was cooled at room temperature, the product was collected by centrifugation, washed five times with water, and finally dried at 70 \u00b0C overnight.\n\nSAC synthesis: Disperse 0.6 g defective CeO2 nanospheres into 30 mL water. After stirring for 15 min., the solution was properly alkalinized by adding ammonium carbonate solution. HAuCl4 \u00b7 4H2O was dissolved in 15 mL water, and then added into the CeO2 solution dropwise. The mixture was aged at room temperature for 1 h. After centrifugation and washing with water, the products were dried at 70 \u00b0C overnight."
+ }
+ ],
+ "10.1002_anie.201912458": [
+ {
+ "id": 76,
+ "sac_id": "Atom: Ni\nSupport Material: Carbon cloth\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Carbon cloth\n\n",
+ "predicted": "Precursor synthesis: Nickel chloride hexahydrate (NiCl2\u00b76H2O) was dissolved in a 10 mL DI water solution containing 0.5 g polyvinylpyrrolidone (PVP, Mw = 40000). The resulting clear solution was stirred vigorously at 80 \u00b0C for 3 h.\n\nElectrodeposition: The as-prepared precursor solution was transferred to a 20 mL Teflon-lined autoclave and subjected to hydrothermal treatment at 180 \u00b0C for 12 h. After cooling down to room temperature, the obtained Ni-P slurry was rinsed with ethanol and dried in an oven at 70 \u00b0C overnight. A piece of carbon cloth (CC, Tianjin Tiancheng New Energy Technology Co., Ltd.) was used as the current collector and treated by ultrasonication in anhydrous ethanol for 15 min before coating. The Ni-P slurry was dropped onto CC and spread into a uniform layer using a blade coater. The Ni-P/CC electrodes were dried in an oven at 70 \u00b0C for another 2 h.\n\nAnnealing: The as-prepared Ni-P/CC electrodes were placed on a ceramic boat and transferred to a tube furnace filled with argon gas. The sample was heated to 900 \u00b0C at a rate of 5 \u00b0C min^-1 and kept there for 2 h. After cooling down to room temperature, the NiN3/CC electrode was obtained.",
+ "ground_truth": "Precursor synthesis: Carbon cloth was cut into the pieces with 2*2 cm and sonicated in acetone, ethyl alcohol and deionized water for 10 min, respectively. Then, the pieces of carbon cloth were heated in concentrated HNO3 at 100\u00b0C for 1 h, washed with deionized water, and dried in vacuum at 50\u00b0C for 12 h.\nSAC synthesis: For the growth of Ni-N3O and Ni-N3-V on carbon cloth, the precursors of cyanuric acid (CA, 10 mmol), 2,4-diamino-6-phenyl-1,3,5-triazine (DPT, 10 mmol), and NiCl2\u00b76H2O (0.3 mmol) were mixed in 40 mL of deionized water, and stirred at room temperature for 6 h. The resulting mixture was collected by centrifugation, washed with water, and dried in vacuum at 50\u00b0C for 12 h. Then, it was transferred into a porcelain boat, totally covering the carbon cloth on the bottom. For Ni-N3-V, the porcelain boat was heated to 550 \u00b0C in a tubular furnace under nitrogen with a heating rate of 2.3\u00b0C/min, kept at 550 \u00b0C for 2 h. Then, the temperature was sequentially increased to 600/700/800\u00b0C, with a heating rate of 10\u00b0C/min, and kept at 600/700/800\u00b0C for 1 h. After cooling to room temperature, the samples of 600/700 or 800\u00b0C (Ni-N3-V) grown on carbon cloth was taken out, and washed with deionized water."
+ }
+ ],
+ "10.1002_smll.202002356": [
+ {
+ "id": 77,
+ "sac_id": "Atom: Co\nSupport Material: Tellurium nanosheets (Te NS)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Tellurium nanosheets (Te NS)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 0.5 g of Na2TeO3 and 0.1 g of CoCl2\u00b76H2O were dissolved in 40 mL of deionized water to form a clear solution. Then the solution was transferred into a 50 mL autoclave and heated at 180 \u00b0C for 12 h. After cooling down to room temperature, the obtained solid was washed with deionized water several times and dried in air at 80 \u00b0C for 12 h.\nSacrificial template formation: The as-prepared precursors were annealed at 700 \u00b0C for 4 h under Ar flow with a rate of 20 min/h.\nElectrochemical measurement: A three-electrode system was used for the electrochemical measurements, which utilized the obtained Te NS as the working electrode, chlorine evolution standard calibration curve as the reference electrode, and graphite rod as the counter electrode. Before the measurements, 10 \u03bcL of Nafion was dropped onto the working electrode and then dried in air at 80 \u00b0C for 12 h. The linear sweep voltammetry (LSV) was carried out from 0.2 to -0.6 V vs RHE with a scan rate of 5 mV s-1. Chronoamperometry (CA) was performed at -0.4 V vs RHE with a current density of 10 mA. SEM images of the electrodes after the CV tests were taken using Hitachi S-4800. EIS measurements were conducted by applying an AC amplitude of 5 mV at the open circuit potential. All the electrochemical measurements were controlled by an EC-Lab G3.0 workstation.",
+ "ground_truth": "Precursor synthesis: Te nanosheets were prepared by using a liquid exfoliation method. Typically, 0.5 g of bulk Te (purchased from Sigma-Aldrich) was added into 50 mL NMP solution. The exfoliation process was carried out on microtip probe ultrasonication (Branson Sonifier advanced 250) at an output power level 5 and duty cycle 50% cooled by ice water. After exfoliation for 2 h, the Te nanosheets solution was obtained after being centrifuged at 4000 rpm for 5 min in order to remove the residual bulk Te. After that, Te nanosheets were obtained by further centrifugation at 18 000 rpm for 10 min. The obtained Te nanosheets were washed with ethanol for three times, and dried in vacuum at 50 \u00b0C.\nSAC synthesis: The obtained Te nanosheets were mixed with CoCl2\u00b76H2O (5 wt% Co) directly in 5 mL of ethanol. The mixture was ground in agate mortar until dried, then the Te nanosheets CoCl2\u00b76H2O precursor sample was put into a quartz boat and heated in the quartz tube furnace at 300 \u00b0C for 2 h in Ar. The final samples were collected after cooling down to room temperature and washed with water for several times to remove the unreacted CoCl2\u00b76H2O, and dried in vacuum at 50 \u00b0C. The loading amount of Co on Te NS was 1.5 wt% measured by ICP-AES."
+ }
+ ],
+ "10.1002_adma.201900509": [
+ {
+ "id": 78,
+ "sac_id": "Atom: Pd\nSupport Material: Nitrogen-Doped Graphene (N-graphene)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: Nitrogen-Doped Graphene (N-graphene)\n\n",
+ "predicted": "Precursor synthesis: The Pd NP seeds were prepared by a wet impregnation method. Typically, 10 mL of H2O2 was added into 50 mL of CH3OH solution containing K2PdCl4 (1 mmol/mL). Then the mixture was stirred at room temperature for 6 h to obtain the Pd NP seeds. After centrifuging and washing with ethanol several times, the final products were dried in an oven at 80 \u00b0C overnight.\n\nSynthesis of Pd@N-graphene nanocatalysts: In a typical procedure, 2 mL of ethanol suspension containing 10 mg of Pd NP seeds was added into 40 mL of CH3OH solution containing 79.2 mg of dopamine hydrochloride (DA). Then, the mixed solution was magnetically stirred at room temperature for 12 h. After that, the obtained Pd NP@polydopamine (Pd NP@PDA) was separated via centrifugation and washed with H2O several times before being dried in an oven at 80 \u00b0C overnight. Subsequently, the Pd NP@PDA was dispersed into 40 mL of H2O and heated at 120 \u00b0C for 12 h in an oil bath. Afterwards, the product was collected by centrifugation and washed with H2O several times before being dried in an oven at 80 \u00b0C overnight. Finally, the product was annealed at 900 \u00b0C for 3 h under a N2 flow with a ramping rate of 5 \u00b0C min-1 to obtain Pd@N-graphene.\n\nCharacterization of Pd@N-graphene nanocatalysts: The morphology and structure of the as-prepared samples were characterized using transmission electron microscopy (TEM), high-resolution TEM (HRTEM), energy-dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD), Raman spectroscopy, and X-ray photoelectron spectroscopy (XPS). The electrochemical properties of the catalysts were evaluated by linear sweep voltammetry (LSV) and cyclic voltammetry (CV) in an Ar-saturated 0.5 m KOH electrolyte on a three-electrode system with Pd@N-graphene as the working electrode, Ag/AgCl as the reference electrode, and graphite rod as the counter electrode.",
+ "ground_truth": "Precursor synthesis: Glucose (0.5 g) and dicyandiamide (2 g) were dissolved in 30 mL of deionized water, and the resulting solution then heated in an oil-bath at 78 \u00b0C under magnetic stirring until the solution became transparent. Then, 2 mL of a Na2PdCl4 solution (6.25 mmol L-1) was added into the solution at 78 \u00b0C and the stirring continued for 2 h.\nSAC synthesis: Subsequently, the solution was frozen and the water removed by freeze-drying. The obtained powder was transferred into an alumina crucible with a cover and heated to 800 \u00b0C under an Ar atmosphere at a rate of 2 \u00b0C min-1, then annealed at 800 \u00b0C for 2 h. The Pd1/N-graphene product was then collected. Pd1/N-graphene with lower or higher Pd contents were synthesized by changing the concentration of the Na2PdCl4 solution (3.125 mmol L-1 and 12.5 mmol L-1)."
+ }
+ ],
+ "10.1002_anie.201706921": [
+ {
+ "id": 79,
+ "sac_id": "Atom: Pt\nSupport Material: CoP-based nanotube (NT) arrays supported by a Ni foam (NF)\nSynthesis Method: Electrochemical\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: CoP-based nanotube (NT) arrays supported by a Ni foam (NF)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 0.5 g of Co(NO3)2\u00b76H2O and 1 g of glucose were dispersed in 40 mL of DI water to form solution A. Then, 0.8 g of H3BO3 was added into the above solution A under stirring until it became transparent. Subsequently, 10 mL of NaOH solution (1 M) was dropped into the above solution slowly while stirring, followed by aging for 1 h at room temperature. Finally, the precipitate was filtered out, washed with DI water several times, and dried at 70 \u00b0C overnight. The obtained product was denoted as BOFs.\n\nSynthesis of NF: The commercially purchased nickel foam (99.9%) was used directly without any treatment.\n\nSynthesis of CoP-NT/CoP-NWs: The fabrication process is similar to that of Fe-CoP-NT/CoP-NWs, except for the absence of FeCl3\u00b7nH2O in the electrochemical deposition process.\n\nElectropolymerization: The electrochemical deposition of BOFs-derived CoP-NT/CoP-NWs was performed in a standard three-electrode system (CHI 660E, Shanghai CH Instruments). The as-prepared NF, BOFs-derived CoP-NT/CoP-NWs as working electrode, and saturated calomel electrode (SCE) as reference electrode were immersed in an electrolyte consisting of 10 mL of 20 mM Tris buffer (pH = 8.5), 10 mL of ethylene glycol, and 10 mM H2PtCl6. A cyclic voltammetry (CV) was conducted from 0.1 to -0.6 V at a scan rate of 5 mV s-1 for 100 cycles. Afterwards, the deposited electrode was washed with DI water and ethanol several times, and then dried at 70 \u00b0C.",
+ "ground_truth": "Precursor synthesis: The precursor samples including S1 (Figure S1) and S2 (Figure S4a) were fabricated via two hydrothermal processes, followed by a phosphidation with PH3. The details are as follows: 1 mmol Mn(NO3)2, 2 mmol Co(NO3)2 . 6H2O, 8 mmol NH4F and 10 mmol urea were dissolved in 32 mL deionized water and stirred to form a clear solution. A Ni foam (approximately 1 cm \u00d7 4 cm \u00d7 1 mm) was carefully cleaned with concentrated HCl solution (37 wt%) in an ultrasound bath for several minutes in order to remove the surface NiO layer. Then, the Ni foam (NF) was cleaned successively by deionized water, acetone and absolute ethanol. After the cleaning, the NF was dried at 60 \u00baC for 30 min. Then, it and the aqueous reagent solution of Mn(NO3)2, Co(NO3)2 . 6H2O, NH4F and urea were placed together in a 50 mL Teflon-lined stainless-steel autoclave, which was sealed and maintained at 100 \u00baC for 12 h. This hydrothermal process produced nanorod arrays on the NF (Figure S1). Then, the NF with the nanorods was immersed in a 6 M NaOH solution for 3 minutes to make its surface rough. Subsequently, the NF was transferred into another autoclave containing 1 mmol Mn(NO3)2, 2 mmol Co(NO3)2 . 6H2O, 8 mmol NH4F, 10 mmol urea and 0.1 mmol sodium citrate, which were heated at 100 \u00baC for 6 h. The second hydrothermal process produced nanosheets on the nanorods (Figure S1). After the process, the NF with the nanorods and nanosheets was rinsed several times with deionized water and ethanol, and was dried at 60 \u00baC for 6 h. Then, the NF and some NaH2PO2 powders were placed in two neighbouring porcelain boats, respectively, and their molar ratio for Co to P was 1:10. The boat with the powders was at the upstream side of the furnace. Subsequently, the NF and the powders were heated at 300 \u00baC for 3 h in an Ar atmosphere. As a result, the NF with the nanorods and nanosheets was converted to the S1 precursor sample (Figure S1). The synthesis of S2 is exactly the same as the above.\n\nSAC synthesis: PtSA-NT-NF was synthesized by a potential-cycling method, which was performed using a CHI 760E electrochemical workstation (Shanghai CHI Instruments Company) and a standard three-electrode cell containing N2-saturated 1 M PBS (pH = 7.2) at 25 \u00b0C. A precursor sample, such as S1, a Pt foil and an SCE were used as the WE, CE and RE, respectively. The area of the Pt foil and the PBS volume in the cell were 0.2 cm\u00b2 and 200 ml, respectively. On the WE and CE, 2,500, 5,000, 7,500 and 10,000 potential cycles can be carried out between -0.83 and 0 V vs RHE at a scan rate of 150 mV s\u207b\u00b9. As shown in Figure 1, we have found that 5,000 cycles can convert the precursor sample to PtSA-NT-NF."
+ }
+ ],
+ "10.1002_anie.201801103": [
+ {
+ "id": 80,
+ "sac_id": "Atom: Pd\nSupport Material: CeO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: CeO2\n\n",
+ "predicted": "Precursor synthesis: The palladium acetylacetonate (Pa(acac)) precursor was used for the impregnation.\nSynthesis: The CeO2-supported catalysts were prepared by incipient wetness impregnation using palladium acetylacetonate (Pa(acac)) as the precursor. After drying at 100 \u00b0C overnight, the impregnated powders were calcined at 500 \u00b0C for 4 h with a heating rate of 3 \u00b0C min-1 and stored under static air atmosphere. Subsequently, the samples were reduced at 300 \u00b0C for 2 h using a reduction gas composed of 10 vol% H2 and 90 vol% Ar. The resulting sample is denoted as xPd/CeO2, where x represents the Pd loading.",
+ "ground_truth": "Precursor synthesis: 3.0 g of CeCl3 \u00b7 7H2O was dissolved in distilled water, then 4 g of NaOH was rapidly added into the solution with vigorous stirring. After 15 minutes, the mixture was transferred into a stainless-steel autoclave and maintained at 130 oC for 18 h. The precipitates were collected by suction filtration, washed with distilled water three times, dried at room temperature in a vacuum oven for 6 h, and then calcined at 300 oC for 4 h in a muffle furnace.\nSAC synthesis: In a typical synthesis of Pd1/CeO2, 1.00 mg of Pd(acac)2, 100 mg of as-prepared CeO2 nanorods and 50.0 ml of ethanol were added into a round-bottom flask and stirred vigorously at 50 oC for 4 h. Then, ethanol was quickly dried out by rotary evaporation at the same temperature. The obtained mixture was calcined at 300 oC for 4 h in muffle furnace to remove the organic ligand in precursor, followed by reduced in-situ at 200 oC for 30 minutes under the flow of 5% H2 and 95% N2."
+ }
+ ],
+ "10.1002_smll.202002203": [
+ {
+ "id": 81,
+ "sac_id": "Atom: Fe\nSupport Material: Hierarchically Porous Carbon Membrane (HPCM)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Hierarchically Porous Carbon Membrane (HPCM)\n\n",
+ "predicted": "Precursor synthesis: The hierarchical porous polymer precursors were fabricated via a stepwise emulsion polymerization process. First, 10 mL of deionized water and 20 \u03bcL Nafion solution were added to a 50 mL round-bottom flask and stirred at 300 rpm for 10 min in an ice bath. Then, 0.2 g of styrene monomer was added to the flask and stirred for another 10 minutes. Subsequently, 25 mg of potassium persulfate (KPS) dissolved in 1 mL of deionized water was added to the flask and the reaction continued for 8 h. Second, 1.0 g of the obtained first-step product and 1.0 g of polyvinylpyrrolidone (PVP, Mw = 400000) were dispersed in 75 mL of deionized water with 6.0 g of NaCl by stirring overnight. Then, the mixture was transferred to a 100 mL autoclave and heated at 140 \u00b0C for 10 h under autogenous pressure. After cooling to room temperature, the second-step product was vacuum dried at 60 \u00b0C for 12 h. Third, 0.5 g of the obtained third-step product and 1.5 g of acrylic acid were dispersed in 50 mL of deionized water with 6.0 g of NaCl by stirring overnight. Then, the mixture was transferred to a 100 mL autoclave and heated at 140 \u00b0C for 10 h under autogenous pressure. After cooling to room temperature, the third-step product was vacuum dried at 60 \u00b0C for 12 h. Finally, the obtained fourth-step product was annealed at 280 \u00b0C for 2 h in N2 atmosphere with a ramping rate of 5 \u00b0C min -1. The resulting black powder was denoted as P(St-co-AA)-P/SiO2.\n\nFe-N-C/HPCM preparation: Typically, ZIF-8 was prepared according to our previous report. Briefly, 2-methylimidazole (7.5 mmol) was dissolved in 15 mL of methanol with sonication. Then, tetraethyl orthosilicate (TEOS, 15 mmol) diluted with 15 mL of methanol was added dropwise into the above solution with vigorous stirring. After stirring for 1 h, the mixture was further aged for another 2 h. Next, zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O, 0.9 mmol) dissolved in 5 mL of methanol was slowly added into the above suspension, and the mixture was stirred for 4 h at room temperature. The product was collected by centrifugation at 10000 rpm for 5 min, washed three times with methanol, and finally dried at 60 \u00b0C overnight. The resulting product was denoted as ZIF-8-SiO2. Then, ZIF-8-SiO2 and CTAB (1.0 g) were dispersed in 100 mL of hexane by sonication for 30 min. With stirring, 100 mg of dopamine hydrochloride dissolved in 10 mL of aqueous Tris-HCl buffer (pH = 8.5) was added into the above suspension. After 12 h of stirring, the product was collected by centrifugation at 10000 rpm for 5 min, washed three times with distilled water, and finally dried at 60 \u00b0C overnight. The resulting product was denoted as ZIF-8@PDA-SiO2. Then, ZIF-8@PDA-SiO2 was placed in a tube furnace and annealed at 900 \u00b0C for 2 h with a ramping rate of 5 \u00b0C min -1 in flowing Ar gas. The resulting dark solid was immersed in 5 M NaOH aqueous solution for 24 h to remove the SiO2 template, then thoroughly washed with water until pH = 7. The final product was denoted as Fe-N-C/HPCM. To obtain the HPCM without metal, the procedure was similar to that described above except for the addition of Fe(NO3)3 solution.",
+ "ground_truth": "Precursor synthesis: Poly [3-cyanomethyl-1-vinylimidazolium bis(trifluoromethane sulfonyl) imide] (PCMVImTf2N) was synthesized according to a previous method. [7]\nSAC synthesis: First, 160 mg of PCMVImTf2N, 29 mg of benzenetricarboxylic acid, and 3.0 mg of FeCl3 powder were dissolved in 1.6 mL of DMF overnight to obtain a clear solution. Then, a filter paper (FP) with a size of 1.5 \u00d7 2 cm\u00b2 was immersed in the clear solution above for 2 min. The obtained Fe-PIL@FP composite was dried at 80 \u00b0C overnight, then immersed in 0.25 wt% aqueous ammonia solution for 6 h to build porous architecture. After that, the FeN4/HPCM catalyst was synthesized by pyrolyzing the as-prepared Fe-PIL@FP at 1000 \u00b0C under Ar atmosphere for 2 h. The following temperature programming was used: The temperature was first increased from room temperature to 300 \u00b0C at a rate of 3 \u00b0C min\u207b\u00b9, and held at 300 \u00b0C for 1 h. Then, the temperature was further increased from 300 to 1000 \u00b0C at a rate of 3 \u00b0C min\u207b\u00b9, and held at 1000 \u00b0C for 2 h. After that, the temperature was naturally cooled to room temperature."
+ }
+ ],
+ "10.1002_adma.201803498": [
+ {
+ "id": 82,
+ "sac_id": "Atom: Ru\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ru\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,2-dicyanobenzene, ruthenium(III) chloride hydrate, urea, sodium hydroxide, and melamine\n\nSynthesis: In a typical procedure, 1,2-dicyanobenzene (1.0 mmol), ruthenium(III) chloride hydrate (35 mg) and urea (1.0 g) were added to deionized water (40 mL). The mixture was stirred for 1 h at room temperature followed by the addition of NaOH solution (2 M, 6 mL). After stirring for another 3 h, the solution was transferred into a Teflon-lined stainless steel autoclave and heated at 180 \u00b0C for 6 h. After cooling to ambient temperature, the resulting product was collected by centrifugation and washed with water three times. The powder was then dried in air and subjected to pyrolysis at 700 \u00b0C for 4 h under an Ar atmosphere with a heating rate of 5 \u00b0C min -1. The black powder obtained after pyrolysis was soaked in 0.5 M H2SO4 at 80 \u00b0C for 12 h to remove metallic Ru nanoparticles. Finally, the sample was collected by centrifugation and washed with water until the supernatant became neutral, and then dried in vacuum overnight.\n\nCharacterization: XRD patterns of the samples were recorded on a Bruker D8 Advanced diffractometer using Cu K\u03b1 radiation. SEM images were taken on a Hitachi S-4800 field emission scanning electron microscope operated at 15 kV. TEM images were acquired using a JEOL JEM-2100F transmission electron microscope operating at 200 kV. ICP-AES analysis was performed on a PerkinElmer SCIEX DELTA 6 Delta Coulometer. Raman spectra were measured using a Renishaw inVia Raman spectrometer equipped with a 532 nm laser. XAS measurements including XANES and EXAFS were carried out at the Beamline 12B Wiggler of the National Synchrotron Radiation Laboratory (Shanghai, China). The white beam energy was 2.9 GeV with a current of 350 mA. The harmonic energy of the beam was calibrated by carbon foil XANES acquisition. All the samples were packed into flow type capillaries before measurement. For data reduction and analysis, ATHENA, EIGER and DISTRIBUTION programs in the EXAFS package developed by the National Synchrotron Light Source (NSLS), Brookhaven National Laboratory, Upton, NY were used.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, 5.6 mmol of Zn(NO3)2\u00b76H2O was dissolved in 80 mL of methanol, which was subsequently added into 80 mL of methanol containing 3.70 g of 2-MeIM. Then the mix solution was kept at 25 o C for 12 h. The as-obtained precipitate was separated by centrifugation and washed subsequently with methanol for five times. Finally, the ZIF-8 was obtained by being dried at 65 o C under vacuum for overnight.\n\nSAC synthesis: A mixture of Zn(NO3)2\u00b76H2O (5.6 mmol) and Ru(acac)3 (0.14 mmol) was dissolved in 80 mL of methanol, which was subsequently added into 80 mL of methanol containing 3.70 g of 2-MeIM. Then the mix solution was kept at 25 o C for 12 h. The as-obtained precipitate (denoted as Ru-containing derivative of ZIF-8) was separated by centrifugation and washed subsequently with methanol for five times, and finally dried at 65 o C under vacuum for overnight. Next, the Ru-containing derivative of ZIF-8 was heated to 900 o C with a heating rate of 5 o C min -1 in a tube furnace, and kept at 900 o C under flowing N2 gas for 3 h. After the tube furnace was naturally cooled to room temperature, the Ru SAs/N-C was obtained and directly used as the catalyst without further treatment."
+ }
+ ],
+ "10.1002_anie.202004929": [
+ {
+ "id": 83,
+ "sac_id": "Atom: Pt\nSupport Material: R-Mn2O3-5D\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: R-Mn2O3-5D\n\n",
+ "predicted": "Precursor synthesis: The MnN4C2OH (MnN4C2OH-5D) molecules were synthesized as described in the previous paper. Briefly, 1 mmol of manganese chloride hexahydrate and 0.8 mmol of 2,6-diaminopyridine were dissolved in 10 mL of ethanol and stirred for 3 h at room temperature to yield a purple precipitate. Then, the solution was centrifuged, and the collected solid was washed with ethanol several times before drying under vacuum overnight. Next, 0.1 g of MnN4C2OH was dispersed into 10 mL of acetonitrile containing 0.7 mol L-1 KOH by ultrasonication for 30 min. Subsequently, the suspension was heated at 90 \u00b0C for 12 h in an oil bath. Finally, the product was collected via centrifugation and washed three times with distilled water before drying in a vacuum oven at 60 \u00b0C overnight.\n\nSynthesis of R-Mn2O3-5D: A typical procedure is as follows: 0.05 g of Mn2O3 was added to 20 mL of deionized water and sonicated for 1 h. Subsequently, 0.05 g of Mn2O3-5D was added to the mixture and sonicated for another hour. Afterward, the mixture was dried using rotary evaporation.\n\n supported on R-Mn2O3-5D (Pt/R-Mn2O3-5D): Similarly, the preparation of Pt/R-Mn2O3-5D was conducted by replacing PtCl4 in the synthesis of Pt/R-Mn2O3.",
+ "ground_truth": "Precursor synthesis: In all, 0.63 g of KMnO4 and 1.49 g of EDTA-2Na were dissolved in 140 mL deionized water. Then the obtained mixture was transferred into a 200 mL Teflon-lined stainless steel autoclave and heated at 180\u00b0C for 4 h. When cooled to room temperature, the precipitate was collected by filtration, dried at 60\u00b0C for 12 h. The as-prepared Mn3O4 was calcined at 800\u00b0C for 5 h to obtain Mn2O3.\nSAC synthesis: 1 g of as-prepared Mn3O4 was ultrasonically re-dispersed in 100 mL of deionized water, and then a certain volume of H2PtCl6 solution was added. The 80 mL diluted solution containing 2 mL of H2O2 (30 wt.%) was dropwise added to the mixture of Mn3O4 and H2PtCl6. After the redox precipitation, filtered and washed with absolute ethanol. Finally, the solid was dried at 120\u00b0C for 2 h."
+ },
+ {
+ "id": 84,
+ "sac_id": "Atom: Pt\nSupport Material: Mn2O3\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Mn2O3\n\n",
+ "predicted": "Precursor synthesis: 1.0 mmol of Mn(NO3)2\u00b74H2O was dissolved in 15 mL of deionized water, and then 1.6 mmol of Na2CO3 was added to adjust the pH value to about 7. The mixture was transferred into a 50 mL Teflon-lined stainless steel autoclave and heated at 180 \u00b0C for 12 h. After naturally cooling down to room temperature, the product was separated by centrifugation, washed three times with deionized water and ethanol, respectively. Finally, the as-obtained precipitates were dried at 60 \u00b0C overnight.\nS synthesis: The as-prepared Mn2O3 powder was mixed with KCl and Na2CO3 in a mass ratio of 1:1:1, and then the mixture was calcined at 500 \u00b0C for 2 h under air condition.\nPt loading: Pt loading was carried out by a conventional wet impregnation method. Briefly, 50 mg of S powder was dispersed in 50 mL of deionized water, and then the corresponding amount of Pt(NO3)2 solution (0.5, 1.0, 1.5, 2.0, and 2.5 mg mL -1 ) was added dropwise under continuous stirring. After evaporating water from the solution at 60 \u00b0C, the obtained solid powder was dried at 60 \u00b0C overnight and subsequently reduced in H2 at 200 \u00b0C for 2 h.",
+ "ground_truth": "Precursor synthesis: In all, 0.63 g of KMnO4 and 1.49 g of EDTA-2Na were dissolved in 140 mL deionized water. Then the obtained mixture was transferred into a 200 mL Teflon-lined stainless steel autoclave and heated at 180\u00b0C for 4 h. When cooled to room temperature, the precipitate was collected by filtration, dried at 60\u00b0C for 12 h. The as-prepared Mn3O4 was calcined at 800\u00b0C for 5 h to obtain Mn2O3.\nSAC synthesis: 1 g of as-prepared Mn3O4 was ultrasonically re-dispersed in 100 mL of deionized water, and then a certain volume of H2PtCl6 solution was added. The 80 mL diluted solution containing 2 mL of H2O2 (30 wt.%) was dropwise added to the mixture of Mn3O4 and H2PtCl6. After the redox precipitation, filtered and washed with absolute ethanol. Finally, the solid was dried at 120\u00b0C for 2 h."
+ },
+ {
+ "id": 85,
+ "sac_id": "Atom: Pt\nSupport Material: R-Mn2O3-5D\nSynthesis Method: High temperature\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: R-Mn2O3-5D\n\n",
+ "predicted": "Precursor synthesis: The MnN4C2OH (MnN4C2OH-5D) molecules were synthesized as described in the previous paper. Briefly, 1 mmol of manganese chloride hexahydrate and 0.8 mmol of 2,6-diaminopyridine were dissolved in 10 mL of ethanol and stirred for 3 h at room temperature to yield a purple precipitate. Then, the solution was centrifuged, and the collected solid was washed with ethanol several times before drying under vacuum overnight. Next, 0.1 g of MnN4C2OH was dispersed into 10 mL of acetonitrile containing 0.7 mol L-1 KOH by ultrasonication for 30 min. Subsequently, the suspension was heated at 90 \u00b0C for 12 h in an oil bath. Finally, the product was collected via centrifugation and washed three times with distilled water before drying in a vacuum oven at 60 \u00b0C overnight.\n\nSynthesis of R-Mn2O3-5D: A typical procedure is as follows: 0.05 g of Mn2O3 was added to 20 mL of deionized water and sonicated for 1 h. Subsequently, 0.05 g of Mn2O3-5D was added to the mixture and sonicated for another hour. Afterward, the mixture was dried using rotary evaporation.\n\n supported on R-Mn2O3-5D (Pt/R-Mn2O3-5D): Similarly, the preparation of Pt/R-Mn2O3-5D was conducted by replacing PtCl4 in the synthesis of Pt/R-Mn2O3.",
+ "ground_truth": "Precursor synthesis: In all, 0.63 g of KMnO4 and 1.49 g of EDTA-2Na were dissolved in 140 mL deionized water. Then the obtained mixture was transferred into a 200 mL Teflon-lined stainless steel autoclave and heated at 180\u00b0C for 4 h. When cooled to room temperature, the precipitate was collected by filtration, dried at 60\u00b0C for 12 h. The as-prepared Mn3O4 was calcined at 800\u00b0C for 5 h to obtain Mn2O3.\nSAC synthesis: 1 g of as-prepared Mn3O4 was ultrasonically re-dispersed in 100 mL of deionized water, and then a certain volume of H2PtCl6 solution was added. The 80 mL diluted solution containing 2 mL of H2O2 (30 wt.%) was dropwise added to the mixture of Mn3O4 and H2PtCl6. After the redox precipitation, filtered and washed with absolute ethanol. Finally, the solid was dried at 120\u00b0C for 2 h."
+ },
+ {
+ "id": 86,
+ "sac_id": "Atom: Pt\nSupport Material: Mn3O4\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Mn3O4\n\n",
+ "predicted": "Precursor synthesis: The Pt/Mn3O4 catalysts were prepared by a wet impregnation method. In a typical procedure, 1 g of Mn3O4 was dispersed in 50 mL of distilled water and the suspension was stirred for 30 min at room temperature. Then, the required amount of H2PtCl6 solution (0.0178 mol L-1) was added dropwise to the above suspension. After stirring for 2 h at room temperature, the resulting solution was heated to 70 \u00b0C and kept at this temperature until all water had been evaporated. The sample was then dried overnight at 100 \u00b0C and calcined at 300 \u00b0C for 2 h with a heating rate of 5 \u00b0C min-1. The obtained sample was denoted as x wt% Pt/Mn3O4, where x is the weight percent of Pt relative to Mn3O4.",
+ "ground_truth": "Precursor synthesis: In all, 0.63 g of KMnO4 and 1.49 g of EDTA-2Na were dissolved in 140 mL deionized water. Then the obtained mixture was transferred into a 200 mL Teflon-lined stainless steel autoclave and heated at 180\u00b0C for 4 h. When cooled to room temperature, the precipitate was collected by filtration, dried at 60\u00b0C for 12 h. The as-prepared Mn3O4 was calcined at 800\u00b0C for 5 h to obtain Mn2O3.\nSAC synthesis: 1 g of as-prepared Mn3O4 was ultrasonically re-dispersed in 100 mL of deionized water, and then a certain volume of H2PtCl6 solution was added. The 80 mL diluted solution containing 2 mL of H2O2 (30 wt.%) was dropwise added to the mixture of Mn3O4 and H2PtCl6. After the redox precipitation, filtered and washed with absolute ethanol. Finally, the solid was dried at 120\u00b0C for 2 h."
+ }
+ ],
+ "10.1002_anie.201904614": [
+ {
+ "id": 87,
+ "sac_id": "Atom: Pd\nSupport Material: Co/NC\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: Co/NC\n\n",
+ "predicted": "Precursor synthesis: 1.5 g of Co(NO3)2\u00b76H2O and 0.5 g of glucose were dissolved in 75 mL of deionized water, and the pH was adjusted to about 8 by adding NaOH solution (1 M). After stirring for 3 h, the precipitate was collected by centrifugation and washed with water three times. The as-obtained precipitates were dried at 60 \u00b0C overnight. 0.4 g of dried powders obtained above was annealed at 700 \u00b0C for 2 h under flowing Ar (100 sccm) with a heating rate of 5 \u00b0C min -1. The obtained samples were denoted as Co/NC.\n\nCAT synthesis: 10 mg of Co/NC support was dispersed in 25 mL of deionized water containing 0.09 mmol Pd(NH2CH2CH2NH2)2 2+ in agate mortar for 30 min. Then, the support was collected by centrifugation, washed with water three times, and dried at 60 \u00b0C overnight. Finally, the sample was reduced at 200 \u00b0C under flowing H2 (100 sccm) for 2 h. The obtained sample was named as Pd/Co/NC.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, 2-methylimidazole (1.97 g) was dissolved in a mixed solution of 30 ml methanol and 10 ml ethanol (solution A). Co(NO3)2\u00b76H2O (1.746 g) was dissolved in another mixed solution of 30 ml methanol and 10 ml ethanol (solution B). Solution A and solution B were then mixed under continuous stirring for 10 seconds, and the final solution was kept for 20 h at room temperature. The purple precipitate was collected by centrifugation, washed in ethanol several times, and dried at 80 \u00b0C.\nSAC synthesis: In a typical synthesis, 100 mg ZIF-67 powders were mixed with 50 ml ethanol by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol palladium acetylacetonate was then added into the dispersion, with rigorous stirring until the ethanol evaporated out, forming ZIF-67-Pd mixtures. Finally, the mixtures were annealed at 600 \u00b0C under argon for 2 h. This resultant product was denoted as Pd1@Co/NC."
+ },
+ {
+ "id": 88,
+ "sac_id": "Atom: Ni\nSupport Material: Co/NC\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Co/NC\n\n",
+ "predicted": "Precursor synthesis: 0.18 g of nickel nitrate (Ni(NO3)2\u00b76H2O, Alfa Aesar, 98%) was dissolved in 5 mL of ethanol and subsequently added to 0.4 g of zinc oxide (Alfa Aesar, 99.99%). The mixture was stirred for 1 h at room temperature. Then, 1-dodecanol (Aldrich, 99%) with a molar ratio of 1:1 wrt ZnO was added dropwise to the suspension. After stirring overnight, the solid was collected by centrifugation, dried at 70 \u00b0C, and calcined at 500 \u00b0C for 2 h under an air flow.\n\nElectrochemical measurements were performed using a three-electrode cell setup with a potentiostat (Gamry Interface 1000E). A graphite rod, Ag/AgCl (saturated KCl), and the working electrode (WE) were used as the counter electrode (CE), reference electrode (RE), and working electrode, respectively. Cyclic voltammetry (CV) experiments were carried out in Ar-saturated 0.1 m H2SO4 solution (100 mL) by bubble-purged for 30 min. For linear sweep voltammetry (LSV), the voltage was scanned from 0 V to -0.5 V vs RE at a rate of 5 mV s -1. All potentials reported in this work are referred to RHE and calculated by the following equation: E (V vs RHE) = E (V vs Ag/AgCl) + E (V vs RHE) Ag/AgCl + 0.0591V RE (V) /n, where E (V vs RHE), E (V vs Ag/AgCl), and E (V vs RHE) Ag/AgCl are the potentials vs RHE, Ag/AgCl, and the standard hydrogen electrode, respectively; n is the number of electrons transferred in the electrochemical reaction; V RE (V) is the potential of the RE vs V Ag/AgCl. The electrochemically hydrogenated samples (Ni-Cxy) were characterized by X-ray photoelectron spectroscopy (XPS), energy-dispersive X-ray spectroscopy (EDS), and Raman spectroscopy.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, 2-methylimidazole (1.97 g) was dissolved in a mixed solution of 30 ml methanol and 10 ml ethanol (solution A). Co(NO3)2\u00b76H2O (1.746 g) was dissolved in another mixed solution of 30 ml methanol and 10 ml ethanol (solution B). Solution A and solution B were then mixed under continuous stirring for 10 seconds, and the final solution was kept for 20 h at room temperature. The purple precipitate was collected by centrifugation, washed in ethanol several times, and dried at 80 \u00b0C.\nSAC synthesis: In a typical synthesis, 100 mg ZIF-67 powders were mixed with 50 ml ethanol by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol nickel (II) acetylacetonate was then added into the dispersion, with rigorous stirring until the ethanol evaporated out, forming ZIF-67-Ni mixtures. Finally, the mixtures were annealed at 700 \u00b0C under argon for 2 h. This resultant product was denoted as Ni1@Co/NC."
+ },
+ {
+ "id": 89,
+ "sac_id": "Atom: Ir\nSupport Material: Co/NC\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ir\nSupport Material: Co/NC\n\n",
+ "predicted": "Precursor synthesis: 1.2 g of melamine, 0.36 g of L-alanine monohydrate, and 0.54 g of cobalt nitrate hexahydrate were added into a 50 mL of deionized water solution with stirring for 12 h to obtain a clear solution (denoted as solution A). Simultaneously, 1.98 g of nickel nitrate hexahydrate was dissolved in another 50 mL of deionized water solution under stirring for 12 h (denoted as solution B). Afterwards, the two solutions were mixed together and kept stirring at room temperature for 72 h. The obtained precipitate was centrifuged and washed with deionized water several times until the pH of the supernatant reached 6.9. Then the product was dried at 60 \u00b0C overnight and calcined at 700 \u00b0C for 5 h with a ramp rate of 5 \u00b0C min -1 under an argon atmosphere. The as-prepared sample was denoted as Co/NC.\n\nSynthesis: 0.1 g of as-prepared Co/NC was dispersed into 20 mL of ethanol solution by ultrasonication for 30 min. Then, 0.1 g of IrCl4\u00b7xH2O was dissolved in 10 mL of ethanol solution under stirring for 3 h. Subsequently, the IrCl4\u00b7xH2O solution was dropped into the Co/NC solution. The mixed solution was continuously stirred for 6 h and then dried at 60 \u00b0C overnight. The obtained powder was calcined at 300 \u00b0C for 2 h and then reduced at 200 \u00b0C for 1 h under a 10% H2/Ar atmosphere. The as-obtained sample was denoted as Co/NC@Ir.",
+ "ground_truth": "Precursor synthesis: 100 mg ZIF-8 powders were mixed with 50 ml ethanol by ultrasonification for 30 min to form a homogeneous dispersion. 0.0075 mmol iridium (II) acetylacetonate was then added into the dispersion, with rigorous stirring until the ethanol evaporated out, forming ZIF-8-Ir mixtures. Finally, the mixtures were annealed at 600 \u00b0C under argon for 2 h. This resultant product was leached in 1M HCl acid for 12 hours and dried at 80 \u00b0C. The final product was denoted as Ir1@NC."
+ },
+ {
+ "id": 90,
+ "sac_id": "Atom: Ir\nSupport Material: NC\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ir\nSupport Material: NC\n\n",
+ "predicted": "Precursor synthesis: The zero-valent iridium complex [Ir{\u03ba2-C, N(ip)}{PPh3}] was prepared according to the literature.\n\nSC&D Synthesis: A mixture of (ip)H [(E)-N, N'-bis(2,6-diisopropylphenyl)ethylenediamine] (0.178 g, 0.5 mmol) and Ph3P (0.294 g, 1.1 mmol) in THF (5 mL) was stirred for 1 h at room temperature. Then, [Ir(COD)Cl2] (0.308 g, 0.5 mmol) in THF (5 mL) was added dropwise to the above solution. The resulting red solution was stirred overnight at room temperature. After all [COD]Cl had been consumed, the solvent was removed under reduced pressure, and the residue was purified by silica gel column chromatography eluting with hexane/ethyl acetate (v/v = 10:1). The product was obtained as a yellow solid. Yield: 0.335 g (64%). IR (KBr): \u03bdmax /cm -1 : 3070 (w), 2960 (m), 2870 (s), 1600 (m), 1500 (m), 1450 (s), 1380 (s), 1280 (m), 1220 (m), 1140 (m), 1080 (m), 1020 (m), 960 (w), 880 (w), 780 (s), 720 (s), 680 (m), 620 (m), 560 (w), 500 (w). 1 H NMR (300 MHz, CDCl3 ): \u03b4 /ppm : 7.30-7.10 (m, 20H), 3.00-2.80 (m, 8H), 2.70-2.50 (m, 4H), 1.20-1.00 (m, 24H), 0.90-0.80 (m, 24H). 31 P NMR (121.4 MHz, CDCl3 ): \u03b4 /ppm : -12.0. C44H60IrPPh3 (788.1): calcd. %; C 64.80, H 7.30, Ir 10.90, P 4.00; found: C 64.80, H 7.30, Ir 10.90, P 4.00.",
+ "ground_truth": "Precursor synthesis: 100 mg ZIF-8 powders were mixed with 50 ml ethanol by ultrasonification for 30 min to form a homogeneous dispersion. 0.0075 mmol iridium (II) acetylacetonate was then added into the dispersion, with rigorous stirring until the ethanol evaporated out, forming ZIF-8-Ir mixtures. Finally, the mixtures were annealed at 600 \u00b0C under argon for 2 h. This resultant product was leached in 1M HCl acid for 12 hours and dried at 80 \u00b0C. The final product was denoted as Ir1@NC."
+ },
+ {
+ "id": 91,
+ "sac_id": "Atom: Ru\nSupport Material: Co/NC\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ru\nSupport Material: Co/NC\n\n",
+ "predicted": "Precursor synthesis: 1.2 g of Ni(NO3)2\u00b76H2O and 0.8 g of Co(NO3)2\u00b76H2O were dissolved in deionized water (40 mL). 1.5 g of urea was dissolved in the aforementioned solution under ultrasonication for 15 min at room temperature. The resulting homogeneous solution was transferred into a Teflon-lined stainless steel autoclave and heated to 180 \u00b0C for 12 h. After cooling, the samples were collected by centrifugation and rinsed with deionized water three times.\nSAC synthesis: 100 mg of sulfur powder was dispersed in 20 mL of acetone under ultrasonication for 15 min at room temperature. 100 mg of Co/NC sample was added to the above mixture under ultrasonication for another 15 min at room temperature. Subsequently, 1 mL of tannic acid solution (10 mg mL -1 ) was introduced into the mixture and stirred for 1 h at room temperature. The sample was collected by centrifugation and dried overnight in a vacuum oven at 60 \u00b0C. The obtained S@Co/NC-TA was ground and mixed with RuCl3\u00b7xH2O (10 mg). The mixture was annealed at 350 \u00b0C for 2 h under an argon atmosphere.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, 2-methylimidazole (1.97 g) was dissolved in a mixed solution of 30 ml methanol and 10 ml ethanol (solution A). Co(NO3)2\u00b76H2O (1.746 g) was dissolved in another mixed solution of 30 ml methanol and 10 ml ethanol (solution B). Solution A and solution B were then mixed under continuous stirring for 10 seconds, and the final solution was kept for 20 h at room temperature. The purple precipitate was collected by centrifugation, washed in ethanol several times, and dried at 80 \u00b0C.\nSAC synthesis: In a typical synthesis, 100 mg ZIF-67 powders were mixed with 50 ml ethanol by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol ruthenium (III) acetylacetonate was then added into the dispersion, with rigorous stirring until the ethanol evaporated out, forming ZIF-67-Ru mixtures. Finally, the mixtures were annealed at 600 \u00b0C under argon for 2 h. This resultant product was denoted as Ru1@Co/NC."
+ },
+ {
+ "id": 92,
+ "sac_id": "Atom: Pt\nSupport Material: Co/NC\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Co/NC\n\n",
+ "predicted": "Precursor synthesis: 1.5 g of melamine was added into 40 mL of aqueous solution containing 2.8 g of cobalt nitrate hexahydrate and the mixture was stirred for 3 h at room temperature. Then, the obtained white suspension was transferred to Teflon-lined stainless steel autoclave and heated at 160 \u00b0C for 6 h. After cooling down to room temperature, the black powder was collected and washed with deionized water several times. The obtained sample was denoted as Co-MOF. 0.7 g of Co-MOF was placed in a ceramic boat and then annealed in a tube furnace under 900 \u00b0C for 3 h with a heating rate of 5 \u00b0C min^-1 under flowing argon gas. After cooling down to room temperature, the final product NC was obtained. 10 mg of NC was dispersed in 20 mL of deionized water with ultrasonication for 30 min. 100 \u03bcL of platinum(II) acetylacetonate solution (10 mg mL^-1) was added into the above solution under stirring for 2 h. The obtained sample was dried overnight and then calcined in a tube furnace under 900 \u00b0C for 1 h with a heating rate of 5 \u00b0C min^-1 under flowing argon gas. The obtained sample was denoted as Co/NC-Pt.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, 2-methylimidazole (1.97 g) was dissolved in a mixed solution of 30 ml methanol and 10 ml ethanol (solution A). Co(NO3)2\u00b76H2O (1.746 g) was dissolved in another mixed solution of 30 ml methanol and 10 ml ethanol (solution B). Solution A and solution B were then mixed under continuous stirring for 10 seconds, and the final solution was kept for 20 h at room temperature. The purple precipitate was collected by centrifugation, washed in ethanol several times, and dried at 80 \u00b0C.\nSAC synthesis: In a typical synthesis, 100 mg ZIF-67 powders were mixed with 50 ml ethanol by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol platinum (II) acetylacetonate was then added into the dispersion, with rigorous stirring until the ethanol evaporated out, forming ZIF-67-Pt mixtures. Finally, the mixtures were annealed at 600 \u00b0C under argon for 2 h. This resultant product was denoted as Pt1@Co/NC."
+ },
+ {
+ "id": 93,
+ "sac_id": "Atom: Fe\nSupport Material: Co/NC\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Co/NC\n\n",
+ "predicted": "Precursor synthesis: 1.2 g ferrocene, 0.3 g polyvinylpyrrolidone (PVP), and 18 g 1,2-dichlorobenzene were added into a ball mill pot and ground for 4 hours at 350 rpm. The homogeneous mixture was transferred to a capillary tube and placed in a high-temperature and high-vacuum furnace under an argon atmosphere. The temperature was ramped to 600 \u00b0C with a heating rate of 2 \u00b0C min^-1 and maintained at this temperature for 2 hours to obtain the Fe/PVP precursor powder. 97 mL ethanol and 3 mL water were mixed as the dispersion solution, and 0.1 g PVP/Fe precursor and 0.1 g NaCl were added and dispersed evenly. After stirring at room temperature for 6 hours, the SiO2 nanoparticles were added to the above dispersion solution, and the mixture was stirred for 1 hour. The solution was then transferred to a Teflon-lined autoclave and heated at 120 \u00b0C for 12 hours. After centrifuging and washing several times, the final Fe/PVP@SiO2 powders were obtained.\n\nSynthesis of Fe/PVP@SiO2/Co/NC: The prepared Fe/PVP@SiO2 was first calcined at 900 \u00b0C for 2 hours with a heating rate of 5 \u00b0C min^-1 under an Ar atmosphere. Then, 0.5 g of the resulting product was immersed in 50 mL of a C2H5OH/NH3\u00b7H2O (v/v = 10:1) solution containing 10 mg Co(NO3)2\u00b76H2O for 24 hours. Subsequently, it was calcined again at 900 \u00b0C for 2 hours with a heating rate of 5 \u00b0C min^-1 under an Ar atmosphere, yielding Fe/PVP@SiO2/Co/NC. Finally, the Fe/PVP@SiO2/Co/NC was leached with 1 M H2SO4 solution at 80 \u00b0C for 6 hours to remove the SiO2 template and unstable Co species, followed by thorough washing and drying at 80 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, 2-methylimidazole (1.97 g) was dissolved in a mixed solution of 30 ml methanol and 10 ml ethanol (solution A). Co(NO3)2\u00b76H2O (1.746 g) was dissolved in another mixed solution of 30 ml methanol and 10 ml ethanol (solution B). Solution A and solution B were then mixed under continuous stirring for 10 seconds, and the final solution was kept for 20 h at room temperature. The purple precipitate was collected by centrifugation, washed in ethanol several times, and dried at 80 \u00b0C.\nSAC synthesis: In a typical synthesis, 100 mg ZIF-67 powders were mixed with 50 ml ethanol by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol iron (III) acetylacetonate was then added into the dispersion, with rigorous stirring until the ethanol evaporated out, forming ZIF-67-Fe mixtures. Finally, the mixtures were annealed at 700 \u00b0C under argon for 2 h. This resultant product was denoted as Fe1@Co/NC."
+ }
+ ],
+ "10.1002_anie.202011495": [
+ {
+ "id": 94,
+ "sac_id": "Atom: Ag\nSupport Material: Graphitic Carbon Nitride (CN)\nSynthesis Method: Photochemical\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ag\nSupport Material: Graphitic Carbon Nitride (CN)\n\n",
+ "predicted": "Precursor synthesis: Silver nanoparticles were loaded onto graphitic carbon nitride by a simple impregnation method. The carbon nitride was dispersed in an aqueous solution of chloroauric acid, and the mixture was stirred for 24 hours at room temperature. The resulting suspension was then dried at 80\u00b0C for 12 hours to remove any residual water. The dried powder was calcined in a nitrogen atmosphere at 500\u00b0C for 2 hours with a ramp rate of 5\u00b0C/min.\n\nCN supported Au nanoclusters synthesis: A mixture of gold precursors (Au(CH3COO)3 and HAuCl4\u00b7xH2O) in ethanol was prepared in a three-necked flask. CN was added to the mixture and the resulting suspension was sonicated for 30 min. The solvent was removed by evacuation at 60\u00b0C for 12 h under vacuum. The resulting solid was calcined in a nitrogen atmosphere at 500\u00b0C for 2 h with a ramp rate of 5\u00b0C/min.\n\nCN supported Au/Ag bimetallic clusters synthesis: A mixture of gold and silver precursors (Au(CH3COO)3, HAuCl4\u00b7xH2O, and AgNO3) in ethanol was prepared in a three-necked flask. CN was added to the mixture and the resulting suspension was sonicated for 30 min. The solvent was removed by evacuation at 60\u00b0C for 12 h under vacuum. The resulting solid was calcined in a nitrogen atmosphere at 500\u00b0C for 2 h with a ramp rate of 5\u00b0C/min.",
+ "ground_truth": "Precursor synthesis: MA (1 g), CA (1 g) and AgNO3 (19 mg) were mixed uniformly by ball-milling 4 h.\nSAC synthesis: Then, the mixture was calcined at 600\u00b0C for 4 h under argon flow with a heating rate of 5\u00b0C \u00b7min -1 . Afterward, the obtained samples were donated as Ag-N4/CN. In addition, the Ag content in the Ag-N4/CN was 3.8 wt%."
+ },
+ {
+ "id": 95,
+ "sac_id": "Atom: Pt\nSupport Material: Graphitic Carbon Nitride (CN)\nSynthesis Method: Photochemical\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Graphitic Carbon Nitride (CN)\n\n",
+ "predicted": "Precursor synthesis: The preparation of Zn/Pt-ZIF was similar to that of Pt/Zn-ZIF, except that 20 mg of methylimidazole and appropriate amounts of Zn(NO3)2\u00b76H2O were added into 15 mL of DMF solution at room temperature. Subsequently, the obtained product was centrifuged, washed with ethanol several times, and dried at 70 \u00b0C for 12 h.\nSupport material synthesis: CN was prepared according to a previously reported method with some modifications. First, cyanamide (5 g) was dissolved in 50 mL of DI water by magnetic stirring. Then, zinc chloride solution (40 mL, 0.9 M) was added dropwise into the above solution for 2 h under vigorous stirring. After stirring for another 2 h, the mixture was transferred to a Teflon-lined autoclave and heated at 180 \u00b0C for 24 h. Finally, the obtained precipitate was collected by centrifugation, washed with DI water and ethanol several times, and dried at 70 \u00b0C overnight.\n1%Pt/CN preparation: First, 10 mg of CN was dispersed in 10 mL of DI water. Then, 0.25 mL of H2PtCl6\u00b76H2O solution (10 mM) was added to the above suspension under ultrasonication for 10 min. Next, the mixture was heated at 60 \u00b0C under stirring for another 12 h. Finally, the obtained sample was centrifuged, washed with DI water several times, and dried at 70 \u00b0C for 12 h.\n1%Pt/CN-500 and 1%Pt/CN-600 were prepared using the same procedure as 1%Pt/CN, except that the annealing temperature was changed to 500 \u00b0C and 600 \u00b0C, respectively.",
+ "ground_truth": "SAC synthesis: The AgNP/CN and PtNP/CN were preparation by the in-situ photocatalytic reduction. Detailedly procedure was the same as the photocatalytic H2 evolution in Photocatalytic activity test section. For AgNP/CN and PtNP/CN, the AgNO3 or H2PtCl6 solution should be added after dispersing of CN in TEOA solution. Followed evacuating and illumination, the AgNP/CN and PtNP/CN was obtained."
+ },
+ {
+ "id": 96,
+ "sac_id": "Atom: Ag\nSupport Material: Graphitic Carbon Nitride (CN)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ag\nSupport Material: Graphitic Carbon Nitride (CN)\n\n",
+ "predicted": "Precursor synthesis: Silver nanoparticles were loaded onto graphitic carbon nitride by a simple impregnation method. The carbon nitride was dispersed in an aqueous solution of chloroauric acid, and the mixture was stirred for 24 hours at room temperature. The resulting suspension was then dried at 80\u00b0C for 12 hours to remove water. The dried powder was calcined in a nitrogen atmosphere at 500\u00b0C for 2 hours with a ramp rate of 5\u00b0C/min. The obtained samples were denoted as Ag/CN.",
+ "ground_truth": "Precursor synthesis: MA (1 g), CA (1 g) and AgNO3 (19 mg) were mixed uniformly by ball-milling 4 h.\nSAC synthesis: Then, the mixture was calcined at 600\u00b0C for 4 h under argon flow with a heating rate of 5\u00b0C \u00b7min -1 . Afterward, the obtained samples were donated as Ag-N4/CN. In addition, the Ag content in the Ag-N4/CN was 3.8 wt%."
+ }
+ ],
+ "10.1002_anie.202008787": [
+ {
+ "id": 97,
+ "sac_id": "Atom: Ni\nSupport Material: N-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: N-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: ZIF-8 was prepared according to the reported method with slight modifications. 4 g of 2-methylimidazole was dissolved in 100 mL methanol solution, followed by adding 100 mL of methanol solution containing 3.9 g Zn(NO3)2\u00b76H2O. The mixture was then stirred at room temperature for 12 h and separated by centrifugation. The obtained product was then washed with methanol three times and dried at 70 \u00b0C in a vacuum oven overnight.\n\nSynthesis of Ni-ZIF-8: 0.5 g of as-prepared ZIF-8 was dispersed into 50 mL methanol solution containing 0.11 g nickel acetate tetrahydrate (Ni(CH3COO)2\u00b74H2O). After stirring for 12 h, the precipitates were collected via centrifugation and washed with methanol three times and dried at 70 \u00b0C in a vacuum oven overnight. Finally, the obtained sample was annealed at 400 \u00b0C under Ar flow for 2 h to obtain Ni-ZIF-8.\n\nSacrifice annealing: The as-prepared Ni-ZIF-8 was mixed with urea (2g) and annealed at 550 \u00b0C under Ar flow for 2 h to obtain Ni-ZIF-8/C.\n\nSecond annealing: Ni-ZIF-8/C was heated to 950 \u00b0C at a rate of 5 \u00b0C min^-1 and maintained for 2 h under Ar flow, followed by cooling to room temperature.",
+ "ground_truth": "Precursor synthesis: The ligand synthesis was performed following previous reports. [S1,S2]\nSynthesis of Ni-PCN-222: ZrOCl2 (55 mg), Ni-TCPP (4 mg), H2-TCPP (12 mg) and CF3COOH (0.22 mL) were dissolved in DMF (5 mL). The mixture was heated in 120 \u00b0C for 20 h. After cooling down to room temperature, the obtained products were separated by centrifugation and washed subsequently with DMF and acetone. The as-obtained precipitates were finally dried at 60 \u00b0C under vacuum overnight.\nSAC synthesis: The Ni-PCN-222 was heated to 800 \u00b0C within 150 min from room temperature, then maintained at this temperature for 2 h in N2 atmosphere. The metal oxides were removed by immersing the sample in the HF (20 wt%) solution at 60 \u00b0C. The black sample was collected by centrifuging, washed several times with distilled water and ethanol, and dried at 60 \u00b0C under vacuum overnight."
+ },
+ {
+ "id": 98,
+ "sac_id": "Atom: Cu\nSupport Material: N-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: N-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: Zn(NO3)2\u00b76H2O (5.58 g) was dissolved in 150 mL methanol as solution A. 2-methylimidazole (6.16 g) was dissolved in 150 mL methanol as solution B. Solution B was added to solution A with vigorous stirring at room temperature for 24 h. The precipitate was collected by centrifugation and washed with methanol three times. The as-prepared ZIF-8 was dried at 60 \u00b0C under vacuum for 12 h. ZIF-8@ZnS (200 mg) was ultrasonically dispersed in 100 mL methanol, then 400 \u03bcL triethylamine and 270 mg dopamine hydrochloride were added under vigorous stirring for 5 h. The product was collected by centrifugation and washed with methanol three times. The product was dried at 60 \u00b0C under vacuum for 12 h. The product was placed in a tube furnace and heated to 900 \u00b0C with a heating rate of 5 \u00b0C min-1 and kept for 3 h under flowing Ar gas, followed by adding 100 mL concentrated HCl and refluxed at 100 \u00b0C for 5 h. The product was washed with DI water until the pH was close to neutral, then was washed with ethanol three times. The product was dried at 60 \u00b0C under vacuum for 12 h. Cu/N-C (20 mg) was ultrasonically dispersed in 20 mL DI water, then 80 mg NaBH4 was added under vigorous stirring for 12 h. The product was washed with DI water three times and ethanol one time. The product was dried at 60 \u00b0C under vacuum for 12 h.",
+ "ground_truth": "Precursor synthesis: The ligand synthesis was performed following previous reports. [S1,S2]\nSynthesis of Cu-PCN-222: ZrOCl2 (55 mg), Cu-TCPP (4 mg), H2-TCPP (12 mg) and CF3COOH (0.22 mL) were dissolved in DMF (5 mL). The mixture was heated in 120 \u00b0C for 20 h. After cooling down to room temperature, the obtained products were separated by centrifugation and washed subsequently with DMF and acetone. The as-obtained precipitates were finally dried at 60 \u00b0C under vacuum overnight.\nSAC synthesis: The Cu-PCN-222 was heated to 800 \u00b0C within 150 min from room temperature, then maintained at this temperature for 2 h in N2 atmosphere. The metal oxides were removed by immersing the sample in the HF (20 wt%) solution at 60 \u00b0C. The black sample was collected by centrifuging, washed several times with distilled water and ethanol, and dried at 60 \u00b0C under vacuum overnight."
+ },
+ {
+ "id": 99,
+ "sac_id": "Atom: Fe\nSupport Material: N-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: N-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: ZIF-8 was prepared according to the reported method. [1] Typically, 2 mmol of Zn(NO3)2\u00b76H2O and 40 mmol of 2-methylimidazole were dissolved in 50 mL of methanol, respectively. Then, the above two solutions were mixed stirring in methanol for 1 h at room temperature. After 24 h standing, the obtained product was centrifuged and washed with methanol three times and dried under vacuum at 70 \u00b0C overnight.\n\nSynthesis of N-C: The as-prepared ZIF-8 precursors were pyrolyzed at 1100 \u00b0C for 2 h in a tube furnace with a heating rate of 5 \u00b0C min -1 under flowing Ar atmosphere.\n\nElectrochemical test: A three-electrode system was used to electrochemically test the as-prepared electrocatalysts in 0.1 M KOH solution. A piece of glassy carbon electrode (GCE), Ag/AgCl electrode (saturated KCl) and Hg/HgO electrode (saturated KOH) were served as working electrode, reference electrode and counter electrode, respectively. Firstly, 5 \u03bcL of ink suspension (containing 1 mg catalyst, 0.05 M H2SO4 and 0.1 M KOH) was drop casted onto GCE surface and then dried under lamp. The mass loading of catalyst on GCE is about 0.9 \u03bcg cm -2. Subsequently, the modified GCE electrode was used as the electrode for ORR measurement. In a N2 purged electrochemical workstation, the polarization curves of ORR were recorded at a rotation rate of 1600 rm -1. Linear sweep voltammetry (LSV) was performed from 0.85 to -0.1 V vs. RHE. All the ORR polarization curves were recorded the third time to ensure the stability of the electrode. Equation (1) was used to calculate the kinetic current of ORR.\n\nwhere, and are the current density at 0.9 V, half-wave potential (Vw) and kinetic limiting current density, respectively.\n\nThe ring current density ( ) can be calculated by equation (2):\n\nwhere n is the number of electrons transferred per turn of the ring, k is the exchange coefficient assumed to be 0.5 and i0 is the extrapolated current density at Kohrotor boundary limited by diffusion.\n\nThe ORR kinetic parameters can be determined using the Koutecky-Levich equations (equations (3) and (4)):\n\nwhere is the reciprocal of the rotation rate.\n\nwhere Iw and Ik are the ring current density at Vw and the kinetic limiting current density, respectively.",
+ "ground_truth": "Precursor synthesis: The ligand synthesis was performed following previous reports. [S1,S2]\nSynthesis of Fe-PCN-222: ZrOCl2 (55 mg), Fe-TCPP (4 mg), H2-TCPP (12 mg) and CF3COOH (0.22 mL) were dissolved in DMF (5 mL). The mixture was heated in 120 \u00b0C for 20 h. After cooling down to room temperature, the obtained products were separated by centrifugation and washed subsequently with DMF and acetone. The as-obtained precipitates were finally dried at 60 \u00b0C under vacuum overnight.\nSAC synthesis: The Fe-PCN-222 was heated to 800 \u00b0C within 150 min from room temperature, then maintained at this temperature for 2 h in N2 atmosphere. The metal oxides were removed by immersing the sample in the HF (20 wt%) solution at 60 \u00b0C. The black sample was collected by centrifuging, washed several times with distilled water and ethanol, and dried at 60 \u00b0C under vacuum overnight."
+ },
+ {
+ "id": 100,
+ "sac_id": "Atom: Co\nSupport Material: N-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: N-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: Zn(NO3)2\u00b76H2O (5.58 g) was dissolved in 150 mL methanol as solution A. 2-methylimidazole (6.16 g) was dissolved in 150 mL methanol as solution B. Solution B was added dropwise to solution A with vigorous stirring at room temperature for 24 h. The precipitate was collected by centrifugation and washed with methanol three times. The product was then dried in a vacuum oven at 60 \u00b0C overnight. ZIF-8 powder was placed in a tube furnace and heated to 900 \u00b0C with a heating rate of 5 \u00b0C min^-1 and kept for 3 h under flowing Ar gas. The obtained black powder was ground and served as the control sample without any treatment. ZIF-8@Co-N-C sample was prepared through the same procedure except that 7 mg Co(NO3)2\u00b76H2O was added into the raw material solution before calcination.\nN-C preparation: 100 mg ZIF-8@Co-N-C was treated with 20 mL concentrated HF solution under stirring at room temperature for 24 h. The precipitate was collected by centrifugation, washed with DI water until pH \u2248 7, and dried in a vacuum oven at 60 \u00b0C overnight. The obtained powder was annealed at 900 \u00b0C under Ar atmosphere for 3 h with a heating rate of 5 \u00b0C min^-1. After cooling down to room temperature, the final product was obtained, which was denoted as NF-Co-N-C.",
+ "ground_truth": "Precursor synthesis: The ligand synthesis was performed following previous reports. [S1,S2]\nSynthesis of Co-PCN-222: ZrOCl2 (55 mg), Co-TCPP (4 mg), H2-TCPP (12 mg) and CF3COOH (0.22 mL) were dissolved in DMF (5 mL). The mixture was heated in 120 \u00b0C for 20 h. After cooling down to room temperature, the obtained products were separated by centrifugation and washed subsequently with DMF and acetone. The as-obtained precipitates were finally dried at 60 \u00b0C under vacuum overnight.\nSAC synthesis: The Co-PCN-222 was heated to 800 \u00b0C within 150 min from room temperature, then maintained at this temperature for 2 h in N2 atmosphere. The metal oxides were removed by immersing the sample in the HF (20 wt%) solution at 60 \u00b0C. The black sample was collected by centrifuging, washed several times with distilled water and ethanol, and dried at 60 \u00b0C under vacuum overnight."
+ }
+ ],
+ "10.1002_anie.202004510": [
+ {
+ "id": 101,
+ "sac_id": "Atom: Mn\nSupport Material: TiO2 nanosheets\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Mn\nSupport Material: TiO2 nanosheets\n\n",
+ "predicted": "Precursor synthesis: The Mn-TiO2 samples were prepared by a similar method to the Fe-TiO2 sample. 0.5 mmol of Mn(NO3)2\u00b74H2O and 10 mmol of tetrabutyl titanate (TBOT) were dissolved into 50 mL of anhydrous ethanol under magnetic stirring at room temperature for 30 min. 5 mL of acetic acid was dropped into the above solution slowly, followed by adding 0.5 mL of deionized water. Subsequently, the homogeneous solution was transferred into a Teflon-lined autoclave and kept at 160 \u00b0C for 2 h. After cooling naturally, the white precipitates were collected by centrifugation, washed with ethanol several times, and dried at 70 \u00b0C overnight. Finally, the obtained powder was calcined at 500 \u00b0C for 3 h with a heating rate of 5 \u00b0C min -1 to obtain the Mn-TiO2 product.",
+ "ground_truth": "The Mn1/TiO2 nanosheets were engineered according to the previous literature. Initially, the mixture of MnO, K2CO3, Li2CO3, and anatase TiO2 were grinded and calcined at 1000 \u00b0C for 1 h. After that, the calcined product was grinded again and calcined at 1000 \u00b0C for 20 h. The ratio of the raw materials used in this process follows the equation: for Mn 2+ , K0.8Ti(5.2-x)/3Li(0.8-2x)/3MnxO4. In this work, the ratio of the doped Mn was set to be 0.1. The obtained titanate was further treated with HCl with the concentration of 1 mol L -1 , and repeated for three times by replacing the HCl solution every 24 hours. The liquid-to-solid ratio (HCl to titanate) was set to 100 ml g -1 . The obtained products after the previous process were washed by distilled water (18.2 M \uf057 ) and vacuum-dried. Then, the vacuum-dried titanate was exfoliated by dispersing into tetrabutylammonium (TBAOH) solution (the ratio was set to 250 ml g -1 ), for 10 days by a mechanical shaker (220 rpm). The concentration of TBA + was adjusted with respect to the exchangeable protons within the titanate. Thus, the stable colloidal suspension of Mn1/TiO2 nanosheets was obtained. Finally, the Mn1/TiO2 nanosheets were obtained after centrifugation at 20900 rpm min -1 and freezing drying for 3 days."
+ },
+ {
+ "id": 102,
+ "sac_id": "Atom: Fe\nSupport Material: TiO2 nanosheets\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: TiO2 nanosheets\n\n",
+ "predicted": "Precursor synthesis: The Fe-doped TiO2 nanosheets were prepared by a modified hydrothermal method. In a typical synthesis, 1.35 g of TiCl4 was added into 60 mL anhydrous ethanol and stirred for 30 min to form solution A. Then, 4.87 g of NaOH and 0.965 g of TBOT were dissolved in 60 mL deionized water to form solution B. After that, solutions A and B were mixed with vigorous stirring for 1 h at room temperature. After stirring, the mixture was transferred to a Teflon-lined stainless steel autoclave and heated at 180 \u00b0C for 12 h. After cooling naturally, the precipitate was washed several times with deionized water and absolute ethyl alcohol, then dried at 60 \u00b0C overnight. Finally, the obtained powder was calcined at 400 \u00b0C for 2 h with a ramp rate of 5 \u00b0C/min. The Fe-doped TiO2 samples were labeled as xFe-TiO2 (x = 0.5%, 1%, 1.5% and 2%).\n\nElectrochemical measurements: The electrochemical properties of the as-prepared photocatalysts were evaluated using a CHI 660E electrochemical workstation (Shanghai Chenhua Co., China) and a three-electrode system under visible light irradiation (\u03bb > 420 nm). A 30 mL quartz cell equipped with two graphite rod electrodes was used as the electrolyte chamber. Working electrode (WE), counter electrode (CE) and saturated calomel electrode (SCE) are Fe-TiO2 photocatalyst, graphite rod and SCE, respectively. Cyclic voltammetry (CV) experiments were performed on a CHI 660E electrochemical workstation with a potential window from -1.2 to 0 V vs. SCE at a scan rate of 10 mV s-1. Linear sweep voltammetry (LSV) tests were carried out with a potential sweeping from -1.2 to 0 V vs. SCE at a sweep rate of 0.02 V s-1. The photocurrent stability was measured after 10 min adsorption in N2 atmosphere. Ultraviolet-visible (UV-Vis) diffuse reflectance spectra (DRS) of the samples were recorded by a Shimadzu UV-360 spectrometer. Photoluminescence (PL) spectra were recorded by a FLS920 fluorescence spectromester (Edinburgh). X-ray diffraction (XRD) patterns were collected by a Rigaku D/Max-\u03b3B X-ray diffractometer with Cu K\u03b1 radiation (\u03bb = 0.154 nm). Field emission scanning electron microscope (FESEM) images were taken by a JEOL JSM-6700F field emission scanning electron microscope operated at 10 kV. Transmission electron microscopy (TEM) images were obtained by a JEOL JEM-2100 transmission electron microscope operated at 200 kV. Energy-dispersive X-ray spectroscopy (EDX) analysis was conducted by an EDAX Alpha energy dispersive spectrometer attached to the TEM. X-ray photoelectron spectroscopy (XPS) spectra were recorded using a PHOIBOS 150 MCD TELVOCIB 150 W AL K\u03b1 X-ray source (150 W AL K\u03b1) XPS (SPECS Surface Analysis GmbH) with pass energy of 20 eV. High-resolution transmission electron microscopy (HRTEM) high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) images were acquired by a JEOL JEM-ARM200F operated at 200 kV. Elemental mapping was performed by a JED-230 TEM/STEM dual beam focused ion beam/transmission electron microscope (FIB/TEM) operated at 200 kV. Raman scattering spectra were recorded by a Renishaw inVia Raman Spectrometer excited by a 532 nm laser. Fourier transform infrared (FTIR) spectra were recorded by a Thermo Scientific Nicolet iS10 FT-IR spectrometer. Inductively coupled plasma optical emission spectrometry (ICP-OES) analyses were performed by a PerkinElmer DELTA 300 ICP-OES. Thermogravimetric (TG) analysis was performed by a Netzsch STA 449 C simultaneous thermal analyzer. Horiba Jobin Yvon Fluorolog FL3-XT horiba jobin yvon fluorolog FL3-XT time-resolved fluorescence spectrophotometer equipped with an excitation source of Xe lamp was employed to record transient absorption spectra. The transient absorption spectra were measured by a time constant of 100 ms. The modulation frequency was set to 1 Hz.",
+ "ground_truth": "The Fe1/TiO2 nanosheets were engineered according to the previous literature. Initially, the mixture of Fe2O3, K2CO3, Li2CO3, and anatase TiO2 were grinded and calcined at 1000 \u00b0C for 1 h. After that, the calcined product was grinded again and calcined at 1000 \u00b0C for 20 h. The ratio of the raw materials used in this process follows the equation: for Fe 3+ , K0.8Ti(5.2-2x)/3Li(0.8-x)/3FexO4. In this work, the ratio of the doped Fe was set to be 0.1. The obtained titanate was further treated with HCl with the concentration of 1 mol L -1 , and repeated for three times by replacing the HCl solution every 24 hours. The liquid-to-solid ratio (HCl to titanate) was set to 100 ml g -1 . The obtained products after the previous process were washed by distilled water (18.2 M \uf057 ) and vacuum-dried. Then, the vacuum-dried titanate was exfoliated by dispersing into tetrabutylammonium (TBAOH) solution (the ratio was set to 250 ml g -1 ), for 10 days by a mechanical shaker (220 rpm). The concentration of TBA + was adjusted with respect to the exchangeable protons within the titanate. Thus, the stable colloidal suspension of Fe1/TiO2 nanosheets was obtained. Finally, the Fe1/TiO2 nanosheets were obtained after centrifugation at 20900 rpm min -1 and freezing drying for 3 days."
+ },
+ {
+ "id": 103,
+ "sac_id": "Atom: Ni\nSupport Material: TiO2 nanosheets\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: TiO2 nanosheets\n\n",
+ "predicted": "Precursor synthesis: The TiO2 nanosheets were prepared by a modified hydrothermal method. In a typical experiment, 10 mL titanium tetrachloride (TTC) solution was first added into the mixed solution of ethanol and deionized water with a volume ratio of 1:1 in a beaker (A), and then 40 mL hydrofluoric acid (HFA) solution with a volume fraction of 5% was dropwise added slowly to form a clear TTC solution. Meanwhile, another mixture solution B containing 3.68 g sodium titanate dihydrate, 1.97 g ammonium fluoride, and 10 mL water was heated at 80 \u00b0C until the solid was completely dissolved. After cooling down to room temperature, solution A and B were mixed together and transferred into Teflon-lined stainless-steel autoclaves and hydrothermally treated at 180 \u00b0C for 24 h. After reaction, the precipitates were collected by centrifugation, washed with deionized water several times till pH \u2248 7, and dried at 60 \u00b0C overnight.\n\nNi deposition: For the preparation of Ni/TiO2 nanosheets, 0.2 g TiO2 nanosheets were dispersed in 100 mL deionized water with ultrasonication for 30 min. Then, 0.2 M Ni(NO3)2\u00b76H2O solution was added. After ultrasonication for another 30 min, 0.1 M NaBH4 solution was introduced and the suspension was stirred for 3 h. The products were separated by filtration and washed with deionized water. Finally, they were dried at 60 \u00b0C overnight.",
+ "ground_truth": "The Ni1/TiO2 nanosheets were engineered according to the previous literature. Initially, the mixture of NiO, K2CO3, Li2CO3, and anatase TiO2 were grinded and calcined at 1000 \u00b0C for 1 h. After that, the calcined product was grinded again and calcined at 1000 \u00b0C for 20 h. The ratio of the raw materials used in this process follows the equation: for Ni 2+ , K0.8Ti(5.2-x)/3Li(0.8-2x)/3NixO4. In this work, the ratio of the doped Ni was set to be 0.1. The obtained titanate was further treated with HCl with the concentration of 1 mol L -1 , and repeated for three times by replacing the HCl solution every 24 hours. The liquid-to-solid ratio (HCl to titanate) was set to 100 ml g -1 . The obtained products after the previous process were washed by distilled water (18.2 M \uf057 ) and vacuum-dried. Then, the vacuum-dried titanate was exfoliated by dispersing into tetrabutylammonium (TBAOH) solution (the ratio was set to 250 ml g -1 ), for 10 days by a mechanical shaker (220 rpm). The concentration of TBA + was adjusted with respect to the exchangeable protons within the titanate. Thus, the stable colloidal suspension of Ni1/TiO2 nanosheets was obtained. Finally, the Ni1/TiO2 nanosheets were obtained after centrifugation at 20900 rpm min -1 and freezing drying for 3 days."
+ },
+ {
+ "id": 104,
+ "sac_id": "Atom: Cu\nSupport Material: TiO2 nanosheets\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: TiO2 nanosheets\n\n",
+ "predicted": "Precursor synthesis: 0.5 g of commercial P25 was added into a 10% hydrofluoric acid solution (50 mL) with continuous stirring for 3 h to remove the anatase phase. The precipitate was collected and thoroughly washed by deionized water until neutral, followed by drying at 80 \u00b0C overnight and calcined at 500 \u00b0C for 2 h in air to obtain pure TiO2 nanosheets.\n\nSynthesis: A certain amount of TiO2 nanosheets were dispersed in 40 mL of ethanol under ultrasonication for 30 min. Then, 0.6 mmol of copper nitrate trihydrate was added into the above mixture under magnetic stirring for 2 h. Subsequently, the mixed solution was heated and refluxed at 70 \u00b0C to evaporate the solvent. Finally, the obtained solid powder was annealed at 400 \u00b0C for 2 h to form Cu/TiO2 sample.",
+ "ground_truth": "The Cu1/TiO2 nanosheets were engineered according to the previous literature. Initially, the mixture of CuO, K2CO3, Li2CO3, and anatase TiO2 were grinded and calcined at 1000 \u00b0C for 1 h. After that, the calcined product was grinded again and calcined at 1000 \u00b0C for 20 h. The ratio of the raw materials used in this process follows the equation: for Cu 2+ , K0.8Ti(5.2-x)/3Li(0.8-2x)/3CuxO4. In this work, the ratio of the doped Cu was set to be 0.1. The obtained titanate was further treated with HCl with the concentration of 1 mol L -1 , and repeated for three times by replacing the HCl solution every 24 hours. The liquid-to-solid ratio (HCl to titanate) was set to 100 ml g -1 . The obtained products after the previous process were washed by distilled water (18.2 M \uf057 ) and vacuum-dried. Then, the vacuum-dried titanate was exfoliated by dispersing into tetrabutylammonium (TBAOH) solution (the ratio was set to 250 ml g -1 ), for 10 days by a mechanical shaker (220 rpm). The concentration of TBA + was adjusted with respect to the exchangeable protons within the titanate. Thus, the stable colloidal suspension of Cu1/TiO2 nanosheets was obtained. Finally, the Cu1/TiO2 nanosheets were obtained after centrifugation at 20900 rpm min -1 and freezing drying for 3 days."
+ },
+ {
+ "id": 105,
+ "sac_id": "Atom: Ru\nSupport Material: TiO2 nanosheets\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ru\nSupport Material: TiO2 nanosheets\n\n",
+ "predicted": "Precursor synthesis: The preparation of the polyoxometalate (POM) precursors, 12-tBu-4,5,6,7,8,9,12-heptamethylnaphtho[2,3-d]pyrano[2,3-e]pyrazinonitrate (H7tBuN), was reported in our previous work. [40]\n\nPOM-doped TiO2 synthesis: In a typical procedure, 1 mmol anatase TiO2 and 0.1 mmol H7tBuN were dispersed in 30 mL ethanol, and then the mixture was transferred into a Teflon-lined stainless steel autoclave with a capacity of 50 mL and kept at 180 \u00b0C for 24 h. After cooling to room temperature, the products were collected by centrifugation, washed with deionized water and ethanol several times, and dried at 60 \u00b0C overnight.\n\nPhotocatalytic CO2 reduction: A glass reactor filled with methanol solution (50 mL) was purged with N2 gas for 30 min to remove the air. Then, the prepared sample (0.1 g) was added to the reactor. The reaction system was maintained at 0 \u00b0C using an ice bath. Before irradiation, the reaction system was further stirred for 30 min to allow the sample to fully adsorb on the surface of water. The reaction system was irradiated under a 300-W Xenon lamp equipped with a filter that only allowed wavelengths longer than 400 nm to pass through for 24 h. After the reaction, the reaction system was further stirred for 30 min after the irradiation was turned off to allow the remaining active groups to continue to react. Finally, the samples were filtered, and the filtrate was analyzed by GC-MS.",
+ "ground_truth": "The Ru1/TiO2 nanosheets were engineered according to the previous literature. Initially, the mixture of RuO2, K2CO3, Li2CO3, and anatase TiO2 were grinded and calcined at 1000 \u00b0C for 1 h. After that, the calcined product was grinded again and calcined at 1000 \u00b0C for 20 h. The ratio of the raw materials used in this process follows the equation: for Ru 4+ , K0.8Ti(5.2-3x)/3Li0.8/3RuxO4. In this work, the ratio of the doped Ru was set to be 0.1. The obtained titanate was further treated with HCl with the concentration of 1 mol L -1 , and repeated for three times by replacing the HCl solution every 24 hours. The liquid-to-solid ratio (HCl to titanate) was set to 100 ml g -1 . The obtained products after the previous process were washed by distilled water (18.2 M \uf057 ) and vacuum-dried. Then, the vacuum-dried titanate was exfoliated by dispersing into tetrabutylammonium (TBAOH) solution (the ratio was set to 250 ml g -1 ), for 10 days by a mechanical shaker (220 rpm). The concentration of TBA + was adjusted with respect to the exchangeable protons within the titanate. Thus, the stable colloidal suspension of Ru1/TiO2 nanosheets was obtained. Finally, the Ru1/TiO2 nanosheets were obtained after centrifugation at 20900 rpm min -1 and freezing drying for 3 days."
+ },
+ {
+ "id": 106,
+ "sac_id": "Atom: Co\nSupport Material: TiO2 nanosheets\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: TiO2 nanosheets\n\n",
+ "predicted": "Precursor synthesis: The preparation procedure is the same as that of sample B1* (only changing the amount of cobalt acetylacetonate). Other steps are the same as sample A1*. Cofree-A1* is obtained by calcining A1* at 500 \u00b0C for 4 h.",
+ "ground_truth": "The Co1/TiO2 nanosheets were engineered according to the previous literature. Initially, the mixture of Co3O4, K2CO3, Li2CO3, and anatase TiO2 were grinded and calcined at 1000 \u00b0C for 1 h. After that, the calcined product was grinded again and calcined at 1000 \u00b0C for 20 h. The ratio of the raw materials used in this process follows the equation: for Co 2+ , K0.8Ti(5.2-x)/3Li(0.8-2x)/3CoxO4. In this work, the ratio of the doped Co was set to be 0.1. The obtained titanate was further treated with HCl with the concentration of 1 mol L -1 , and repeated for three times by replacing the HCl solution every 24 hours. The liquid-to-solid ratio (HCl to titanate) was set to 100 ml g -1 . The obtained products after the previous process were washed by distilled water (18.2 M \uf057 ) and vacuum-dried. Then, the vacuum-dried titanate was exfoliated by dispersing into tetrabutylammonium (TBAOH) solution (the ratio was set to 250 ml g -1 ), for 10 days by a mechanical shaker (220 rpm). The concentration of TBA + was adjusted with respect to the exchangeable protons within the titanate. Thus, the stable colloidal suspension of Co1/TiO2 nanosheets was obtained. Finally, the Co1/TiO2 nanosheets were obtained after centrifugation at 20900 rpm min -1 and freezing drying for 3 days."
+ }
+ ],
+ "10.1002_adma.201903841": [
+ {
+ "id": 107,
+ "sac_id": "Atom: Ru\nSupport Material: Ti3C2Tx MXene\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ru\nSupport Material: Ti3C2Tx MXene\n\n",
+ "predicted": "Precursor synthesis: The precursors used in this work are ruthenium chloride (RuCl3) and titanium diborate (Ti3B4O9).\nMXene synthesis: The precursor powder was etched with 10% LiF in N-methyl-2-pyrrolidone (NMP) at room temperature for 24 h. After etching, the mixture was centrifuged to separate the suspension from the unreacted residue. The supernatant containing Ti3C2Tx was washed five times by centrifuging and decanting with deionized water and NMP, respectively. Finally, the washed product was dispersed in D.I. water with sonication.\nSensing test: A certain volume of target gas was injected into a closed chamber containing a fixed amount of MXene suspension. After equilibrium, the MXene suspension was taken out and filtered. The filtered solid was washed five times by centrifuging and decanting with deionized water. The final product was dispersed in D.I. water with sonication for further analysis. For the recyclability test, the washed and filtered solid was dried at 60 \u00b0C for one day. Then the dried solid was dispersed in NMP with sonication for one hour. The suspension was then filtered, and the mass of the collected solid was recorded. The filter paper with the solid was put into a closed chamber containing a fixed volume of target gas. After equilibrium, the mass of the adsorbed gas was measured.",
+ "ground_truth": "Precursor synthesis: 1 g of Ti3AlC2 MAX phase powder was slowly immersed into a solution of 20 ml of 9 M HCl and 1 g of LiF under magnetic stirring. The solution was cooled in an ice bath to minimize localized heat from the initial exothermic reaction. The solution was then kept at 35 \u00b0C with magnetic stirring in an oil bath for 24 h. The mixture was transferred to a centrifuge tube and washed several times with deionized water (total volume of 50 ml). Each wash was performed by centrifuging at 3000 RCF for 5 min. The supernatant was decanted, and the sediment was redispersed into deionized water by hand shaking. Once the pH of the supernatant reached ~6, the final centrifuge was done at 500 RCF for 30 min after re-dispersing the sediment in deionized water. After decanting the supernatant solution containing the delaminated 2D MXene flakes, the remaining sediment consisting of multi-layer MXene was collected for the experiment and dried in a vacuum oven at 70 \u00b0C overnight.\nSAC synthesis: To synthesize the atomically dispersed ruthenium on nitrogen-doped Ti3C2Tx (Ru SA -N-Ti3C2Tx), 50 mg of Ti3C2Tx MXene was added to 25 mL of deionized water and vortex mixed for 30 min followed by mild ultrasonication for 30 min to produce a stable Ti3C2Tx MXene dispersion. Subsequently, 100 mg of urea and 0.5 mL of 15 mM RuCl3\u00b7xH2O solution were added into the Ti3C2Tx MXene suspension. Then, the mixture was mildly ultrasonicated for 30 min and stored at -80 \u00b0C overnight. Afterwards, the precursor was freeze-dried for 48 h. The obtained freeze-dried foam was placed in the middle of a single zone tube furnace (NBD-01200) and heated at 500 \u00b0C (ramp rate: 5 \u00b0C/min) for 2 h and maintained at 500 \u00b0C for 2 h under Ar (40 sccm) atmosphere. Finally, the black powder was collected, washed several times with deionized water and ethanol, and then dried at 80 \u00b0C in a vacuum oven overnight. The resultant ruthenium/nitrogen-doped Ti3C2Tx MXene was labelled as Ru SA -N-Ti3C2Tx."
+ },
+ {
+ "id": 108,
+ "sac_id": "Atom: Pt\nSupport Material: Ti3C2Tx MXene\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Ti3C2Tx MXene\n\n",
+ "predicted": "Precursor synthesis: The precursor of the Pt NPs was prepared according to a previous report. [1] Typically, 0.5 mmol of K2PtCl4 and 6 mmol of triphenylphosphine (TPP) were added into 10 mL of ethanol under stirring. After being heated at 80 \u00b0C for 1 h, the yellow powder was collected by centrifugation and washed with ethanol several times.\n\nSynthesis of Pt/Ti3C2Tx: In a typical procedure, 10 mg of the as-prepared Ti3C2Tx was dispersed in 10 mL of deionized water under sonication. Then, 10 mL of ethanol and 10 \u03bcL of the precursor of the Pt NPs were added into the Ti3C2Tx suspension under stirring. After being dried using rotary evaporation, the obtained mixture was annealed at 700 \u00b0C for 2 h under Ar flowing. Finally, the Pt/Ti3C2Tx sample was obtained by washing with DI water and ethanol several times.",
+ "ground_truth": "Precursor synthesis: 1 g of Ti3AlC2 MAX phase powder was slowly immersed into a solution of 20 ml of 9 M HCl and 1 g of LiF under magnetic stirring. The solution was cooled in an ice bath to minimize localized heat from the initial exothermic reaction. The solution was then kept at 35 \u00b0C with magnetic stirring in an oil bath for 24 h. The mixture was transferred to a centrifuge tube and washed several times with deionized water (total volume of 50 ml). Each wash was performed by centrifuging at 3000 RCF for 5 min. The supernatant was decanted, and the sediment was redispersed into deionized water by hand shaking. Once the pH of the supernatant reached ~6, the final centrifuge was done at 500 RCF for 30 min after re-dispersing the sediment in deionized water. After decanting the supernatant solution containing the delaminated 2D MXene flakes, the remaining sediment consisting of multi-layer MXene was collected for the experiment and dried in a vacuum oven at 70 \u00b0C overnight.\nSAC synthesis: To synthesize the atomically dispersed platinum on Ti3C2Tx (Pt@Ti3C2Tx), 50 mg of Ti3C2Tx MXene was added to 25 mL of deionized water and vortex mixed for 30 min followed by mild ultrasonication for 30 min to produce a stable Ti3C2Tx MXene dispersion. Subsequently, 0.5 mL of 15 mM H2PtCl6 solution was added into the Ti3C2Tx MXene suspension. Then, the mixture was mildly ultrasonicated for 30 min and stored at -80 \u00b0C overnight. Afterwards, the precursor was freeze-dried for 48 h. The obtained freeze-dried foam was placed in the middle of a single zone tube furnace (NBD-01200) and heated at 500 \u00b0C (ramp rate: 5 \u00b0C/min) for 2 h and maintained at 500 \u00b0C for 2 h under Ar (40 sccm) atmosphere. Finally, the black powder was collected, washed several times with deionized water and ethanol, and then dried at 80 \u00b0C in a vacuum oven overnight. The resultant platinum-doped Ti3C2Tx MXene was labelled as Pt@Ti3C2Tx."
+ },
+ {
+ "id": 109,
+ "sac_id": "Atom: Fe\nSupport Material: Ti3C2Tx MXene\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Ti3C2Tx MXene\n\n",
+ "predicted": "Precursor synthesis: The precursors were prepared by a hydrothermal method. Typically, 1 mmol of titanium isopropoxide was added to 60 mL of hydrofluoric acid solution (40 wt%) in a Teflon-lined stainless steel autoclave under magnetic stirring for 5 min. Then, the mixture was sealed and heated at 180 \u00b0C for 18 h. After cooling down to room temperature, the final product was obtained through washing with deionized water several times until pH \u2248 7, centrifuged, and dried at 60 \u00b0C overnight.\n\nSynthesis of Ti3C2Tx/TiO2 nanosheets: The precursors were placed into a quartz boat and transferred into a tube furnace. Under an argon flow rate of 50 sccm, the precursors were treated at 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C min^\u22121. After cooling down to room temperature naturally, the products were collected for further experiments after being washed with water three times.\n\nElectrochemical measurements: A three-electrode system was used to test the electrocatalytic performance of the samples. A piece of glassy carbon plate (3 cm \u00d7 3 cm) was used as the working electrode, while Ag/AgCl (sat.) and Pt wire were used as reference and counter electrodes, respectively. Before the measurement, 20 \u03bcL of Nafion solution was dropped onto the surface of the working electrode and waited for drying. The cyclic voltammetry (CV), linear sweep voltammetry (LSV), and chronopotentiometry (CP) tests were performed using an electrochemical workstation (CHI 660E, China). In LSV tests, the potential window was set from \u22120.2 V to 0.4 V unless otherwise stated. For the LSV curves reported in this paper, the current density was calculated based on the geometric area of the working electrode. Electrochemical impedance spectroscopy (EIS) measurements were carried out by applying an AC signal of 5 mV at the open circuit potential with a frequency ranging from 100 kHz to 1 Hz. All the potentials mentioned above were versus RHE. The specific capacitances of the working electrodes were measured by CV at different scan rates (from 5 to 50 mV s^\u22121) within the potential range from \u22120.2 to 0.4 V. The calculated specific capacities were obtained by averaging the results from two scans. The number of active sites was calculated according to the formula: n = C/F, where C is the charge transferred during the ORR process, F is Faraday's constant.",
+ "ground_truth": "Precursor synthesis: 1 g of Ti3AlC2 MAX phase powder was slowly immersed into a solution of 20 ml of 9 M HCl and 1 g of LiF under magnetic stirring. The solution was cooled in an ice bath to minimize localized heat from the initial exothermic reaction. The solution was then kept at 35 \u00b0C with magnetic stirring in an oil bath for 24 h. The mixture was transferred to a centrifuge tube and washed several times with deionized water (total volume of 50 ml). Each wash was performed by centrifuging at 3000 RCF for 5 min. The supernatant was decanted, and the sediment was redispersed into deionized water by hand shaking. Once the pH of the supernatant reached ~6, the final centrifuge was done at 500 RCF for 30 min after re-dispersing the sediment in deionized water. After decanting the supernatant solution containing the delaminated 2D MXene flakes, the remaining sediment consisting of multi-layer MXene was collected for the experiment and dried in a vacuum oven at 70 \u00b0C overnight.\nSAC synthesis: To synthesize the atomically dispersed iron on Ti3C2Tx (Fe@Ti3C2Tx), 50 mg of Ti3C2Tx MXene was added to 25 mL of deionized water and vortex mixed for 30 min followed by mild ultrasonication for 30 min to produce a stable Ti3C2Tx MXene dispersion. Subsequently, 0.5 mL of 15 mM Fe(NO3)3\u00b79H2O solution was added into the Ti3C2Tx MXene suspension. Then, the mixture was mildly ultrasonicated for 30 min and stored at -80 \u00b0C overnight. Afterwards, the precursor was freeze-dried for 48 h. The obtained freeze-dried foam was placed in the middle of a single zone tube furnace (NBD-01200) and heated at 500 \u00b0C (ramp rate: 5 \u00b0C/min) for 2 h and maintained at 500 \u00b0C for 2 h under Ar (40 sccm) atmosphere. Finally, the black powder was collected, washed several times with deionized water and ethanol, and then dried at 80 \u00b0C in a vacuum oven overnight. The resultant iron-doped Ti3C2Tx MXene was labelled as Fe@Ti3C2Tx."
+ },
+ {
+ "id": 110,
+ "sac_id": "Atom: Co\nSupport Material: Ti3C2Tx MXene\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Ti3C2Tx MXene\n\n",
+ "predicted": "Precursor synthesis: The precursors were prepared by a hydrothermal method. Typically, 1 mmol of cobalt acetylacetonate was dissolved in 50 mL ethanol and stirred for 30 min at room temperature to form solution A. Then, the mixture of 0.8 mmol tannic acid (TA) and 0.4 mmol tartaric acid (TA) in 50 mL deionized water was stirred for 30 min at room temperature to form solution B. Subsequently, solution A was added dropwise into solution B under stirring. After stirring for 6 h, the mixture was transferred into a Teflon-lined stainless steel autoclave and heated at 180 \u00b0C for 12 h. Finally, the product was cooled down to room temperature naturally, and excess water was removed by vacuum distillation.\n\nMXene synthesis: The two-step delamination method was used to prepare the MXene nanosheets. First, 100 mg of Co-tannin supramolecular coordination polymer was ultrasonically dispersed in 10 mL HF solution (40%) and then stirred for 24 h. Next, the suspension was transferred to an autoclave and heated at 100 \u00b0C for 24 h. Subsequently, the products were collected by centrifugation, washed with deionized water several times until pH \u2248 7, and dried at 60 \u00b0C overnight. Second, the as-prepared powder was placed in a home-made delamination equipment. When the power supply is turned on, an electric field will be generated between the upper and lower electrodes, which can effectively delaminate the layered structure material. After 20 minutes of high voltage treatment, the Co-tannin MXene was obtained.\n\nElectrochemical measurements: The electrochemical performance of the as-prepared materials was evaluated using a three-electrode system (CHI 660E, Shanghai CH Instruments). A working electrode was made by casting 5 \u03bcL of the ink onto carbon cloth (1 cm \u00d7 1 cm), followed by drying. The specific loading amount of active substance in the working electrode is about 0.2 mg cm^-2. The electrolyte was 0.5 M KOH solution, and a piece of glass fiber was used as a separator. The counter electrode was Pt foil, and the reference electrode was Ag/AgCl. Cyclic voltammetry (CV) was performed in the potential range from -0.5 V to -0. 3V@10 mV s^-1 for 20 cycles to activate the working electrode. EIS was measured by applying an AC signal of 5 mV at 100 kHz after 10 min equilibrium in the scan rate.",
+ "ground_truth": "Precursor synthesis: 1 g of Ti3AlC2 MAX phase powder was slowly immersed into a solution of 20 ml of 9 M HCl and 1 g of LiF under magnetic stirring. The solution was cooled in an ice bath to minimize localized heat from the initial exothermic reaction. The solution was then kept at 35 \u00b0C with magnetic stirring in an oil bath for 24 h. The mixture was transferred to a centrifuge tube and washed several times with deionized water (total volume of 50 ml). Each wash was performed by centrifuging at 3000 RCF for 5 min. The supernatant was decanted, and the sediment was redispersed into deionized water by hand shaking. Once the pH of the supernatant reached ~6, the final centrifuge was done at 500 RCF for 30 min after re-dispersing the sediment in deionized water. After decanting the supernatant solution containing the delaminated 2D MXene flakes, the remaining sediment consisting of multi-layer MXene was collected for the experiment and dried in a vacuum oven at 70 \u00b0C overnight.\nSAC synthesis: To synthesize the atomically dispersed cobalt on Ti3C2Tx (Co@Ti3C2Tx), 50 mg of Ti3C2Tx MXene was added to 25 mL of deionized water and vortex mixed for 30 min followed by mild ultrasonication for 30 min to produce a stable Ti3C2Tx MXene dispersion. Subsequently, 0.5 mL of 15 mM CoCl3 solution was added into the Ti3C2Tx MXene suspension. Then, the mixture was mildly ultrasonicated for 30 min and stored at -80 \u00b0C overnight. Afterwards, the precursor was freeze-dried for 48 h. The obtained freeze-dried foam was placed in the middle of a single zone tube furnace (NBD-01200) and heated at 500 \u00b0C (ramp rate: 5 \u00b0C/min) for 2 h and maintained at 500 \u00b0C for 2 h under Ar (40 sccm) atmosphere. Finally, the black powder was collected, washed several times with deionized water and ethanol, and then dried at 80 \u00b0C in a vacuum oven overnight. The resultant cobalt-doped Ti3C2Tx MXene was labelled as Co@Ti3C2Tx."
+ },
+ {
+ "id": 111,
+ "sac_id": "Atom: Ni\nSupport Material: Ti3C2Tx MXene\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Ti3C2Tx MXene\n\n",
+ "predicted": "Precursor synthesis: The precursors were prepared by a hydrothermal method. Typically, 1 mmol of nickel acetate tetrahydrate was dissolved in 50 mL ethylene glycol and then transferred to a Teflon-lined stainless steel autoclave at 180 \u00b0C for 4 h. After cooling down to room temperature, the black products were collected via centrifugation and washed with water and ethanol several times.\n\nSynthesis of NiO@Ti3C2Tx: In a typical procedure, 100 mg of as-prepared Ti3C2Tx was dispersed in 50 mL of deionized water under sonication for 1 h. Then, 75 mg of Ni(Ac)2\u00b74H2O was added into the above solution and stirred vigorously for 1 hour. The mixture was then heated at 90 \u00b0C in an oil bath for evaporation until the solution became viscous. Finally, the solid sample was ground to powder for further use.\n\nElectrochemical measurements: A three-electrode system was used for electrochemical measurements, where the working electrode was a current collector coated with the prepared samples, the reference electrode was Ag/AgCl (saturated KCl), and the counter electrode was Pt foil. Cyclic voltammetry (CV) was performed from 0.005 to 0.06 V vs. RHE at a scan rate of 10 mV s-1. Chronoamperometry (CA) was conducted at 0.005 V vs. RHE. Linear sweep voltammetry (LSV) was measured from 0.005 to 0.06 V vs. RHE at a scan rate of 10 mV s-1. Electrochemical impedance spectroscopy (EIS) was tested at an overpotential of 20 mV. All potentials were converted to the reversible hydrogen electrode scale.",
+ "ground_truth": "Precursor synthesis: 1 g of Ti3AlC2 MAX phase powder was slowly immersed into a solution of 20 ml of 9 M HCl and 1 g of LiF under magnetic stirring. The solution was cooled in an ice bath to minimize localized heat from the initial exothermic reaction. The solution was then kept at 35 \u00b0C with magnetic stirring in an oil bath for 24 h. The mixture was transferred to a centrifuge tube and washed several times with deionized water (total volume of 50 ml). Each wash was performed by centrifuging at 3000 RCF for 5 min. The supernatant was decanted, and the sediment was redispersed into deionized water by hand shaking. Once the pH of the supernatant reached ~6, the final centrifuge was done at 500 RCF for 30 min after re-dispersing the sediment in deionized water. After decanting the supernatant solution containing the delaminated 2D MXene flakes, the remaining sediment consisting of multi-layer MXene was collected for the experiment and dried in a vacuum oven at 70 \u00b0C overnight.\nSAC synthesis: To synthesize the atomically dispersed nickel on Ti3C2Tx (Ni@Ti3C2Tx), 50 mg of Ti3C2Tx MXene was added to 25 mL of deionized water and vortex mixed for 30 min followed by mild ultrasonication for 30 min to produce a stable Ti3C2Tx MXene dispersion. Subsequently, 0.5 mL of 15 mM NiCl2\u00b76H2O solution was added into the Ti3C2Tx MXene suspension. Then, the mixture was mildly ultrasonicated for 30 min and stored at -80 \u00b0C overnight. Afterwards, the precursor was freeze-dried for 48 h. The obtained freeze-dried foam was placed in the middle of a single zone tube furnace (NBD-01200) and heated at 500 \u00b0C (ramp rate: 5 \u00b0C/min) for 2 h and maintained at 500 \u00b0C for 2 h under Ar (40 sccm) atmosphere. Finally, the black powder was collected, washed several times with deionized water and ethanol, and then dried at 80 \u00b0C in a vacuum oven overnight. The resultant nickel-doped Ti3C2Tx MXene was labelled as Ni@Ti3C2Tx."
+ }
+ ],
+ "10.1002_anie.201803272": [
+ {
+ "id": 112,
+ "sac_id": "Atom: Au\nSupport Material: CeO2\nSynthesis Method: Solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Au\nSupport Material: CeO2\n\n",
+ "predicted": "Precursor synthesis: Gold nanoparticles were prepared by the reduction method. Specifically, 1 mmol HAuCl4 was added to 5 mL freshly prepared NaBH4 (0.1 M) solution with magnetic stirring for 30 min at room temperature to obtain Au nanoparticles. The as-prepared Au nanoparticles were washed three times with deionized water and ethanol, respectively, and then dried in a vacuum oven at 60 \u00b0C overnight.\nSupport synthesis: Cerium oxide powder was dispersed in anhydrous ethanol (200 mL), followed by ultrasonication for 30 min. Next, the mixture was refluxed for 7 h. After cooling down to room temperature, the powder was collected via centrifugation and dried in a vacuum oven at 60 \u00b0C overnight.\nImpregnation: The dried cerium oxide powder was uniformly mixed with the gold precursor solution through mechanical stirring for 8 h. Subsequently, the mixture was heated at a rate of 2 \u00b0C/min to 90 \u00b0C and kept at this temperature for 12 h under vigorous stirring. Finally, the sample was cooled down to room temperature and dried in a vacuum oven at 60 \u00b0C overnight.\nCalcination: The obtained dried sample was calcined in air at a ramping rate of 5 \u00b0C/min to the targeted temperature and kept for 2 h.",
+ "ground_truth": "Precursor synthesis: CeO2 support was prepared by a co-precipitation method. In detail, an aqueous solution of cerium nitrate hexahydrate (Ce(NO3)3\u00b76H2O, 1 mol/L) was added dropwise to an aqueous solution of sodium carbonate (Na2CO3, 1 mol/L) under stirring at 50 o C, with the pH value of the resulting solution controlled at ca. 8. After continuing stirring and aging for 3 h, respectively, the resulting precipitate was recovered by filtration and with multiple washing. The recovered solid was dried at 60 o C for 5 h and then calcined at 400 o C for 5 h.\nSAC synthesis: CeO2 supported Au single-atom catalyst (SAC) was prepared by a facile adsorption method. Typically, 1 g homemade CeO2 powder was dispersed in deionized water with rigorous stirring. Appropriate amount of HAuCl4 solutions were added dropwise into the CeO2 solution under stirring. After continuing stirring for 2 h and followed by aging for 2 h, the solution was filtered and washed with deionized water for several times, and then dried at 60 o C for 5 hours without any heat treatment hereafter. The synthesized catalyst was denoted as 0.04 wt% Au1/CeO2."
+ },
+ {
+ "id": 113,
+ "sac_id": "Atom: Pt\nSupport Material: CeO2\nSynthesis Method: Solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: CeO2\n\n",
+ "predicted": "Precursor synthesis: The aqueous solutions of Pt and Ce were prepared by dissolving the appropriate amounts of chloride salts in distilled water.\n\nSynthesis: A series of Pt/CeO2 catalysts with different Pt loadings (0.5, 1, 3, and 6 wt%) were prepared using an incipient wetness impregnation method. In this process, the CeO2 support was impregnated with the appropriate amount of the aqueous solution containing the Pt precursor. After impregnation, the samples were dried at 473 K for 12 h. Subsequently, the catalysts were calcined at 823 K for 5 h in air, with a heating rate of 5 K min-1. To evaluate the catalytic performance of the prepared catalysts, the CO oxidation reaction was conducted under the following conditions: temperature = 423-523 K, partial pressure of CO = 10 kPa, space velocity of CO = 100 mL gcat-1 h-1, and residence time = 0.1 s. The conversion of CO was measured to assess the catalytic activity.",
+ "ground_truth": "Precursor synthesis: CeO2 support was prepared by a co-precipitation method. In detail, an aqueous solution of cerium nitrate hexahydrate (Ce(NO3)3\u00b76H2O, 1 mol/L) was added dropwise to an aqueous solution of sodium carbonate (Na2CO3, 1 mol/L) under stirring at 50 o C, with the pH value of the resulting solution controlled at ca. 8. After continuing stirring and aging for 3 h, respectively, the resulting precipitate was recovered by filtration and with multiple washing. The recovered solid was dried at 60 o C for 5 h and then calcined at 400 o C for 5 h.\nSAC synthesis: CeO2 supported Pt SAC with Pt loading of 0.05 wt% was prepared by the same method to that for the Au1/CeO2 preparation except that H2PtCl6\u00b76H2O was used to substitute the HAuCl4\u00b74H2O, and the catalyst is denoted as Pt1/CeO2."
+ }
+ ],
+ "10.1002_adma.202004900": [
+ {
+ "id": 114,
+ "sac_id": "Atom: Fe\nSupport Material: Graphitic Nanosheets (Fe/N-G-SAC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Graphitic Nanosheets (Fe/N-G-SAC)\n\n",
+ "predicted": "Precursor synthesis: 0.5 g of graphite powder was added to 40 mL of concentrated sulfuric acid and stirred for 30 min in an ice bath. 1.2 g of potassium permanganate was slowly added to the dispersion under stirring, and the temperature of the system was kept below 20 \u00b0C by cooling. After aging at room temperature for 24 h, the mixture was heated to 90 \u00b0C and diluted with 40% hydrofluoric acid to a final HF percentage of 2.5 M. The mixture was then stirred at 90 \u00b0C for another 6 h until the color of the solution changed to yellow. Finally, the suspension was cooled down, filtered through a PTFE filter (0.2 \u03bcm pore size), and washed three times with deionized water to remove most of the acidic solution. The solid residue was dried in air oven at 80 \u00b0C overnight. Another batch of graphite oxide was prepared using the same procedure without adding KMnO4.\n\nFe1/N-G-SAC synthesis: 0.07 g of graphite oxide was dispersed in 10 mL of DI water by ultrasonication for 30 min. 0.03 g of FeCl3\u00b76H2O was added into the graphite oxide dispersion and stirred for 30 min. The mixed solution was frozen by liquid nitrogen and freeze-dried in vacuum. The obtained solid was ground into powder and transferred to a tube furnace. The sample was annealed at 800 \u00b0C for 2 h under Ar gas flow (100 sccm). The final product is named as Fe1/N-G-SAC.",
+ "ground_truth": "Precursor synthesis: For the synthesis of Fe/N-G-SAC, 200 mg 1,8-diaminonaphthalene (DAN) monomer was firstly dissolved in 50 mL ethanol under continuous stirring at room temperature, then 2 g FeCl3.6H2O as oxidant was added with vigorous stirring. The polymerization was conducted for 12 h. After drying the mixture by using a rotary evaporator, the obtained PDAN/FeCl3 composites were pyrolyzed under flowing N2 at 950 \u2103 for 1h. The unstable Fe species were etched out finally by 1 M HCl to obtain the final product.\nSAC synthesis: For the synthesis of Fe/N-G-SAC, 200 mg 1,8-diaminonaphthalene (DAN) monomer was firstly dissolved in 50 mL ethanol under continuous stirring at room temperature, then 2 g FeCl3.6H2O as oxidant was added with vigorous stirring. The polymerization was conducted for 12 h. After drying the mixture by using a rotary evaporator, the obtained PDAN/FeCl3 composites were pyrolyzed under flowing N2 at 950 \u2103 for 1h. The unstable Fe species were etched out finally by 1 M HCl to obtain the final product."
+ }
+ ],
+ "10.1002_adma.201900592": [
+ {
+ "id": 115,
+ "sac_id": "Atom: Co\nSupport Material: Graphene (G)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Graphene (G)\n\n",
+ "predicted": "Precursor synthesis: Cobalt acetate tetrahydrate, 1,10-phenanthroline monohydrate, and ethylenediamine were used as precursors.\nSynthesis process: In a typical experiment, 20 mg graphene was dispersed in 5 mL ethylenediamine to form a black solution under magnetic stirring. Then, 468 mg cobalt acetate tetrahydrate was added into the above solution with stirring for 3 h at room temperature. Next, 972 mg 1,10-phenanthroline monohydrate was introduced into the suspension and stirred for another 3 h. The obtained mixture was then transferred into a 50 mL Teflon-lined stainless steel autoclave and heated at 180 \u00b0C for 12 h. After cooling down naturally, the resulting black product was separated by centrifugation, washed three times with deionized water, and dried at 60 \u00b0C overnight.\nCharacterization: Scanning electron microscopy (SEM), transmission electron microscopy (TEM), high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM), X-ray photoelectron spectroscopy (XPS), and Raman spectra were employed to characterize the morphology, structure, and composition of the samples. Electrochemical measurements were conducted using a three-electrode system with a Zn electrolyte. Cycling voltammetry (CV), linear sweep voltammetry (LSV), and chronopotentiometry tests were performed to evaluate the electrocatalytic performance of the catalysts.",
+ "ground_truth": "Precursor synthesis: Graphene (G) was fabricated by high-temperature reduction of graphite oxide in an inert atmosphere, as reported in previous publications.\n\nSAC synthesis: 73.5 mg BDA and 490 mg cobalt acetate were dissolved in 100 mL propionic acid under stirring. 76.0 \u03bcL pyrrole, 1.0 mL TFA, and 3.0 mL NBZ were added. The solution was heated to 130 \u00b0C, kept for 12.0 h under continuous stirring, and cooled to room temperature overnight. The product was filtered, washed with ethanol, chloroform, and ethanol, and dried at 60 \u00b0C for 24.0 h to obtain Co/sPOF. Co/sPOF was pyrolyzed at 950 \u00b0C under continuous argon and hydrogen flow. The pyrolysis product (p-Co/sPOF) was washed with HCl aqueous solution, filtered, washed with deionized water, and dried at 60 \u00b0C for 24.0 h to obtain Co-sPOF."
+ },
+ {
+ "id": 116,
+ "sac_id": "Atom: Co\nSupport Material: Graphene (G) and framework porphyrin (POF)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Graphene (G) and framework porphyrin (POF)\n\n",
+ "predicted": "Precursor synthesis: First, the graphene was prepared by a modified Hummers' method. Then, the graphene oxide was obtained by oxidizing the graphene with H2SO4 and HNO3 in a round-bottom flask under continuous stirring at 60 \u00b0C for 12 h. Subsequently, the graphene was received after washing with deionized water and ethanol to remove residual acid and other impurities. In addition, the bulk Zn(II) was dissolved in DMF solvent, followed by adding pyrrole monomer. After polymerization, ZIF-8 was adsorbed on the surface of the polymer. Then, the obtained product was washed several times with methanol to remove the ZIF-8 inside. The final product was dried at room temperature for 12 h in a vacuum oven. The obtained material was denoted as POF.\nSynthesis of Co@G/POF. Initially, graphene was prepared by a modified Hummers' method. Then, the graphene was oxidized with H2SO4 and HNO3 in a round-bottom flask under continuous stirring at 60 \u00b0C for 12 h. Subsequently, sodium borohydride was added dropwise to reduce the graphene oxide to graphene. To prepare Co@G/POF, a two-step process was employed. First, the graphene was dispersed in a DMF solvent containing Co(II). Then, the mixture was ultrasonicated for 1 h, followed by heating at 70 \u00b0C for 5 h. Next, the mixture was centrifuged, and the obtained precipitate was washed with methanol and dried at room temperature for 12 h in a vacuum oven. The final product was denoted as Co@G/POF.",
+ "ground_truth": "Precursor synthesis: Graphene (G) was fabricated by high-temperature reduction of graphite oxide in an inert atmosphere, as reported in previous publications.\n\nSAC synthesis: 73.5 mg BDA and 490 mg cobalt acetate were dissolved in 100 mL propionic acid under stirring. 76.0 \u03bcL pyrrole, 1.0 mL TFA, and 3.0 mL NBZ were added. The solution was heated to 130 \u00b0C, kept for 12.0 h under continuous stirring, and cooled to room temperature overnight. The product was filtered, washed with ethanol, chloroform, and ethanol, and dried at 60 \u00b0C for 24.0 h to obtain Co/sPOF. Co/sPOF was pyrolyzed at 950 \u00b0C under continuous argon and hydrogen flow. The pyrolysis product (p-Co/sPOF) was washed with HCl aqueous solution, filtered, washed with deionized water, and dried at 60 \u00b0C for 24.0 h to obtain Co-sPOF."
+ },
+ {
+ "id": 117,
+ "sac_id": "Atom: Co\nSupport Material: Framework porphyrin (POF)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Framework porphyrin (POF)\n\n",
+ "predicted": "Precursor synthesis: Typically, a mixture of 4-cyano pyridine (0.5 mmol), H2H2 (0.1 mmol) and anhydrous ZnCl2 (3.0 mmol) was taken in a glass vial and degassed by three freeze-pump-thaw cycles. The vial was then heated to 170 \u00b0C for 24 h under N2 pressure. After cooling to room temperature, the resulting mixture was dissolved in dichloromethane and sequentially washed with water (\u00d7 3) and brine. The organic layer was dried over anhydrous Na2SO4 and evaporated under reduced pressure. Purification by column chromatography on silica gel afforded the desired product 6a as a dark red solid in 89% yield.\n\nSO2-Py SO2-Py H2H2 MeONa \u00b7 H2H2\n\nThe above complexes were treated with MeOH and SO2 gas at room temperature followed by purification using column chromatography on silica gel, the corresponding sulfonate salts were obtained in good yields.\n\nSulfonation of H2H2 and MeONa \u00b7 H2H2 resulted in the formation of the respective sulfonate salts 3b and 3c in 87% and 85% isolated yields, respectively.",
+ "ground_truth": "Precursor synthesis: Graphene (G) was fabricated by high-temperature reduction of graphite oxide in an inert atmosphere, as reported in previous publications.\n\nSAC synthesis: 73.5 mg BDA and 490 mg cobalt acetate were dissolved in 100 mL propionic acid under stirring. 76.0 \u03bcL pyrrole, 1.0 mL TFA, and 3.0 mL NBZ were added. The solution was heated to 130 \u00b0C, kept for 12.0 h under continuous stirring, and cooled to room temperature overnight. The product was filtered, washed with ethanol, chloroform, and ethanol, and dried at 60 \u00b0C for 24.0 h to obtain Co/sPOF. Co/sPOF was pyrolyzed at 950 \u00b0C under continuous argon and hydrogen flow. The pyrolysis product (p-Co/sPOF) was washed with HCl aqueous solution, filtered, washed with deionized water, and dried at 60 \u00b0C for 24.0 h to obtain Co-sPOF."
+ }
+ ],
+ "10.1002_anie.201805871": [
+ {
+ "id": 118,
+ "sac_id": "Atom: N\nSupport Material: Carbon black (BP2000)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: N\nSupport Material: Carbon black (BP2000)\n\n",
+ "predicted": "Precursor synthesis: 1,4-Dithiothreitone (1.3 mmol), ZrCl4 (0.65 mmol), and anhydrous HCl (9 M, 0.7 mL) were added into a three-necked round bottom flask with a magnetic stirring bar under an atmosphere of nitrogen. The reaction mixture was dissolved in dichloromethane (10 mL) and refluxed for 8 h. After cooling down to room temperature, the precipitate was filtered off by vacuum filtration and washed with dichloromethane (2 \u00d7 10 mL). The red solid was then suspended in acetonitrile (10 mL) and the precipitate was removed by vacuum filtration. The supernatant was concentrated under reduced pressure at 40 \u00b0C. Acetonitrile was added to the remaining solution until a slurry formed, and this was repeated twice more. The resulting solid was dried overnight under vacuum at 60 \u00b0C.\n\nSynthesis of Zr-based MILs: A typical procedure was as follows: Zr(IV)-based MILs were prepared using 1,4-dithiothreitone as the linker molecule. To a three-necked round bottom flask containing a stoichiometric amount of 1,4-dithiothreitone dissolved in acetonitrile (10 mL) was added ZrCl4 (0.65 mmol) under an atmosphere of nitrogen. The reaction mixture was refluxed for 8 h, and the resulting precipitate was isolated by vacuum filtration. The obtained solid was then suspended in acetonitrile (10 mL) and the precipitate was removed by vacuum filtration. The solid was dried overnight under vacuum at 60 \u00b0C.\n\nPreparation of MIL-53(Zr)/CB composites: The MIL-53(Zr)/CB composites were prepared via a simple solvothermal method. In a typical procedure, 10 mg of MIL-53(Zr) was dispersed in 20 mL of deionized water under sonication for 10 min. Then, 100 mg of carbon black (BP2000) was added to the above solution under vigorous stirring for 1 h. The resulting mixture was transferred into a Teflon-lined autoclave and heated at 180 \u00b0C for 12 h. After cooling to room temperature, the product was collected by centrifugation and washed with deionized water and ethanol several times before being dried in vacuum at 60 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: Amount of BP with 30 mL 6 M HNO3 was stirred and refluxed at 80 \u00b0C for several hours, then dried up using a rotary evaporator at 60 \u00b0C. The refluxed BP was mixed with an amount of urea (mass ratio of BP: urea = 1:15). SAC synthesis: The mixtures were pyrolyzed at 1000 \u00b0C for 1 h under nitrogen atmosphere after being well grounded together. Then the pyrolyzed powder was collected and denoted as BP-N (or N-C)."
+ },
+ {
+ "id": 119,
+ "sac_id": "Atom: Zn\nSupport Material: Carbon black (BP2000)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Zn\nSupport Material: Carbon black (BP2000)\n\n",
+ "predicted": "Precursor synthesis: Zinc acetate dihydrate (1.48 g, 6.3 mmol), benzoic acid (5.7 g, 46 mmol) and hydroxylamine hydrochloride (7.9 g, 110 mmol) were mixed together and ground thoroughly with a mortar and pestle. The resulting powder was transferred to an alumina crucible (Al2O3, basic, 3 ml/g powder) and covered, then placed in a muffle furnace and heated at 200 \u00b0C for 2 h. After cooling down to room temperature, the product was transferred to a Schlenk tube under nitrogen and heated at 350 \u00b0C for 2 h. After cooling down to room temperature, the brown solid was washed with n-propanol and dried under vacuum at 120 \u00b0C overnight to yield 1 (75% yield based on zinc).\n\nSynthesis of Zn-N4: A mixture of 100 mg of BP2000 and 25 mg of Zn-N4 was dispersed in 50 mL DMF by sonication for 30 min. Then, 200 \u03bcL folic acid solution (10 mg mL-1) was added into above suspension and continued sonicating for another 30 min. The mixture was stirred magnetically at 60 \u00b0C for 12 h to evaporate water. Subsequently, the carbon black was separated by centrifugation and washed with DMF and ethanol three times respectively, followed by drying under vacuum at 80 \u00b0C overnight. Finally, the black powder was collected as Zn-N4@carbon black.",
+ "ground_truth": "Precursor synthesis: Amount of BP with 30 mL 6 M HNO3 was stirred and refluxed at 80 \u00b0C for several hours, then dried up using a rotary evaporator at 60 \u00b0C. The refluxed BP was mixed with an initial Zn content of 1.5% without urea. SAC synthesis: The mixtures were pyrolyzed at 1000 \u00b0C. The final product was denoted as BP-Zn (or Zn-C)."
+ }
+ ],
+ "10.1002_adfm.202002471": [
+ {
+ "id": 120,
+ "sac_id": "Atom: Zn\nSupport Material: MXene (Ti3C2Cl2)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Zn\nSupport Material: MXene (Ti3C2Cl2)\n\n",
+ "predicted": "Precursor synthesis: 1.0 g of Ti3C2O2 was dispersed in 50 mL of deionized water under sonication for 30 min to obtain a homogeneous suspension. 4.8 g of LiCl was added to the above solution, followed by stirring for 6 h at room temperature. Subsequently, the obtained mixture was centrifuged and washed with deionized water three times and then dried in vacuum at 60 \u00b0C overnight. The dried powder was ground into fine powder and then sealed in an argon-filled glove box for later use.\n\nSynthesis of Zn/MXene composites: A certain amount of reduced graphene oxide (RGO), polyvinylpyrrolidone (PVP), and deionized water were added to the precursor of Ti3C2Cl2. The mass ratio of RGO, PVP, Ti3C2Cl2, and deionized water is 0.02 : 0.02 : 1 : 7.5. Then, the mixture was dispersed in ethanol by sonication for 30 min and stirred at room temperature for 12 h. Afterward, the mixed solution was evaporated to dryness in a rotary evaporator at 60 \u00b0C. The obtained powder was annealed at 900 \u00b0C for 2 h under an Ar atmosphere with a heating rate of 5 \u00b0C min^-1. Finally, Zn/MXene composites were obtained after washing with hydrochloric acid solution and deionized water for several times and drying.",
+ "ground_truth": "Precursor synthesis: Initially, 6 g ZnCl2 and 1 g Ti3AlC2 powders were mixed and annealed at 600 oC for 5 h under Ar atmosphere. After cooling down to room temperature, the obtained product was added into 2 M HCl and stirred for 10 h. Then the dispersion was centrifugated and washed for several times to remove residual salts and acid, generating accordion-like SA-Zn-MXene. To fabricate SA-Zn-MXene layers, 1g accordion-like SA-Zn-MXene was dispersed into 80 mL isopropanol and then sonicated for 20 h. After sonification, the dispersion was centrifugated at 6000 rpm min -1 for 15 minutes to remove the residues. The dispersion was then centrifugated at 10000 rpm min -1 for 10 minutes, generating SA-Zn-MXene layers.\nSAC synthesis: S@SA-Zn-MXene was fabricated by quickly adding SA-Zn-MXene aqueous dispersion to sulfur spheres aqueous suspension (sulfur/SA-Zn-MXene = 9/1, in weight) under sonification (1 min). After filtration and freeze drying, S@SA-Zn-MXene was obtained."
+ }
+ ],
+ "10.1002_anie.202006175": [
+ {
+ "id": 121,
+ "sac_id": "Atom: Co\nSupport Material: N/P-doped mesoporous carbon nanospheres\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: N/P-doped mesoporous carbon nanospheres\n\n",
+ "predicted": "Precursor synthesis: 1.5 g of Pluronic P123 and 0.48 g of sodium citrate were dissolved in a mixture of 69.6 mL of deionized water, 10.4 mL of 28% NH3 \u00b7 H2O, and 7.5 mL of ethanol at 35 \u00b0C overnight with stirring.\n\nSynthesis of dopamine hydrogel: 1.0 g of Pluronic P123 and 0.48 g of sodium citrate were dissolved in a mixture of 69.6 mL of deionized water, 10.4 mL of 28% NH3 \u00b7 H2O, and 7.5 mL of ethanol at 35 \u00b0C overnight with stirring. 150 mg of dopamine hydrochloride was added to the above solution, which was stirred for another 24 h at room temperature. The resulting suspension was then centrifuged and washed with water until the supernatant became neutral. The final product was dried in an oven at 60 \u00b0C overnight.\n\nDoping of phytic acid into dopamine hydrogel: 1.0 g of dopamine hydrogel was dispersed in 10 mL of deionized water under ultrasonication for 10 min. 0.1 g of phytic acid was weighed and dispersed in 5 mL of deionized water by ultrasonication for 10 min. Then, the two solutions were mixed and ultrasonicated for another 10 min before being dried in an oven at 60 \u00b0C overnight. The obtained powder was calcined at 800 \u00b0C for 2 h with a heating rate of 3 \u00b0C min-1 under flowing air. The as-prepared sample was labeled BPCNS.\n\nPyrolysis: The prepared BPCNS powder was calcined at 800 \u00b0C for 2 h with a heating rate of 3 \u00b0C min-1 under flowing air. The as-prepared sample was labeled Co-BPCNS.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, TA (0.12 g, 0.071 mmol) was dissolved in acetonitrile (40 mL). Then, TEA (4 mL) was added, followed by ultrasonication (160 W, 50 Hz) at 35 \u00b0C for 45 min. Subsequently, HCCP (0.1 g, 0.288 mmol) and BPS (0.1 g, 0.400 mmol) were dissolved in acetonitrile (60 mL), which were dropped into the above solution. The polycondensation reaction was carried out in an ultrasonic bath under the same conditions for another 1.5 h. The precipitates were collected by centrifugation (9000 rpm), washed for three times using ethanol and deionized water (300 mL) respectively, and dried at 50 \u00b0C in vacuum overnight to afford PSTA as a yellowish powder.\nSAC synthesis: In a typical synthesis of PSTA-Co, F127 (0.2 g) was dissolved in ethanol (20 mL). Then, PSTA (0.2 g) was added to the solution and dispersed uniformly by ultrasonication (160 W, 50 Hz) for 1 h. Co(OAc)2\u00b74H2O (0.3 g) was dissolved in ethanol (20 mL), which was added dropwise into the above system, followed by stirring for 24 h. The products were collected by centrifugation (9000 rpm), washed for three times using deionized water and ethanol (150 mL) respectively, and dried at 50 \u00b0C in vacuum overnight. PSTA-Co nanospheres were directly used as the catalyst precursor, which were heated to 750 \u00b0C and kept in a quartz tube under constant argon flow for 3 h. The heating rate was 10 \u00b0C min -1. The resulting materials were washed with 3 M HCl solution and deionized water for three times and dried at 70 \u00b0C in vacuum overnight. The dried black powder samples were heated to a certain temperature (800, 900, 1000, 1100, or 1200 \u00b0C) and kept under a flowing argon atmosphere with a heating rate of 10 \u00b0C min -1 for 3 h to obtain PSTA-Co-T."
+ },
+ {
+ "id": 122,
+ "sac_id": "Atom: CoNi\nSupport Material: N/P-doped mesoporous carbon nanospheres\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: CoNi\nSupport Material: N/P-doped mesoporous carbon nanospheres\n\n",
+ "predicted": "Precursor synthesis: 1.5 g of Pluronic P123 and 0.6 g of TMB were dissolved in a mixture of 48 mL deionized water, 7.2 mL concentrated nitric acid (65 wt.%), and 19.2 mL ethanol under ultrasonic treatment for 0.5 h at room temperature. The transparent solution was stirred at 35 \u00b0C for 12 h to form a milky white solution. Then, 0.6 mL ammonia solution was added dropwise into the above solution while stirring for another 2 h. The solution became dark brown after the addition of ammonia solution due to the formation of N-heterocyclic compounds. After aging at 35 \u00b0C for 12 h, the solution turned black and was transferred into a Teflon-lined stainless steel autoclave. The autoclave was kept at 140 \u00b0C for 24 h. After cooling down to room temperature, the solid product was collected by centrifugation and washed with deionized water several times. The final product was dried at 60 \u00b0C overnight to obtain N-doped mesoporous carbon spheres (NC).\n\nSynthesis of phosphorus source: 10 g of NaH2PO2\u00b7H2O was calcined at 350 \u00b0C for 4 h in a muffle furnace. The obtained yellow powder was further calcined at 600 \u00b0C for 4 h under an Ar atmosphere to yield P-rich black powders, which were denoted as P-source.\n\nSynthesis of mesoporous carbon spheres with P and N co-doping (NCP): 1.0 g of NC and 0.2 g of P-source were mixed and ground uniformly in an agate mortar. The mixture was then calcined at 1000 \u00b0C for 2 h with a ramping rate of 3 \u00b0C min-1 under an Ar atmosphere. The obtained black powder was soaked in 2 M HCl solution for 24 h to remove any metal cations. After washing with deionized water several times, the final product was dried at 60 \u00b0C overnight to obtain mesoporous carbon spheres with P and N co-doping (NCP).\n\nPreparation of atomically dispersed Co-N-C/Co3O4 composite (Co-N-C/Co3O4): 10 mg of NCP and 10 mg of Co(NO3)2\u00b76H2O were placed in two porcelain boats, respectively. The Co(NO3)2\u00b76H2O was thermally activated at 600 \u00b0C for 2 h under an Ar atmosphere. After cooling down to room temperature, the obtained black powder was denoted as Co-N-C. The Co-N-C and NCP were mixed with a mass ratio of 1:1. The mixture was loaded onto two porcelain boats, respectively. One was placed upstream and the other downstream. They were then pyrolyzed at 1000 \u00b0C for 2 h under an Ar atmosphere with a ramping rate of 3 \u00b0C min-1. The obtained black powder was denoted as Co-N-C/Co3O4.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, TA (0.12 g, 0.071 mmol) was dissolved in acetonitrile (40 mL). Then, TEA (4 mL) was added, followed by ultrasonication (160 W, 50 Hz) at 35 \u00b0C for 45 min. Subsequently, HCCP (0.1 g, 0.288 mmol) and BPS (0.1 g, 0.400 mmol) were dissolved in acetonitrile (60 mL), which were dropped into the above solution. The polycondensation reaction was carried out in an ultrasonic bath under the same conditions for another 1.5 h. The precipitates were collected by centrifugation (9000 rpm), washed for three times using ethanol and deionized water (300 mL) respectively, and dried at 50 \u00b0C in vacuum overnight to afford PSTA as a yellowish powder.\nSAC synthesis: In a typical synthesis of PSTA-CoNi, F127 (0.2 g) was dissolved in ethanol (20 mL). Then, PSTA (0.2 g) was added to the solution and dispersed uniformly by ultrasonication (160 W, 50 Hz) for 1 h. Co(OAc)2\u00b74H2O (0.15 g) and Ni(OAc)2\u00b74H2O (0.15 g) were dissolved in ethanol (20 mL), which were added dropwise into the above system, followed by stirring for 24 h. The products were collected by centrifugation (9000 rpm), washed for three times using deionized water and ethanol (150 mL) respectively, and dried at 50 \u00b0C in vacuum overnight. PSTA-CoNi nanospheres were directly used as the catalyst precursor, which were heated to 750 \u00b0C and kept in a quartz tube under constant argon flow for 3 h. The heating rate was 10 \u00b0C min -1. The resulting materials were washed with 3 M HCl solution and deionized water for three times and dried at 70 \u00b0C in vacuum overnight. The dried black powder samples were heated to a certain temperature (800, 900, 1000, 1100, or 1200 \u00b0C) and kept under a flowing argon atmosphere with a heating rate of 10 \u00b0C min -1 for 3 h to obtain PSTA-CoNi-T."
+ },
+ {
+ "id": 123,
+ "sac_id": "Atom: Ni\nSupport Material: N/P-doped mesoporous carbon nanospheres\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: N/P-doped mesoporous carbon nanospheres\n\n",
+ "predicted": "Precursor synthesis: 1.5 g of Pluronic P123 and 0.48 g of dopamine hydrochloride were dispersed in a mixture of 67 mL of deionized water, 10 mL of 3 mol/L NH3 \u00f0(C) 2 O.H solution and 1 mL of ethanol under stirring at 343 K. The mixture was kept at this temperature with stirring until ethanol evaporated. The residual gel phase was dried at 393 K for 48 h. The yellowish dried gels were pyrolyzed at different temperatures (T \u00f0(C) K) from 673 to 873 K for 6 h in air after being calcined at 448 K for 24 h in vacuum. The obtained black solids were treated with 1 mol/L HCl solution for 24 h to remove the template and then washed with plenty of deionized water. The final products, denoted as DP-T (where T \u00bc pyrolysis temperature), were dried at room temperature.\n\nNi 2 \u00fe precursor synthesis: 0.5 g of DP-T was immersed into 50 mL of an aqueous solution containing 0.5 g Na2CO3 and 0.01 g NiCl2 \u00c1 6H2O. The mixture was stirred vigorously at room temperature for 24 h. After that, the solid powder was collected by centrifugation, washed several times with deionized water, and dried at 333 K overnight. The obtained sample was denoted as Ni-DP-T.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, TA (0.12 g, 0.071 mmol) was dissolved in acetonitrile (40 mL). Then, TEA (4 mL) was added, followed by ultrasonication (160 W, 50 Hz) at 35 \u00b0C for 45 min. Subsequently, HCCP (0.1 g, 0.288 mmol) and BPS (0.1 g, 0.400 mmol) were dissolved in acetonitrile (60 mL), which were dropped into the above solution. The polycondensation reaction was carried out in an ultrasonic bath under the same conditions for another 1.5 h. The precipitates were collected by centrifugation (9000 rpm), washed for three times using ethanol and deionized water (300 mL) respectively, and dried at 50 \u00b0C in vacuum overnight to afford PSTA as a yellowish powder.\nSAC synthesis: In a typical synthesis of PSTA-Ni, F127 (0.2 g) was dissolved in ethanol (20 mL). Then, PSTA (0.2 g) was added to the solution and dispersed uniformly by ultrasonication (160 W, 50 Hz) for 1 h. Ni(OAc)2\u00b74H2O (0.3 g) was dissolved in ethanol (20 mL), which was added dropwise into the above system, followed by stirring for 24 h. The products were collected by centrifugation (9000 rpm), washed for three times using deionized water and ethanol (150 mL) respectively, and dried at 50 \u00b0C in vacuum overnight. PSTA-Ni nanospheres were directly used as the catalyst precursor, which were heated to 750 \u00b0C and kept in a quartz tube under constant argon flow for 3 h. The heating rate was 10 \u00b0C min -1. The resulting materials were washed with 3 M HCl solution and deionized water for three times and dried at 70 \u00b0C in vacuum overnight. The dried black powder samples were heated to a certain temperature (800, 900, 1000, 1100, or 1200 \u00b0C) and kept under a flowing argon atmosphere with a heating rate of 10 \u00b0C min -1 for 3 h to obtain PSTA-Ni-T."
+ }
+ ],
+ "10.1002_anie.202003842": [
+ {
+ "id": 124,
+ "sac_id": "Atom: Mo\nSupport Material: Oxygen and Sulfur-doped Graphene (OSG)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Mo\nSupport Material: Oxygen and Sulfur-doped Graphene (OSG)\n\n",
+ "predicted": "Precursor synthesis: Melamine, L-cysteine, and cyanuric acid with a molar ratio of 1:0.5:2 were dissolved in deionized water at 80 \u00b0C to form a supramolecular precursor solution.\nOSG support preparation: 5 g of graphene oxide was dispersed in 500 mL of deionized water and sonicated for 3 h. The suspension was then centrifuged at 10,000 rpm for 10 min, washed with deionized water and ethanol three times, and dried at 60 \u00b0C for 12 h to obtain GO x. 0.7 g of GO x and 0.3 g of KCl were mixed with stirring, placed in a crucible, and heated in a tube furnace at 900 \u00b0C for 4 h under Ar atmosphere (heating rate: 5 \u00b0C min -1 ). The obtained black powder was stirred in 2 M HNO3 for 12 h, rinsed with deionized water and ethanol, and dried at 60 \u00b0C for 12 h to obtain reduced graphene oxide (RGO)-KCl precursor.\nMo catalyst synthesis: 100 mg of RGO-KCl precursor and 20 mg of NaH2MoO4\u00b7H2O were added to the supramolecular precursor solution and stirred for 24 h. After drying at 80 \u00b0C, the resulting black powder was annealed at 900 \u00b0C under Ar atmosphere for 2 h (heating rate: 5 \u00b0C min -1 ). The sample was leached in 2 M H2SO4 at 80 \u00b0C for 6 h to remove impurity metal compounds and unstable Mo species. The leached sample was washed with deionized water and ethanol three times and dried at 60 \u00b0C for 12 h to obtain Mo/OSG.",
+ "ground_truth": "Precursor synthesis: 1.0 g of MgO powder and 2.1 g of polyethylene glycol 2000 were dissolved in 200 mL of deionized water. The mixture was hydrothermally treated at 180 \u00b0C for 48 h. The MgO nanosheets were obtained after filtering, washing, freeze-drying, and calcination at 650 \u00b0C for 5 h. 2.5 g of glucose in deionized water (5 mL) and 1.0 g of benzyl disulfide in ethanol (20 mL) were prepared and mixed. 1.0 g of MgO template and pre-determined quantities of sodium molybdate dihydrate were added under stirring. The amount of sodium molybdate dihydrate was 0, 6.25, 25, and 100 mg for the synthesis of OSG, Mo1/OSG-L, Mo1/OSG-M, and Mo1/OSG-H, respectively. SAC synthesis: The slurry was dried overnight and ground with a mortar. The powder was placed into a horizontal quartz tube and heated to 950 \u00b0C under Ar flow (100 sccm) with a rate of 15 \u00b0C min\u207b\u00b9, and then maintained for 2 h. The reactor was naturally cooled to room temperature in the protection of Ar flow. The resultant product was collected and purified by 1.0 M hydrochloric acid at 80 \u00b0C for 24 h to remove all the templates and nanoparticles. After washing, filtering, and freeze-drying, the samples were obtained for further characterization and measurement."
+ }
+ ],
+ "10.1002_anie.201912719": [
+ {
+ "id": 125,
+ "sac_id": "Atom: Ni\nSupport Material: N-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: N-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: ZIF-8 was prepared according to the reported method with slight modifications. 31 Specifically, Zn(NO3)2\u00b76H2O (0.495 g) and 2-methylimidazole (1.175 g) were dissolved in 50 mL methanol and stirred for 5 min. The mixture was then transferred into a Teflon-lined autoclave, which was subsequently heated at 120 \u00b0C for 4 h. The obtained product was further purified by washing with methanol thrice and dried at 60 \u00b0C overnight.\nNC synthesis: As-synthesized ZIF-8 (100 mg) was placed in a porcelain boat and annealed at 800 \u00b0C for 2 h with a heating rate of 5 \u00b0Cmin-1 under flowing Ar gas (200 sccm). After cooling down to room temperature naturally, the solid residue was ground into a fine powder and used as NC support without any further treatment.\nElectrochemical measurements: A three-electrode system was employed to perform the electrochemical tests. An Ag/AgCl electrode (saturated KCl solution), graphite rod and working electrode (working area: 1 cm \u00d7 1 cm) were served as reference electrode, counter electrode and electrode to load the catalysts, respectively. ICP-AES (PerkinElmer SCIEX Elan DRC II) and XPS (Thermo VG Scientist Electiva) analyses were conducted to determine the metal loading and elemental composition of the catalysts. SEM (Hitachi SU8000) and TEM (JEOL JEM-2100F) micrographs were acquired to investigate the morphology of the catalysts. Raman spectroscopy (Horiba Jobin Yvon LabRAM HR Evolution) was performed to analyze the crystal structure of the C supports. HER and HOR activities of the catalysts were evaluated by linear sweep voltammetry (LSV) and rotating ring disk electrode (RRDE) techniques, respectively.",
+ "ground_truth": "Precursor synthesis: Co- and Ni-containing aqueous solution (3 mL, 0.1 mg mL -1 ) was dropwise added into aqueous sodium borohydride solution (NaBH4, 6 mL, 0.5 mg mL -1 ) under an ice bath and stirred for 30 min to form the suspension. Then, this suspension was dropwise added into NC-containing aqueous solution (10 mL, 0.5 mg mL -1 ) under stirring. The final mixture solution was vacuum-filtered and washed with deionized water to collect the powder sample.\nSAC synthesis: The same as the precursor synthesis."
+ },
+ {
+ "id": 126,
+ "sac_id": "Atom: Co\nSupport Material: N-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: N-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: Zn(NO3)2\u00b76H2O (1 mmol) and Co(acac)2 (0.4 mmol) were dissolved in a mixture of methanol (7.5 mL) and ethylenediamine (2.5 mL). 2-Methylimidazole (8 mmol) was dispersed in the mixture to form a clear solution under ultrasonication for 15 min. The solution was subjected to natural crystallization at room temperature for 24 h. The products were collected by centrifugation, washed with methanol, and dried at 60 \u00b0C for 12 h.\nS synthesis: A certain amount of elemental S powder was mixed with ZnCo@ZIF-8 (0.2 g) and annealed in a tube furnace at 900 \u00b0C for 2 h under a flow rate of 100 sccm Ar.\nM synthesis: A certain amount of elemental M powder (M = Cu, Ni, Fe, or Cr) was mixed with ZnCo@ZIF-8 (0.2 g) and annealed in a tube furnace at 900 \u00b0C for 2 h under a flow rate of 100 sccm Ar.",
+ "ground_truth": "Precursor synthesis: Co- and Ni-containing aqueous solution (3 mL, 0.1 mg mL -1 ) was dropwise added into aqueous sodium borohydride solution (NaBH4, 6 mL, 0.5 mg mL -1 ) under an ice bath and stirred for 30 min to form the suspension. Then, this suspension was dropwise added into NC-containing aqueous solution (10 mL, 0.5 mg mL -1 ) under stirring. The final mixture solution was vacuum-filtered and washed with deionized water to collect the powder sample.\nSAC synthesis: The same as the precursor synthesis."
+ },
+ {
+ "id": 127,
+ "sac_id": "Atom: Co\nSupport Material: N-doped carbon (NC)\nSynthesis Method: Solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: N-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: Zn(NO3)2\u00b76H2O (1 mmol) and Co(acac)2 (0.4 mmol) were dissolved in a mixture of methanol (7.5 mL) and ethylenediamine (2.5 mL). 2-Methylimidazole (8 mmol) was dispersed in the mixture to form a clear solution under ultrasonication for 15 min. The solution was subjected to natural crystallization at room temperature for 24 h. The products were collected by centrifugation, washed with methanol, and dried at 60 \u00b0C for 12 h.\nS synthesis: A certain amount of elemental S powder was mixed with ZnCo@ZIF-8 (0.2 g) and annealed in a tube furnace at 900 \u00b0C for 2 h under a flow rate of 100 sccm Ar.\nM synthesis: A certain amount of elemental M powder (M = Cu, Ni, Fe, or Cr) was mixed with ZnCo@ZIF-8 (0.2 g) and annealed in a tube furnace at 900 \u00b0C for 2 h under a flow rate of 100 sccm Ar.",
+ "ground_truth": "Precursor synthesis: Co- and Ni-containing aqueous solution (3 mL, 0.1 mg mL -1 ) was dropwise added into aqueous sodium borohydride solution (NaBH4, 6 mL, 0.5 mg mL -1 ) under an ice bath and stirred for 30 min to form the suspension. Then, this suspension was dropwise added into NC-containing aqueous solution (10 mL, 0.5 mg mL -1 ) under stirring. The final mixture solution was vacuum-filtered and washed with deionized water to collect the powder sample.\nSAC synthesis: The same as the precursor synthesis."
+ },
+ {
+ "id": 128,
+ "sac_id": "Atom: CoNi\nSupport Material: N-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: CoNi\nSupport Material: N-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: Zn(NO3)2\u00b76H2O (1.069 g) was dissolved in N, N-Dimethylformamide (DMF) and methanol solution (10 mL, 1:1). A certain amount of cobalt acetylacetonate (Co(acac)3) or nickel (II) acetylacetonate (Ni(acac)2) were dissolved in DMF (5 mL). The Co(acac)3 or Ni(acac)2 solution was then added into the Zn(NO3)2\u00b76H2O solution with stirring for 10 min at room temperature. The mixture was kept undisturbed and transferred into a Teflon-lined stainless steel autoclave and heated at 120 \u00b0C for 4 h. After cooling to room temperature, the collected products were washed with ethanol several times and dried in an oven at 60 \u00b0C overnight.\nSynthesis of ZnCo/Ni-MOFs to ZIF-8 transition: ZnCo/Ni-MOFs were heated at 900 \u00b0C under nitrogen flow with a heating rate of 5 \u00b0C min-1 for 3 h.\nPrecursor preparation: Co/Ni-ZIF-8 was prepared by using Co/Zn-MOFs as precursors. In detail, Co/Zn-MOFs (200 mg) were dispersed in ethanol (40 mL), followed by addition of DI water (20 mL) and 2 mol L-1 NaOH (25 mL). The suspension was ultrasonicated for 1 h before stirred at room temperature for another 1 h. The solid was separated via centrifugation and further purified by ethanol several times. Finally, the Co/Ni-ZIF-8 was obtained after being dried in an oven at 60 \u00b0C overnight.\nN-Doping: Co/Ni-ZIF-8 powder (100 mg) was mixed with dicyandiamide (2.4 g) by grinding. The mixture was loaded into a boat and placed in the center of a heating zone in a quartz tube. The sample was heated at 700 \u00b0C under nitrogen flow with a heating rate of 2 \u00b0C min-1 for 2 h. After cooling to room temperature, the final product NC-X (X = 2.5, 5, 7.5, 10, where X represents the N content in %) was collected.",
+ "ground_truth": "Precursor synthesis: Glucose (0.25 g) and dicyandiamide (DICY, 5 g) were first dissolved in deionized water (200 mL, >18.2 M\u03a9), followed by a dropwise addition of an aqueous solution containing cobalt (II) chloride hexahydrate (CoCl2\u00b76H2O, 1 mL, 0.0125 M) and nickel (II) chloride hexahydrate (NiCl2\u00b76H2O, 1 mL, 0.0125 M). The mixture was stirred and heated at 80 \u00b0C to evaporate water, and the final products were ground into powder. The precursor was placed in a crucible with a cover and annealed at 900 \u00b0C with a rate of 3 \u00b0C min -1 for 2 hr in Ar atmosphere.\nSAC synthesis: The same as the precursor synthesis."
+ },
+ {
+ "id": 129,
+ "sac_id": "Atom: Ni\nSupport Material: N-doped carbon (NC)\nSynthesis Method: Solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: N-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: ZIF-8 was prepared according to the reported method with slight modifications. 31 Specifically, Zn(NO3)2\u00b76H2O (0.497 g) and 2-methylimidazole (1.156 g) were dissolved in 50 mL methanol and stirred for 1 h at room temperature. The solution was then transferred into a Teflon-lined autoclave (50 mL), sealed and heated at 120 \u00b0C for 4 h. The products were collected by centrifugation and washed with methanol three times, followed by drying under vacuum at 80 \u00b0C overnight.\n\nSynthesis of Ni-ZIF-8/NC: In a typical procedure, 0.25 g ZIF-8 and 0.25 g NC were dispersed in 50 mL deionized water in turn. After ultrasonication for 30 min, the suspensions containing NC and ZIF-8/NC were centrifuged at 12000 rpm for 10 min, and the obtained powders were dried under vacuum at 80 \u00b0C overnight. Then, the powder of NC or NC/ZIF-8 was mixed with 0.05 g Ni(NO3)2\u00b76H2O through grinding. The mixture was placed in a tube furnace and heated to 800 \u00b0C with a heating rate of 5 \u00b0C min -1 under flowing Ar gas for 2 h. Finally, the powder was collected and denoted as Ni-ZIF-8/NC.",
+ "ground_truth": "Precursor synthesis: Co- and Ni-containing aqueous solution (3 mL, 0.1 mg mL -1 ) was dropwise added into aqueous sodium borohydride solution (NaBH4, 6 mL, 0.5 mg mL -1 ) under an ice bath and stirred for 30 min to form the suspension. Then, this suspension was dropwise added into NC-containing aqueous solution (10 mL, 0.5 mg mL -1 ) under stirring. The final mixture solution was vacuum-filtered and washed with deionized water to collect the powder sample.\nSAC synthesis: The same as the precursor synthesis."
+ }
+ ],
+ "10.1002_adma.201706287": [
+ {
+ "id": 130,
+ "sac_id": "Atom: NiPt\nSupport Material: Nitrogen-doped carbon nanotubes (N-CNTs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: NiPt\nSupport Material: Nitrogen-doped carbon nanotubes (N-CNTs)\n\n",
+ "predicted": "Precursor synthesis: The NiPt alloy was prepared by the conventional solvothermal method. In a typical procedure, 0.5 mmol of Ni(NO3)2\u00b76H2O and 0.4 mmol of PtCl4 were dissolved in 10 mL of ethylene glycol. Then, 1.9 mmol of trisodium citrate was added into the above solution with stirring to obtain a homogeneous mixture solution. The mixture solution was transferred into a 25 mL Teflon-lined autoclave and heated at 180 \u00b0C for 12 h. After cooling naturally, the obtained precipitate was collected by centrifugation, washed several times with deionized water and ethanol, and dried in vacuum at 70 \u00b0C overnight.\n\nSynthesis of NiPt@N-CNTs/NiPt: The NiPt@N-CNTs/NiPt composite was prepared by a facile pyrolysis process. Typically, 0.05 g of NiPt and 0.15 g of CNTs were mixed with sulfur powder (0.1 g) using the grinding method. The mixture was annealed at 800 \u00b0C for 2 h under N2 atmosphere. The as-prepared products were etched in 1 M H2SO4 solution for 12 h to remove metal oxides.",
+ "ground_truth": "Precursor synthesis: Nickel(II) acetylacetonate (Ni(acac)2, Sigma Aldrich), Platinum(II) acetylacetonate (Pt(acac)2, Sigma Aldrich), Dicyandiamide (C2H8N2, Sigma Aldrich)\nSAC synthesis: Ni(acac)2 and Pt(acac)2 were dispersed with C2H8N2 in 100 mL solution and stirred for 10 h, followed by drying and grinding. Subsequently, the mixture was heated at 350 \u00b0C for 3 h and then at 650 \u00b0C for 3 h under Ar with a flow rate of 50 mL min-1. Subsequently, the as-prepared yellow powder was heated in a selected temperature range of 700-900 \u00b0C. The obtained sample was denoted as NiPtSA-N-CNTs."
+ },
+ {
+ "id": 131,
+ "sac_id": "Atom: Co\nSupport Material: Nitrogen-doped carbon nanotubes (N-CNTs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Nitrogen-doped carbon nanotubes (N-CNTs)\n\n",
+ "predicted": "Precursor synthesis: ZIF-67 was prepared according to the previously reported method. [1] In a typical synthesis, 2-methylimidazole (1.98 g) was dissolved in a mixed solution of 20 mL methanol and 20 mL ethanol. Co(NO3)2\u00b76H2O (1.746 g) was dissolved in another mixed solution of 20 mL methanol and 20 mL ethanol. The above two solutions were then mixed under continuous stirring for 10 s, and the resultant solution was kept for 20 h at room temperature. The purple precipitate was collected by centrifugation, washed in ethanol several times, and dried at 70 \u00b0C in air for 12 h. The obtained ZIF-67 was used as the precursor to grow CNTs.\n\nGrowth of CNTs: A piece of ZIF-67 (0.5 g) was heated at 1000 \u00b0C for 1 h with a ramping rate of 5 \u00b0C min -1 under flowing Ar gas (200 sccm). After cooling down to room temperature, the resulting product was washed in 2 M HCl for 24 h to remove metallic Co residues, followed by washing in deionized water and ethanol several times. The finally obtained product is referred to as nitrogen-doped CNTs (N-CNTs).\n\nDoping of N-heterocyclic compounds into N-CNTs: To obtain ZIF-67@N-CNTs, a freeze-drying process was employed. Typically, ZIF-67 (0.5 g) grown on N-CNTs (0.5 g) was freeze-dried for 24 h. The obtained ZIF-67@N-CNTs (0.5 g) was thermally treated at 1000 \u00b0C for 1 h with a ramping rate of 5 \u00b0C min -1 under Ar gas (200 sccm) pressure of 0.25 MPa. The obtained samples are referred to as ZIF-67@N-CNTs.\n\nSynthesis of Co-N-CNTs: A piece of ZIF-67@N-CNTs (0.5 g) was thermally treated at 1000 \u00b0C for 1 h with a ramping rate of 5 \u00b0C min -1 under Ar gas (200 sccm) pressure of 0.25 MPa. The obtained sample is referred to as Co-N-CNTs.",
+ "ground_truth": "Precursor synthesis: Cobalt(II) acetylacetonate (Co(acac)2, Sigma Aldrich), Dicyandiamide (C2H8N2, Sigma Aldrich)\nSAC synthesis: Co(acac)2 was dispersed with C2H8N2 in 100 mL solution and stirred for 10 h, followed by drying and grinding. Subsequently, the mixture was heated at 350 \u00b0C for 3 h and then at 650 \u00b0C for 3 h under Ar with a flow rate of 50 mL min-1. Subsequently, the as-prepared yellow powder was heated in a selected temperature range of 700-900 \u00b0C. The obtained sample was denoted as CoSA-N-CNTs."
+ },
+ {
+ "id": 132,
+ "sac_id": "Atom: CoFe\nSupport Material: Nitrogen-doped carbon nanotubes (N-CNTs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: CoFe\nSupport Material: Nitrogen-doped carbon nanotubes (N-CNTs)\n\n",
+ "predicted": "Precursor synthesis: The CoFe-ZIF was prepared using the same method as described above.\n\nSacrificial template formation: A certain amount of polyvinylpyrrolidone (PVP, 20 nm, Mw = 10 000) was dissolved in 4 mL of ethanol and mixed with the prepared CoFe-ZIF precursor by ultrasonication to form a suspension solution.\n\nPolymerization: The obtained mixture was then transferred into an autoclave and heated at 180 \u00b0C for 6 h under autogenous pressure. After cooling down naturally, the products were collected by centrifugation.\n\nDrying: The products were dried overnight at 80 \u00b0C.\n\nCarbonization: The dried samples were calcinated under N2 flow at 900 \u00b0C for 3 h with a heating rate of 5 \u00b0C min-1.\n\nAcid washing: The calcinated sample was washed with 1 M HCl solution for 12 h at room temperature to remove metallic species.\n\nSecond carbonization: The washed sample was calcinated again under N2 flow at 900 \u00b0C for 3 h with a heating rate of 5 \u00b0C min-1.\n\nNitrogen doping: The obtained sample was treated with ammonia gas at 900 \u00b0C for 3 h with a heating rate of 5 \u00b0C min-1.",
+ "ground_truth": "Precursor synthesis: Cobalt(II) acetylacetonate (Co(acac)2, Sigma Aldrich), Iron(II) acetylacetonate (Fe(acac)2, Sigma Aldrich), Dicyandiamide (C2H8N2, Sigma Aldrich)\nSAC synthesis: Co(acac)2 and Fe(acac)2 were dispersed with C2H8N2 in 100 mL solution and stirred for 10 h, followed by drying and grinding. Subsequently, the mixture was heated at 350 \u00b0C for 3 h and then at 650 \u00b0C for 3 h under Ar with a flow rate of 50 mL min-1. Subsequently, the as-prepared yellow powder was heated in a selected temperature range of 700-900 \u00b0C. The obtained sample was denoted as CoFeSA-N-CNTs."
+ },
+ {
+ "id": 133,
+ "sac_id": "Atom: NiCo\nSupport Material: Nitrogen-doped carbon nanotubes (N-CNTs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: NiCo\nSupport Material: Nitrogen-doped carbon nanotubes (N-CNTs)\n\n",
+ "predicted": "Precursor synthesis: The NiCo-PDA precursor was prepared by dissolving 1.0 mmol of Ni(NO3)2\u00b76H2O, 1.0 mmol of Co(NO3)2\u00b76H2O, and 5.0 mmol of p-phenylenediamine in a mixed solution containing 4.0 mL of ethanol, 4.0 mL of methanol, and 2.0 mL of water. Then, the mixture was stirred at room temperature for 12 h to obtain a brownish-red solution. Next, the NiCo-PDA precursor was collected by centrifugation, washed with deionized water, and dried at 60 \u00b0C for 12 h.\n\nNiCo/NCNTs synthesis: A mixture of 100 mg of NiCo-PDA, 200 mg of glass microspheres (20-30 nm in diameter), and 4.0 mL of a water/ethanol solution (v/v, 1:1) was ultrasonicated for 30 min at room temperature. The resulting dispersion was added dropwise to 24 mL of a NaBH4 aqueous solution (100 mg/8 mL) under stirring and maintained at room temperature for 12 h. The product was collected by centrifugation, washed with deionized water, and dried at 60 \u00b0C for 12 h. Finally, the NiCo/NCNTs sample was obtained by annealing the dried sample under an Ar flow at 900 \u00b0C for 2 h.",
+ "ground_truth": "Precursor synthesis: Nickel(II) acetylacetonate (Ni(acac)2, Sigma Aldrich), Cobalt(II) acetylacetonate (Co(acac)2, Sigma Aldrich), Dicyandiamide (C2H8N2, Sigma Aldrich)\nSAC synthesis: Ni(acac)2 and Co(acac)2 were dispersed with C2H8N2 in 100 mL solution and stirred for 10 h, followed by drying and grinding. Subsequently, the mixture was heated at 350 \u00b0C for 3 h and then at 650 \u00b0C for 3 h under Ar with a flow rate of 50 mL min-1. Subsequently, the as-prepared yellow powder was heated in a selected temperature range of 700-900 \u00b0C. The obtained sample was denoted as NiCoSA-N-CNTs."
+ },
+ {
+ "id": 134,
+ "sac_id": "Atom: Ni\nSupport Material: Nitrogen-doped carbon nanotubes (N-CNTs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Nitrogen-doped carbon nanotubes (N-CNTs)\n\n",
+ "predicted": "Precursor synthesis: The nitrogen source was added to the mixture of melamine (5 g), cyanuric acid (5 g), and L-cysteine (5 g). All the other steps were the same as those for the synthesis of sample A.\nDoping with transition metals: Ni (10 mmol), Fe (20 mmol), Co (5 mmol), Mn (5 mmol), Zn (20 mmol), Cu (10 mmol), and P (5 mmol) were added in the Schlenk tube containing DMF (300 mL) under stirring. 500 mL of the TDA solution (20 mg\u00b7mL -1 ) was added into the above solution by a peristaltic pump at room temperature. The mixture was stirred for 48 h, and then the product was collected by centrifugation and washed three times with DMF. The product was dried in a vacuum oven at 60 \u00b0C overnight. 1 g of the obtained powder was mixed with 10 mL of ethanol and 10 mL of water. 0.76 g of sodium acetate was dissolved in the mixture under stirring at 90 \u00b0C for 10 min. Then, 0.24 g of ferric nitrate nonahydrate, 0.24 g of cobalt chloride hexahydrate, 0.24 g of manganese chloride tetrahydrate, 0.56 g of zinc nitrate hexahydrate, 0.28 g of copper nitrate trihydrate, and 0.16 g of phosphorus(III) oxide were added to the above solution. After stirring for another 2 h, the product was collected by centrifugation and washed three times with water. Finally, the product was dried in a vacuum oven at 60 \u00b0C overnight.\n\nThe synthesis procedure for NiFeCoMnZnCuP/N-CNTs is similar to that of NiFeCoMnZnCuP/N-CTNs, with the only difference being the use of nitrogen-doped carbon nanotubes (N-CNTs) instead of CNTs.",
+ "ground_truth": "Precursor synthesis: Nickel(II) acetylacetonate (Ni(acac)2, Sigma Aldrich), Dicyandiamide (C2H8N2, Sigma Aldrich)\nSAC synthesis: Ni(acac)2 was dispersed with C2H8N2 in 100 mL solution and stirred for 10 h, followed by drying and grinding. Subsequently, the mixture was heated at 350 \u00b0C for 3 h and then at 650 \u00b0C for 3 h under Ar with a flow rate of 50 mL min-1. Subsequently, the as-prepared yellow powder was heated in a selected temperature range of 700-900 \u00b0C. The obtained sample was denoted as NiSA-N-CNTs."
+ }
+ ],
+ "10.1002_anie.201906079": [
+ {
+ "id": 135,
+ "sac_id": "Atom: Fe\nSupport Material: Graphene\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Graphene\n\n",
+ "predicted": "Precursor synthesis: Iron pentacarbonyl (Fe(CO)5) was used as the metal precursor.\nSupport material preparation: Graphene support was prepared by calcination of exfoliated graphite flakes (TimTec, Inc.) at 1073 K for 24 h in a tube furnace under an argon flow (99.999%, Air Products and Chemicals).\nCatalytic activity test: The catalytic activities of the catalysts were evaluated in a fixed-bed continuous flow reactor using a stainless steel tubular reactor with an outer diameter of 10 mm and an inner diameter of 8 mm. The catalysts were loaded into the reactor and reduced in H2 (99.999%, Air Products and Chemicals) at 673 K for 1 h before reaction. The catalysts were then heated to the desired temperature and kept there for 1 h before the actual reaction started. The feedstock was compressed to a pressure of 34 bar (g)1/2 and mixed with argon (99.999%, Air Products and Chemicals) to a total pressure of 37 bar (g)1/2. The resulting mixture was fed continuously to the reactor by a syringe pump (NE-1000, New Era Engineering), and the effluent from the reactor was analyzed online by gas chromatography (Agilent 7890A) fitted with a FID and a 60 m \u00d7 0.32 mm \u00d7 3 \u03bcm capillary column coated with 5% diphenyl, 95% dimethyl polysiloxane (DB-WAX, J&W Scientific). The oven temperature was programmed from 373 to 473 K at 5 K min\u22121, and the FID was maintained at 473 K. The conversion of n-pentane was calculated based on the feedstock composition measured by gas chromatography.",
+ "ground_truth": "Precursor synthesis: 0.33 g of hemin was gradually heated up to 800 \u00b0C (180 \u00b0C for 2h, 360\u00b0C for 2h, 800 \u00b0C for 2h) at a heating rate of 2.0 \u00b0C/min with the flow of argon.\nSAC synthesis: Subsequently, the sample pyrolyzed was then treated by 0.5 M of H2SO4 acid for 24 h at 80 \u00b0C, followed by centrifuging and washing at least three times with distilled water. Finally, the catalyst was dried at 100 \u00b0C before test."
+ },
+ {
+ "id": 136,
+ "sac_id": "Atom: None\nSupport Material: Graphene\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: None\nSupport Material: Graphene\n\n",
+ "predicted": "Precursor synthesis: The aqueous suspension of graphene sheets (0.1 mg mL^-1) was prepared by exfoliating natural graphite flakes in N,N-dimethylformamide (DMF, 20 mmol L^-1) using high shear mixer (IKA T25, Wilmington, NC, USA) for 3 h. The as-prepared graphene suspension was centrifuged and the supernatant was collected. [14]\n\nSynthesis: In a typical procedure, 60 \u00b5L of H2PtCl6\u00b76H2O solution (10 mmol mL^-1) was added into 4 mL of aqueous graphene suspension (0.1 mg mL^-1). Then, 800 \u03bcL of NaBH4 solution (10 mmol mL^-1) was quickly injected into the above mixture under vigorous stirring. After reaction for 10 min, the as-obtained product was washed with water and ethanol several times to remove impurities, and dried at room temperature in vacuum overnight. To investigate the effect of concentration of H2PtCl6\u00b76H2O on the Pt loading amount, different amounts of H2PtCl6\u00b76H2O (20, 40, 60, and 80 \u00b5L) were used as precursor. The as-obtained products are denoted as Pt/G-x% (x = 2, 4, 6, and 8), where x represents the mass percentage of Pt in the final product.",
+ "ground_truth": "Precursor synthesis: 25 mg of graphene, 5.0 g of melamine, and 300 ml of methanol were mixed and stirred at room temperature for 12 h. Methanol was removed via rotary evaporation.\nSAC synthesis: The resulting homogeneous mixture was gradually heated up to 800 \u00b0C (180 \u00b0C for 2h, 360\u00b0C for 2h, 800 \u00b0C for 2h) at a heating rate of 2.0 \u00b0C/min with the flow of argon. Subsequently, the sample pyrolyzed was then treated by 0.5 M of H2SO4 acid for 24 h at 80 \u00b0C, followed by centrifuging and washing at least three times with distilled water. Finally, the catalyst was dried at 100 \u00b0C before test."
+ },
+ {
+ "id": 137,
+ "sac_id": "Atom: Fe\nSupport Material: None\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: None\n\n",
+ "predicted": "In the gas phase, Fe atoms can exist in various oxidation states, with Fe(III) being the most stable. Upon coordination to a ligand, such as CO or NO, Fe can form complexes with different oxidation states and geometries.",
+ "ground_truth": "Precursor synthesis: 0.33 g of hemin was gradually heated up to 800 \u00b0C (180 \u00b0C for 2h, 360\u00b0C for 2h, 800 \u00b0C for 2h) at a heating rate of 2.0 \u00b0C/min with the flow of argon.\nSAC synthesis: Subsequently, the sample pyrolyzed was then treated by 0.5 M of H2SO4 acid for 24 h at 80 \u00b0C, followed by centrifuging and washing at least three times with distilled water. Finally, the catalyst was dried at 100 \u00b0C before test."
+ },
+ {
+ "id": 138,
+ "sac_id": "Atom: Fe\nSupport Material: None\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: None\n\n",
+ "predicted": "In the gas phase, Fe atoms can exist in various oxidation states, with Fe(III) being the most stable. Upon coordination to a ligand, such as CO or NO, Fe can form complexes with different oxidation states and geometries.",
+ "ground_truth": "Precursor synthesis: 0.33 g of hemin was gradually heated up to 800 \u00b0C (180 \u00b0C for 2h, 360\u00b0C for 2h, 800 \u00b0C for 2h) at a heating rate of 2.0 \u00b0C/min with the flow of argon.\nSAC synthesis: Subsequently, the sample pyrolyzed was then treated by 0.5 M of H2SO4 acid for 24 h at 80 \u00b0C, followed by centrifuging and washing at least three times with distilled water. Finally, the catalyst was dried at 100 \u00b0C before test."
+ }
+ ],
+ "10.1002_celc.202000926": [
+ {
+ "id": 139,
+ "sac_id": "Atom: Pt\nSupport Material: C@C3N4\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: C@C3N4\n\n",
+ "predicted": "Precursor synthesis: C3N4 was prepared by heating dicyandiamide (10 g) at room temperature to 550 \u00b0C at a heating rate of 3 \u00b0C min-1 in a tube furnace with a continuous N2 flow (100 mL min-1). The calcination was continued at 550 \u00b0C for another 3 h. The system was naturally cooled down to room temperature in a N2 atmosphere.\n\nSynthesis of Pt nanoparticles loaded on C@C3N4 (Pt/C@C3N4): Typically, 100 mg of C3N4 was dispersed in 50 mL of deionized water under ultrasonication for 30 min. Then, the suspension was stirred for 30 min and adjusted to pH = 9.5 by adding 0.87 M NaOH solution. A certain amount of H2PtCl6\u00b76H2O solution (the mass ratio of H2PtCl6 to C3N4 is 0.05) was added dropwise into the C3N4 suspension under ultrasound. After stirring for 2 h, the precipitate was filtered and washed with deionized water until the filtrate became neutral. Finally, the product was dried at 60 \u00b0C overnight to obtain Pt/C@C3N4.",
+ "ground_truth": "Precursor synthesis: Dicyandiamide (DCD, Sigma-Aldrich, 99%) 1.2 g was dissolved in 50 mL of methanol (MERCK). 0.9 g of carbon black (Ketjenblack EC-600JD) was added to this solution. The mixture was bath-sonicated for 10 min and heated in an oil bath overnight with stirring at 80 \u00b0C. The resulting powder was heat-treated at 550 \u00b0C for 4 h under Ar atmosphere to obtain C@C3N4 support.\nSAC synthesis: Pt with the content of 1 wt%, 2 wt%, 4 wt%, and 8 wt% was deposited on C@C3N4 support by wetness impregnation method. 200 mg of C@C3N4 was dispersed in 5 mL of anhydrous ethanol (MERCK) and bath-sonicated for 10 min. Pt precursor solution was prepared by dissolving an appropriate amount of chloroplatinic acid hexahydrate (H2PtCl6\u00b76H2O, SigmaAldrich) in 1 mL of anhydrous ethanol. The Pt precursor solution was added to the C@C3N4 solution and stirred until the solution was completely dried at 60 \u00b0C. The resulting powder was further dried in a vacuum oven at 50 \u00b0C overnight. Then, the obtained black powder was grinded softly and treated at 200 \u00b0C under N2 atmosphere."
+ }
+ ],
+ "10.1002_adma.201906905": [
+ {
+ "id": 140,
+ "sac_id": "Atom: Fe\nSupport Material: Honeycomb-like nitrogen-doped carbon matrix (HNC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Honeycomb-like nitrogen-doped carbon matrix (HNC)\n\n",
+ "predicted": "Precursor synthesis: 0.5 g of 2-methylimidazole was dissolved in 10 mL of methanol, which was then poured into 10 mL of methanol containing 0.875 g of Zn(NO3)2\u00b76H2O with vigorous stirring. The mixture was transferred into a 25 mL Teflon-lined autoclave and heated at 120 \u00b0C for 4 h. The obtained white product was collected by centrifugation and washed with ethanol three times and finally dried at 60 \u00b0C under vacuum overnight.\n\nSynthesis of ZIF-8@ZIF-67: 0.5 g of as-prepared ZIF-8 was re-dispersed in 10 mL of methanol with sonication for 5 min, followed by the addition of 1.75 g of methanolic solution containing 0.0935 g of Co(NO3)2\u00b76H2O with vigorous stirring for 1 h. Then, 0.75 g of 2-methylimidazole in 10 mL of methanol was added into the above mixture with continuous stirring for another 4 h. The resultant suspension was centrifuged and washed with ethanol three times, and dried at 60 \u00b0C under vacuum overnight to obtain ZIF-8@ZIF-67.\n\nAnnealing to form Co/Fe-N-C: The ZIF-8@ZIF-67 powder was heated at 950 \u00b0C for 3 h with a heating rate of 5 \u00b0C min^-1 under N2 flow. After natural cooling to room temperature, the product was etched with 2 M HCl at 80 \u00b0C for 24 h to remove the Zn metal template. Finally, the Co/Fe-N-C was collected by centrifugation, washed with deionized water several times until neutral pH, and dried at 60 \u00b0C under vacuum overnight.",
+ "ground_truth": "Precursor synthesis: None explicitly given in the text.\nSAC synthesis: In a typical procedure for the synthesis of Fe1-HNC-T1-T2, 4.3875 g NaCl, 0.416 g glucose and 10 mg mL -1 FeCl3\u00b76H2O (830 \u03bcL) were dissolved in 25 mL DI and stirred for 1 hour to ensure the homogeneous state of the solution. The obtained mixture was freeze-dried for 48 hours and then ground by agate mortar to form fine powder. The powder was put in the middle of the tube furnace and flushed with argon gas (Ar) for at least 30 min to eliminate air thoroughly. The tube furnace was heated at 500 \u00b0C with the ramp rate of 5 \u00b0C/min and kept for 4 hours under the ammonia gas (NH3) atmosphere (the flow rate of NH3 was 50 sccm). Dissolve the calcination powder in 2000 mL water and stir overnight to remove NaCl template completely. The resulting black precipitate was filtered and washed with 2000 mL DI and then dried at 80 \u00b0C overnight to obtain Fe1-HNC-500. Calcining Fe-HNC-500 under 850 \u00b0C by controlling the heating rate 5 \u00b0C/min for 4 hours under the protection of Ar to generate Fe1-HNC-500-850."
+ },
+ {
+ "id": 141,
+ "sac_id": "Atom: Ni\nSupport Material: Honeycomb-like nitrogen-doped carbon matrix (HNC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Honeycomb-like nitrogen-doped carbon matrix (HNC)\n\n",
+ "predicted": "Precursor synthesis: 0.5 g of SiO2 powder with an average particle size of around 10 nm was dispersed into 40 mL of deionized water under sonication for about 30 min. Then, 10 mL of 0.6 mol L-1 aqueous solution of nickel(II) nitrate hexahydrate (Ni(NO3)2\u00b76H2O) was added to the above SiO2 suspension and stirred for another 2 h. After that, the mixture was evaporated in an oil bath at 90 \u00b0C until dry. Subsequently, the obtained powder was transferred into a ceramic boat and placed in a tube furnace. The sample was heated from room temperature to 700 \u00b0C for 1 h at a ramp rate of 2 \u00b0C min-1 under flowing Ar gas, then held at this temperature for 1 h. Finally, the furnace was cooled down to room temperature naturally. The collected product was treated by immersion in 1 M NaOH aqueous solution at 80 \u00b0C for 24 h, followed by washing with water and ethanol several times. The resulting material was denoted as Ni/SiO2.\n\nSynthesis of Ni/HNC: A certain amount of Ni/SiO2 was mixed with mesitylene (the volume ratio of Ni/SiO2 to mesitylene is 1:10), heated from room temperature to 1050 \u00b0C for 4 h at a ramp rate of 5 \u00b0C min-1 under an Ar flow (50 mL min-1). After cooling down to room temperature, the resulting material was immersed in 1 M NaOH aqueous solution at 80 \u00b0C for 24 h to remove the SiO2 template. The final product was named Ni/HNC.",
+ "ground_truth": "Precursor synthesis: None explicitly given in the text.\nSAC synthesis: The synthesis procedure for Ni1-HNC-T1-T2 is similar to that of Fe1-HNC-T1-T2, with NiCl2\u00b76H2O (10 mg mL -1, 830 \u03bcL) used instead of FeCl3\u00b76H2O."
+ },
+ {
+ "id": 142,
+ "sac_id": "Atom: Co\nSupport Material: Honeycomb-like nitrogen-doped carbon matrix (HNC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Honeycomb-like nitrogen-doped carbon matrix (HNC)\n\n",
+ "predicted": "Precursor synthesis: 0.5 g of 2-methylimidazole was dissolved in 10 mL of methanol, which was then poured into 10 mL of methanol containing 0.875 g of Zn(NO3)2\u00b76H2O with vigorous stirring. The mixture was transferred into a 25 mL Teflon-lined autoclave and heated at 120 \u00b0C for 4 h. The obtained white product was collected by centrifugation and washed with ethanol three times and finally dried at 60 \u00b0C under vacuum overnight.\n\nSynthesis of ZIF-8@ZIF-67: 0.25 g of as-prepared ZIF-8 was dispersed in 10 mL of methanol solution containing 0.39 g of dopamine hydrochloride under vigorous stirring. After 12 h, the precipitate was collected via centrifugation and washed with methanol twice before being dried at 60 \u00b0C under vacuum overnight. Then, 0.15 g of ZIF-8@dopamine was added to 10 mL of methanol solution containing 0.39 g of Zn(NO3)2\u00b76H2O with vigorous stirring. The mixture was transferred into a 25 mL Teflon-lined autoclave and heated at 120 \u00b0C for 4 h. The obtained white product was collected by centrifugation and washed with ethanol three times before being dried at 60 \u00b0C under vacuum overnight. Finally, the as-prepared ZIF-8@dopamine was used as precursor to prepare ZIF-8@ZIF-67.\n\nPreparation of HNC@CoPc: A certain amount of ZIF-8@ZIF-67 precursor was dispersed in 10 mL of methanol containing 0.015 g of CoPc. The mixture was sonicated for 10 min and stirred for another 12 h. The product was collected by centrifugation and washed with methanol twice before being dried at 60 \u00b0C under vacuum overnight. Finally, the as-prepared ZIF-8@ZIF-67@CoPc was heated at 1000 \u00b0C for 2 h with a heating rate of 5 \u00b0C min^-1 under flowing Ar atmosphere.",
+ "ground_truth": "Precursor synthesis: None explicitly given in the text.\nSAC synthesis: The synthesis procedure for Co1-HNC-T1-T2 is similar to that of Fe1-HNC-T1-T2, with CoCl2\u00b76H2O (10 mg mL -1, 830 \u03bcL) used instead of FeCl3\u00b76H2O."
+ }
+ ],
+ "10.1002_anie.201803262": [
+ {
+ "id": 143,
+ "sac_id": "Atom: Fe\nSupport Material: N-doped porous carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: N-doped porous carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanobenzene and urea were used as precursors. The mixture was heated to 800 \u00b0C under an argon atmosphere with a heating rate of 5 \u00b0C/min. After cooling down to room temperature naturally, the obtained black powder was washed with 2 M HCl solution followed by deionized water until pH neutral and dried at 60 \u00b0C for 12 h.\n\nSynthesis of C@C: The synthesis procedure is similar to the one described for FeN4CP-300, but without the addition of Fe(NO3)3.\n\nSynthesis of FeN4CP-X: The synthesis procedure is similar to the one described for FeN4CP-300, but with different annealing temperatures (500 \u00b0C and 700 \u00b0C).\n\nSynthesis of FeN4CP-SO3H: The synthesis procedure is similar to the one described for FeN4CP-300, but with the addition of sulfuric acid.",
+ "ground_truth": "Precursor synthesis: Pyrrole (3.0 g, 0.043 mol), methyl 4-formylbenzoate (6.9 g, 0.042 mol), and propionic acid (100 mL) were added to a 500 mL three-necked flask and the solution was refluxed at 140 \u00b0C for 12 h in darkness. After the reaction mixture was cooled to room temperature, purple crystals were collected by suction-filtration. Then the crystals were washed in the sequence of ethanol, ethyl acetate, and THF. Finally, the obtained crystals were dried under vacuum at 60 \u00b0C.\n\n[5,10,15,20-Tetrakis(4-methoxycarbonylphenyl)porphyrinato]-Fe(III) Chloride (Fe-TPPCOOMe): Typically, TPP-COOMe (0.854 g, 1.0 mmol) and FeCl2 \u00b7 4H2O (2.5 g, 12.8 mmol) in 100 mL of DMF were refluxed at 160 \u00b0C for 6 h. When the mixture was cooled to room temperature, 150 mL of H2O was added. After being filtered and washed with 50 mL of H2O twice, the resultant precipitate was dissolved in CHCl3, followed by extracting three times with 1 M HCl and twice with water. At length, the organic layer was dried over anhydrous magnesium sulfate and evaporated to afford quantitative dark brown crystals.\n\nTetrakis(4-carboxyphenyl)porphyrin (H2-TCPP): First, the obtained ester TPPCOOMe (0.75 g) was stirred in THF (25 mL) and MeOH (25 mL) mixed solvent, to which a solution of KOH (2.63 g, 46.95 mmol) containing 25 mL H2O was introduced. Next, the mixture was refluxed at 85 \u00b0C for 12 h. After cooling down to room temperature, the mixture was transferred to a beaker, to which 1 M HCl was added until pH reached 3~4, accompanied by the formation of precipitate. At length, the obtained product was washed with water for three times and dried under vacuum at 60 \u00b0C.\n\n[5,10,15,20-Tetrakis(4-carboxyphenyl)porphyrinato]-Fe(III) Chloride (Fe-TCPP): The obtained Fe-TPPCOOMe (0.75 g) was stirred in THF (25 mL) and MeOH (25 mL) mixed solvent, to which a solution of KOH (2.63 g, 46.95 mmol) in H2O (25 mL) was introduced. This mixture was refluxed at 85 \u00b0C. After cooling down to room temperature, THF and MeOH were evaporated. Subsequently, additional water was added to the resulting water phase and the mixture was heated until the solid was completely dissolved, then the homogeneous solution was acidified with 1 M HCl until no further precipitate was detected. The brown solid was collected by filtration, washed with water, and dried under vacuum at 60 \u00b0C.\n\nSAC synthesis: The mix-Fe-N-C was obtained by the direct pyrolysis of the physical mixture of Fe-TCPP (7 mg) and H2-TCPP (24 mg) at 800 \u00b0C for 2 h in N2 atmosphere."
+ },
+ {
+ "id": 144,
+ "sac_id": "Atom: Fe\nSupport Material: N-doped porous carbon (N-C)\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: N-doped porous carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanobenzene and urea were used as precursors. The mixture was heated to 800 \u00b0C under an argon atmosphere with a heating rate of 5 \u00b0C/min. After cooling down to room temperature naturally, the obtained black powder was washed with 2 M HCl solution followed by deionized water until pH neutral and dried at 60 \u00b0C for 12 h.\n\nSynthesis of C@C: The synthesis procedure is similar to the one described for FeN4CP-300, but without the addition of Fe(NO3)3.\n\nSynthesis of FeN4CP-X: The synthesis procedure is similar to the one described for FeN4CP-300, but with different annealing temperatures (500 \u00b0C and 700 \u00b0C).\n\nSynthesis of FeN4CP-SO3H: The synthesis procedure is similar to the one described for FeN4CP-300, but with the addition of sulfuric acid.",
+ "ground_truth": "Precursor synthesis: Pyrrole (3.0 g, 0.043 mol), methyl 4-formylbenzoate (6.9 g, 0.042 mol), and propionic acid (100 mL) were added to a 500 mL three-necked flask and the solution was refluxed at 140 \u00b0C for 12 h in darkness. After the reaction mixture was cooled to room temperature, purple crystals were collected by suction-filtration. Then the crystals were washed in the sequence of ethanol, ethyl acetate, and THF. Finally, the obtained crystals were dried under vacuum at 60 \u00b0C.\n\n[5,10,15,20-Tetrakis(4-methoxycarbonylphenyl)porphyrinato]-Fe(III) Chloride (Fe-TPPCOOMe): Typically, TPP-COOMe (0.854 g, 1.0 mmol) and FeCl2 \u00b7 4H2O (2.5 g, 12.8 mmol) in 100 mL of DMF were refluxed at 160 \u00b0C for 6 h. When the mixture was cooled to room temperature, 150 mL of H2O was added. After being filtered and washed with 50 mL of H2O twice, the resultant precipitate was dissolved in CHCl3, followed by extracting three times with 1 M HCl and twice with water. At length, the organic layer was dried over anhydrous magnesium sulfate and evaporated to afford quantitative dark brown crystals.\n\nTetrakis(4-carboxyphenyl)porphyrin (H2-TCPP): First, the obtained ester TPPCOOMe (0.75 g) was stirred in THF (25 mL) and MeOH (25 mL) mixed solvent, to which a solution of KOH (2.63 g, 46.95 mmol) containing 25 mL H2O was introduced. Next, the mixture was refluxed at 85 \u00b0C for 12 h. After cooling down to room temperature, the mixture was transferred to a beaker, to which 1 M HCl was added until pH reached 3~4, accompanied by the formation of precipitate. At length, the obtained product was washed with water for three times and dried under vacuum at 60 \u00b0C.\n\n[5,10,15,20-Tetrakis(4-carboxyphenyl)porphyrinato]-Fe(III) Chloride (Fe-TCPP): The obtained Fe-TPPCOOMe (0.75 g) was stirred in THF (25 mL) and MeOH (25 mL) mixed solvent, to which a solution of KOH (2.63 g, 46.95 mmol) in H2O (25 mL) was introduced. This mixture was refluxed at 85 \u00b0C. After cooling down to room temperature, THF and MeOH were evaporated. Subsequently, additional water was added to the resulting water phase and the mixture was heated until the solid was completely dissolved, then the homogeneous solution was acidified with 1 M HCl until no further precipitate was detected. The brown solid was collected by filtration, washed with water, and dried under vacuum at 60 \u00b0C.\n\nSAC synthesis: The mix-Fe-N-C was obtained by the direct pyrolysis of the physical mixture of Fe-TCPP (7 mg) and H2-TCPP (24 mg) at 800 \u00b0C for 2 h in N2 atmosphere."
+ }
+ ],
+ "10.1002_celc.201900772": [
+ {
+ "id": 145,
+ "sac_id": "Atom: Pd\nSupport Material: C@C3N4\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: C@C3N4\n\n",
+ "predicted": "Precursor synthesis: C3N4 was prepared by heating dicyandiamide (10 g) at room temperature to 550 \u00b0C at a heating rate of 3 \u00b0C min-1 in a tube furnace with a continuous N2 flow (100 mL min-1). After calcination, the system was naturally cooled down to room temperature to obtain C3N4.\nSynthesis of Pd/C@C3N4: A certain amount of C3N4 (2 g) was dispersed in 60 mL of deionized water under ultrasonication for 1 h. Then, the suspension was transferred into a Teflon-lined stainless steel autoclave and heated at 180 \u00b0C for 12 h. After cooling to room temperature, the product was collected by centrifugation and washed three times with deionized water. The as-prepared product was dried at 60 \u00b0C overnight and then calcined at 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C min-1 under a constant N2 flow (100 mL min-1). The final product is denoted as C@C3N4. Subsequently, 0.2 g of C@C3N4 was dispersed in 40 mL of deionized water containing 0.2 mmol of palladium(II) acetylacetonate. The suspension was irradiated with UV light for 6 h, and the resulting product was collected by centrifugation, washed three times with deionized water, and dried at 60 \u00b0C overnight. Finally, the dried product was annealed at 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C min-1 under a constant N2 flow (100 mL min-1). The obtained product is denoted as Pd/C@C3N4.",
+ "ground_truth": "Precursor synthesis: Palladium(II) chloride (PdCl2) was dissolved in hydrochloric acid (HCl) to make H2PdCl4. Distilled water was added to dissolve Pd precursor homogeneously, and then the precursor solution was dispersed in ethanol.\nSAC synthesis: 200 mg of C@C3N4 support was dispersed in 5 ml of Pd precursor solution and then stirred until the solution was completely dried at 60 \u00b0C. The obtained powder was further dried in a vacuum oven at 50 \u00b0C overnight. Pd catalysts were reduced at 400 \u00b0C in a tube furnace under 10 vol% H2 balanced with N2 for 1 hr, with a total flow rate of 200 sccm."
+ },
+ {
+ "id": 146,
+ "sac_id": "Atom: Pt\nSupport Material: C@C3N4\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: C@C3N4\n\n",
+ "predicted": "Precursor synthesis: C3N4 was prepared by heating dicyandiamide (10 g) at room temperature to 550 \u00b0C at a heating rate of 3 \u00b0C min-1 in a tube furnace with a continuous N2 flow (100 mL min-1). The calcination was continued at 550 \u00b0C for another 3 h. The system was naturally cooled down to room temperature in a N2 atmosphere.\n\nSynthesis of Pt nanoparticles loaded on C@C3N4 (Pt/C@C3N4): Typically, 100 mg of C3N4 was dispersed in 50 mL of deionized water under ultrasonication for 30 min. Then, the suspension was stirred for 30 min and adjusted to pH = 9.5 by adding 0.87 M NaOH solution. A certain amount of H2PtCl6\u00b76H2O solution (the mass ratio of H2PtCl6 to C3N4 is 0.05) was added dropwise into the C3N4 suspension under ultrasound. After stirring for 2 h, the precipitate was filtered and washed with deionized water until the filtrate became neutral. Finally, the product was dried at 60 \u00b0C overnight to obtain Pt/C@C3N4.",
+ "ground_truth": "Precursor synthesis: Chloroplatinic acid hexahydrate (H2PtCl6\u00b76H2O) was dissolved in anhydrous ethanol.\nSAC synthesis: 200 mg of C@C3N4 support was dispersed in 5 ml of Pt precursor solution and then stirred until the solution was completely dried at 60 \u00b0C. The obtained powder was further dried in a vacuum oven at 50 \u00b0C overnight. Pt catalysts were reduced at 200 \u00b0C in a tube furnace under 10 vol% H2 balanced with N2 for 1 hr, with a total flow rate of 200 sccm."
+ }
+ ],
+ "10.1002_anie.201804817": [
+ {
+ "id": 147,
+ "sac_id": "Atom: Pt\nSupport Material: Graphdiyne (GDY)\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Graphdiyne (GDY)\n\n",
+ "predicted": "Precursor synthesis: First, a Pyrex tube was filled with 1.0 mmol of 1,3,5-tris(4-aminophenyl)benzene (TAPB), 2.0 mmol of hexamethylenetetramine (HMT), and 6 mL of N,N-dimethylacetamide (DMAc). The mixture was dissolved by mechanical stirring for 15 minutes and then transferred to a Teflon-lined stainless steel bomb. The bomb was sealed and heated at 180 \u00b0C for 7 days. After cooling down to room temperature, the TAPB oligomer was collected as white powder. Then, 0.1 g of TAPB oligomer and 0.2 g of dicyandiamide were mixed thoroughly in a mortar. Subsequently, the solid mixture was loaded into a crucible and carbonized under Ar flow at 650 \u00b0C for 2 hours with a ramping rate of 5 \u00b0C min^-1. Finally, the dark brown powder was washed with dilute HCl solution followed by Milli-Q water to remove metallic impurities. After washing, the powder was dried overnight under vacuum at 60 \u00b0C.\n\nSynthesis of GDY/Pt: In a typical procedure, 20 mg of as-synthesized GDY powder was dispersed in 20 mL of ethanol under sonication for 1 hour. Then, 10 \u03bcL of chloroplatinic acid (10 wt% Pt in H2SO4) solution was added dropwise into the GDY ethanol suspension, followed by mechanical stirring for 12 hours. Afterward, the powder was collected via centrifugation and dried overnight under vacuum at 60 \u00b0C. Next, the GDY/Pt powder was calcined under Ar flow at 350 \u00b0C for 2 hours with a ramping rate of 5 \u00b0C min^-1.",
+ "ground_truth": "Precursor synthesis: Graphdiyne (GDY) was prepared on the surface of titanium foil through a modified crossing-coupling reaction using hexaethynylbenzene (HEB) as a precursor, according to the reported methods. [2,3] In detail, to a three-necked flask, 54 mL of trimethylsilylacetylene (TMSA) was dissolved in tetrahydrofuran under argon atmosphere at 195 K. Then 150 mL of n-butyl lithium was slowly added into the above mixture solution. After reacting for 30 min, 80 g of anhydrous zinc chloride was added to the above flask and the mixture was stirred for 2 h to obtain [(trimethylsilyl)ethynyl]zinc at ambient temperature. Subsequently, 12 g of hexabromobenzene, 1 g of Pd(PPh3)4 and 200 mL of toluene were added into the above mixture solution, the mixture was stirred under argon atmosphere at 80 \u00b0C for 14 days. After the reaction, 100 mL of 1 M HCl was added to dissolve the produced precipitate. The mixture was extracted with ethyl acetate. The solvent was evaporated and the residue was purified by column chromatography to obtain the hexakis[(trimethylsilyl)ethynyl]benzene (HEB-TMS). The HEB was obtained after deprotection of HEB-TMS by tetrabutyl ammonium fluoride (TBAF) and used immediately. To prepare GDY grown on titanium foils, five titanium foils wrapped in the envelopes of copper foils (10 cm * 1 cm) were added to the mixed solution of acetone, pyridine, and tetramethylethylenediamine (TMEDA) with a volume ratio of 100:5:1 in a flask. Then, 30 mg of HEB dissolved in 50 mL acetone was added steadily and slowly within 2 hours into the above mixed solution. After that, the solution was kept under an argon atmosphere at 50 \u00b0C for 18 hours. All the experimental setup should be kept protected from light. After reaction, graphdiyne nanowalls were grown on the surface of titanium foils. Finally, the titanium foils were rinsed with thermal acetone and DMF in turn to remove the unreacted monomer and oligomer, and then was annealed at 100 \u00b0C under argon atmosphere for 1 h in a tube furnace.\nSAC synthesis: Pt-GDY1 was prepared by impregnating the as-synthesized GDY grown on titanium foil (0.2 cm * 1.0 cm) in 160 mM K2PtCl4 aqueous solution at 0 \u00b0C for 8 h, and washed with plenty of water."
+ },
+ {
+ "id": 148,
+ "sac_id": "Atom: Pt\nSupport Material: Graphdiyne (GDY)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Graphdiyne (GDY)\n\n",
+ "predicted": "Precursor synthesis: First, a Pyrex tube was filled with 1.0 mmol of 1,3,5-tris(4-aminophenyl)benzene (TAPB), 2.0 mmol of hexamethylenetetramine (HMT), and 6 mL of N,N-dimethylacetamide (DMAc). The mixture was dissolved by mechanical stirring for 15 minutes and then transferred to a Teflon-lined stainless steel bomb. The bomb was sealed and heated at 180 \u00b0C for 7 days. After cooling down to room temperature, the TAPB oligomer was collected as white powder. Then, 0.1 g of TAPB oligomer and 0.2 g of dicyandiamide were mixed thoroughly in a mortar. Subsequently, the solid mixture was loaded into a crucible and carbonized under Ar flow at 650 \u00b0C for 2 hours with a ramping rate of 5 \u00b0C min^-1. Finally, the dark brown powder was washed with dilute HCl solution followed by Milli-Q water to remove metallic impurities. After washing, the powder was dried overnight under vacuum at 60 \u00b0C.\n\nSynthesis of GDY/Pt: In a typical procedure, 20 mg of as-synthesized GDY powder was dispersed in 20 mL of ethanol under sonication for 1 hour. Then, 10 \u03bcL of chloroplatinic acid (10 wt% Pt in H2SO4) solution was added dropwise into the GDY ethanol suspension, followed by mechanical stirring for 12 hours. Afterward, the powder was collected via centrifugation and dried overnight under vacuum at 60 \u00b0C. Next, the GDY/Pt powder was calcined under Ar flow at 350 \u00b0C for 2 hours with a ramping rate of 5 \u00b0C min^-1.",
+ "ground_truth": "Precursor synthesis: Graphdiyne (GDY) was prepared on the surface of titanium foil through a modified crossing-coupling reaction using hexaethynylbenzene (HEB) as a precursor, according to the reported methods. [2,3] In detail, to a three-necked flask, 54 mL of trimethylsilylacetylene (TMSA) was dissolved in tetrahydrofuran under argon atmosphere at 195 K. Then 150 mL of n-butyl lithium was slowly added into the above mixture solution. After reacting for 30 min, 80 g of anhydrous zinc chloride was added to the above flask and the mixture was stirred for 2 h to obtain [(trimethylsilyl)ethynyl]zinc at ambient temperature. Subsequently, 12 g of hexabromobenzene, 1 g of Pd(PPh3)4 and 200 mL of toluene were added into the above mixture solution, the mixture was stirred under argon atmosphere at 80 \u00b0C for 14 days. After the reaction, 100 mL of 1 M HCl was added to dissolve the produced precipitate. The mixture was extracted with ethyl acetate. The solvent was evaporated and the residue was purified by column chromatography to obtain the hexakis[(trimethylsilyl)ethynyl]benzene (HEB-TMS). The HEB was obtained after deprotection of HEB-TMS by tetrabutyl ammonium fluoride (TBAF) and used immediately. To prepare GDY grown on titanium foils, five titanium foils wrapped in the envelopes of copper foils (10 cm * 1 cm) were added to the mixed solution of acetone, pyridine, and tetramethylethylenediamine (TMEDA) with a volume ratio of 100:5:1 in a flask. Then, 30 mg of HEB dissolved in 50 mL acetone was added steadily and slowly within 2 hours into the above mixed solution. After that, the solution was kept under an argon atmosphere at 50 \u00b0C for 18 hours. All the experimental setup should be kept protected from light. After reaction, graphdiyne nanowalls were grown on the surface of titanium foils. Finally, the titanium foils were rinsed with thermal acetone and DMF in turn to remove the unreacted monomer and oligomer, and then was annealed at 100 \u00b0C under argon atmosphere for 1 h in a tube furnace.\nSAC synthesis: Pt-GDY1 was prepared by impregnating the as-synthesized GDY grown on titanium foil (0.2 cm * 1.0 cm) in 160 mM K2PtCl4 aqueous solution at 0 \u00b0C for 8 h, and washed with plenty of water."
+ }
+ ],
+ "10.1002_anie.201901575": [
+ {
+ "id": 149,
+ "sac_id": "Atom: Ni/0.5Fe\nSupport Material: N-C (Nitrogenated Carbon)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni/0.5Fe\nSupport Material: N-C (Nitrogenated Carbon)\n\n",
+ "predicted": "Precursor synthesis: 1 g activated carbon and 2.4 g metal nitrates (Ni(NO3)2\u00b76H2O and Fe(NO3)3\u00b79H2O with a molar ratio of 1:1 for Ni/Fe) were mixed in 80 mL deionized water under stirring for 1 h. The mixture was then dried at 80 \u00b0C for 12 h. The obtained powder was calcinated at 800 \u00b0C for 2 h under Ar atmosphere with a ramping rate of 5 \u00b0C min -1. After cooling down to room temperature, the product was washed with 6 M HCl solution and deionized water for several times, respectively. Then, the obtained sample was denoted as Ni/Fe-N-C. The Ni/0.5Fe-N-C sample was prepared by adjusting the molar ratio of Ni(NO3)2\u00b76H2O and Fe(NO3)3\u00b79H2O to be 1:1.\n\nElectrochemical measurement: The as-prepared Ni/Fe-N-C electrocatalyst was used without any further treatment or modification. Electrochemical measurements were conducted using a CHI 760E workstation (Shanghai Chenhua Instrument Co., Ltd.). A three-electrode system was employed for linear sweep voltammetry (LSV), linear sweep cyclic voltammetry (LSCV), and chronopotentiometry (CP). An ink with 5 mg Ni/Fe-N-C electrocatalyst, 0.5 mM NH4Cl, 5 \u03bcM [Fe(CN)6]3-/4- and 0.1 M KOH was first sonicated for 2 h to prepare the electrolyte. 10 \u03bcL ink was dropped onto the working electrode surface (geometric area: 0.1 cm\u00b2) and dried afterward. A Ag/AgCl electrode and a graphite rod were used as the reference and counter electrodes, respectively. The LSV and LSCV were performed on the Ni/Fe-N-C modified working electrode. The LSV was carried out from 0.05 to -0.6 V vs. RHE with a scan rate of 10 mV s -1, while the LSCV was executed from 0.05 to -0.6 V vs. RHE with a scan rate of 0.05 V s -1. The chronopotentiometry was tested at -0.45 V vs. RHE with a current density of -1 mA cm-2 for 1000 s.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, 1.97 g 2-methylimidazole (MeIM) was dissolved in 150 ml methanol, which was subsequently added into 150 ml methanol containing 1.695 g Zn(NO3)2\u00b76H2O and 30 mg Fe(NO3)3\u00b79H2O. The Fe doped ZIF-8 was grown under static at 60 o C for 12 h, and then stirred for another 12 h. The precipitates were centrifuged and washed with methanol for several times and dried in vacuum at 60 o C overnight.\nSAC synthesis: The as-obtained powder (100 mg) was dispersed in n-hexane (12 ml) under ultrasound for 1 h at room temperature. After forming a homogeneous suspension, Ni(NO3)2 methanol solution (25 mg ml -1 , 140 \u00b5L) was dropwise added to the above solution under ultrasound for 10 min at room temperature. Next, the mixed solution was stirred for another 1 h at room temperature. Then the sample was centrifuged and washed with methanol for several times and dried in vacuum at 60 o C overnight. Finally, the sample was placed in a tube furnace and heated to 1000 o C for 1 h in a stream of Ar to yield Ni/0.5Fe-N-C."
+ },
+ {
+ "id": 150,
+ "sac_id": "Atom: Fe\nSupport Material: N-C (Nitrogenated Carbon)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: N-C (Nitrogenated Carbon)\n\n",
+ "predicted": "Precursor synthesis: 1.0 g of Zn(NO3)2\u00b76H2O and 1.5 mmol of Fe(acac)3 were dissolved in 48 mL of methanol with stirring. Subsequently, 7.5 mL of 2 M NaOH solution was added to the above solution under stirring for 30 min. Then, 9.0 mL of methanol solution containing 2-methylimidazole was added to the above solution. After continuous stirring at room temperature for 12 h, the product was collected by centrifugation and washed with ethanol three times.\nS synthesis: The Fe/Zn@ZIF-8 precursor was heated to 950 \u00b0C (5 \u00b0C/min) for 3 h under an Ar flow. After naturally cooling down to room temperature, the product was collected without any further treatment.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, 1.97 g 2-methylimidazole (MeIM) was dissolved in 150 ml methanol, which was subsequently added into 150 ml methanol containing 1.695 g Zn(NO3)2\u00b76H2O and 60 mg Fe(NO3)3\u00b79H2O. The Fe doped ZIF-8 was grown under static at 60 o C for 12 h, and then stirred for another 12 h. The as-obtained precipitates were centrifuged and washed with methanol for several times and dried in vacuum at 60 o C overnight.\nSAC synthesis: Finally, the sample was placed in a tube furnace and heated to 1000 o C for 1 h in a stream of Ar to yield Fe-N-C."
+ },
+ {
+ "id": 151,
+ "sac_id": "Atom: Ni\nSupport Material: N-C (Nitrogenated Carbon)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: N-C (Nitrogenated Carbon)\n\n",
+ "predicted": "Precursor synthesis: 1 g of nickel acetate tetrahydrate was dissolved in 20 mL of ethylene glycol via magnetic stirring at room temperature for 3 h. Subsequently, the transparent solution was transferred into a Teflon-lined autoclave with a volume of 50 mL and heated at 180 \u00b0C for 4 h to obtain NiO nanoparticles.\n\nNi-N-C preparation: 600 mg of dicyandiamide was placed in a porcelain boat, which was subsequently heated at 700 \u00b0C for 2 h with a heating rate of 3 \u00b0C min -1 under Ar flow (100 sccm). The obtained sample was grinded into powder after cooling to room temperature. Finally, 100 mg of the obtained material was annealed at 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C min -1 under Ar flow (50 sccm), followed by washing with 2 M HCl for 12 h to remove metal particles.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, 1.97 g 2-methylimidazole (MeIM) was dissolved in 80 ml methanol, which was subsequently added into 80 ml methanol containing 1.695 g Zn(NO3)2\u00b76H2O. The ZIF-8 was then obtained by stirring for 12 h at room temperature. The as-obtained precipitates were centrifuged and washed with methanol for several times and dried in vacuum at 60 o C overnight.\nSAC synthesis: The powder of ZIF-8 (100 mg) was dispersed in n-hexane (12 ml) under ultrasound for 1 h at room temperature. After forming a homogeneous suspension, Ni(NO3)2 methanol solution (25 mg ml -1 , 140 \u00b5L) was dropwise added to the above solution under ultrasound for 10 min at room temperature. Next, the mixed solution was stirred for another 1 h at room temperature. Then the sample was centrifuged and washed with methanol for several times and dried in vacuum at 60 o C overnight. Finally, the sample was placed in a tube furnace and heated to 1000 o C for 1 h in a stream of Ar to yield Ni-N-C."
+ },
+ {
+ "id": 152,
+ "sac_id": "Atom: Ni/Fe\nSupport Material: N-C (Nitrogenated Carbon)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni/Fe\nSupport Material: N-C (Nitrogenated Carbon)\n\n",
+ "predicted": "Precursor synthesis: The Fe-ZIF was prepared following the reported method. 30 Typically, 2 mmol of Fe(NO3)3\u00b76H2O and 8 mmol of tannic acid were dissolved in 50 mL of methanol under vigorous stirring to obtain a homogeneous solution. Then, the solution was sealed in a Teflon-lined autoclave and heated at 140 \u00b0C for 12 h. After cooling naturally, the product was collected by centrifugation and washed with ethanol several times and dried at 70 \u00b0C in air.\n\nNi/Fe-N-C preparation: A mixture of as-synthesized Fe-ZIF and NiCl2\u00b76H2O with a mass ratio of 1:1 was placed in a crucible and annealed at 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C min -1 under Ar atmosphere. After natural cooling, the black powder was collected and designated as Ni/Fe-N-C.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, 1.97 g 2-methylimidazole (MeIM) was dissolved in 150 ml methanol, which was subsequently added into 150 ml methanol containing 1.695 g Zn(NO3)2\u00b76H2O and 60 mg Fe(NO3)3\u00b79H2O. The Fe doped ZIF-8 was grown under static at 60 o C for 12 h, and then stirred for another 12 h. The as-obtained precipitates were centrifuged and washed with methanol for several times and dried in vacuum at 60 o C overnight.\nSAC synthesis: The powder of Fe doped ZIF-8 (100 mg) was dispersed in n-hexane (12 ml) under ultrasound for 1 h at room temperature. After forming a homogeneous suspension, Ni(NO3)2 methanol solution (25 mg ml -1 , 140 \u00b5L) was dropwise added to the above solution under ultrasound for 10 min at room temperature. Next, the mixed solution was stirred for another 1 h at room temperature. Then the sample was centrifuged and washed with methanol for several times and dried in vacuum at 60 o C overnight. Finally, the sample was placed in a tube furnace and heated to 1000 o C for 1 h in a stream of Ar to yield Ni/Fe-N-C."
+ }
+ ],
+ "10.1002_anie.201914977": [
+ {
+ "id": 153,
+ "sac_id": "Atom: Fe\nSupport Material: Carbon derived from MgFe-MOF-74\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Carbon derived from MgFe-MOF-74\n\n",
+ "predicted": "Precursor synthesis: The synthesis of MgFe-MOF-74 was similar to that of ZnFe-MOF-74, except that MgCl2\u00b76H2O (1.08 g) and 3 mL H2O were used instead of ZnCl2\u00b76H2O and CH3COOH.\n\nSynthesis of carbon with high surface area derived from MgFe-MOF-74 (denoted as HS-FeNCs): The synthesis procedure is the same as that for FeNCs.",
+ "ground_truth": "Precursor synthesis: The MgFe-MOF-74 was synthesized following the same procedure as MgNi-MOF-74 except for the addition of 0.0014 g Fe(NO3)3\u00b79H2O instead of 0.001 g Ni(NO3)2\u00b76H2O.\nSAC synthesis: Firstly, the as-synthesized MgFe-MOF-74 was soaked in acetone for 24 h. Then, 100 mg MgFe-MOF-74 was added into a 10 mL flask and heated to 135 \u00b0C under reduced pressure overnight to evacuate the solvent molecules inside the pore. After cooling down to room temperature, 3 mL Py monomers were added in the flask under reduced pressure for 0.5 h to fill Py monomers into the activated/empty MOF nanochannels, after which the excess Py monomers were removed by washing with CH2Cl2 for five times. In situ polymerization of Py in MOF was completed by immersing Py@MgFe-MOF-74 composite in the hexane solution of I2 (0.05 M) in the freezer for 72 h. Finally, the dark green material was washed vigorously with hexane solvent, and PPy@MgFe-MOF-74 composite was obtained. The FeSA-N-C was synthesized from PPy@MgFe-MOF-74 following the same procedure as NiSA-N3-C."
+ },
+ {
+ "id": 154,
+ "sac_id": "Atom: Co\nSupport Material: Carbon derived from MgCo-MOF-74\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Carbon derived from MgCo-MOF-74\n\n",
+ "predicted": "Precursor synthesis: MOF-74 was synthesized by following the reported procedure. [1] The reaction of ligand (2,4-dihydroxybenzoic acid, 4H3O2C6H3O) and metal (Co), Zn in DMF at room temperature yields MOF-74. Similarly, the reaction of MOF-74 with Mg at room temperature leads to the formation of MOF-74-MgCo. In a typical procedure, the reaction mixture of MOF-74 (50 mg) and metallic Co (18.9 mg) is carried out in DMF (10 mL). The reaction mixture is stirred for 24 h at room temperature. After complete evaporation of solvent, the product is collected as dark blue powder.\n\nSynthesis of carbon sample derived from MOF-74-MgCo: For the synthesis of carbon sample derived from MOF-74-MgCo, the MOF-74-MgCo precursor is heated under N2 flow at 1000 \u00b0C for 2 h. The heating rate is 5 \u00b0C min-1. Afterward, the product is collected as black powder.",
+ "ground_truth": "Precursor synthesis: The MgCo-MOF-74 was synthesized following the same procedure as MgNi-MOF-74 except for the addition of 0.001 g Co(NO3)2\u00b76H2O instead of 0.001 g Ni(NO3)2\u00b76H2O.\nSAC synthesis: Firstly, the as-synthesized MgCo-MOF-74 was soaked in acetone for 24 h. Then, 100 mg MgCo-MOF-74 was added into a 10 mL flask and heated to 135 \u00b0C under reduced pressure overnight to evacuate the solvent molecules inside the pore. After cooling down to room temperature, 3 mL Py monomers were added in the flask under reduced pressure for 0.5 h to fill Py monomers into the activated/empty MOF nanochannels, after which the excess Py monomers were removed by washing with CH2Cl2 for five times. In situ polymerization of Py in MOF was completed by immersing Py@MgCo-MOF-74 composite in the hexane solution of I2 (0.05 M) in the freezer for 72 h. Finally, the dark green material was washed vigorously with hexane solvent, and PPy@MgCo-MOF-74 composite was obtained. The CoSA-N-C was synthesized from PPy@MgCo-MOF-74 following the same procedure as NiSA-N2-C."
+ },
+ {
+ "id": 155,
+ "sac_id": "Atom: Ni\nSupport Material: Carbon derived from MgNi-MOF-74\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Carbon derived from MgNi-MOF-74\n\n",
+ "predicted": "Precursor synthesis: The MgNi-MOF-74 was synthesized by following the reported method. [1] A mixture of Mg(NO3)2\u00b76H2O (0.5 mmol, 189 mg), Ni(NO3)2\u00b76H2O (0.5 mmol, 160 mg), terephthalic acid (0.5 mmol, 79 mg), and HBT (10 mg) in DMF (10 mL) was transferred to a 15 mL Teflon-lined stainless steel autoclave and heated at 120 \u00b0C for 24 h. After cooling down to room temperature, the yellowish powder was collected by centrifugation, washed with DMF and methanol three times, and dried under vacuum overnight.\n\nSynthesis of carbon with Ni nanoparticles: The synthesis procedure is similar to the procedure C1-N1 but using the as-synthesized MgNi-MOF-74 precursor.",
+ "ground_truth": "Precursor synthesis: Typically, Mg(NO3)2\u00b76H2O (0.14 g), Ni(NO3)2\u00b76H2O (0.001 g) and H4dobdc (0.04 g) were ultrasonically dissolved in a mixed solvent contained 15 mL DMF, 1 mL EtOH and 1 mL H2O. Then, the mixture was heated in 120 \u00b0C for 24 h. After cooling down to room temperature, the yellow products were separated by centrifugation and washed with acetone for three times.\nSAC synthesis: Firstly, the as-synthesized MgNi-MOF-74 was soaked in acetone for 24 h. Then, 100 mg MgNi-MOF-74 was added into a 10 mL flask and heated to 135 \u00b0C under reduced pressure overnight to evacuate the solvent molecules inside the pore. After cooling down to room temperature, 3 mL Py monomers were added in the flask under reduced pressure for 0.5 h to fill Py monomers into the activated/empty MOF nanochannels, after which the excess Py monomers were removed by washing with CH2Cl2 for five times. In situ polymerization of Py in MOF was completed by immersing Py@MgNi-MOF-74 composite in the hexane solution of I2 (0.05 M) in the freezer for 72 h. Finally, the dark green material was washed vigorously with hexane solvent, and PPy@MgNi-MOF-74 composite was obtained. PPy@MgNi-MOF-74 was pyrolyzed at 900 \u00b0C for 2 h, with a heating rate of 5 \u00b0C/min in N2 atmosphere. Subsequently, the MgO in the resultant product was removed by immersing the sample in 1 M HNO3 solution at room temperature for 2 h, which was repeated for 3 times. The solid was washed with water until the filtrate became neutral and then dried at 60 \u00b0C for 12 h to afford NiSA-N2-C."
+ }
+ ],
+ "10.1002_anie.201812423": [
+ {
+ "id": 156,
+ "sac_id": "Atom: Pt\nSupport Material: BPdefect\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: BPdefect\n\n",
+ "predicted": "Precursor synthesis: 50 mg of H2PtCl6 was dissolved in 1 mL deionized water. 100 mg of BPdefect was added to the solution and stirred for 3 h at room temperature. The mixture was then dried at 80 \u00b0C for 12 h to remove the water.\nAnnealing: The dried mixture was annealed at 400 \u00b0C for 2 h under a flow of Ar (100 sccm) with a heating ramp rate of 5 \u00b0C min -1.",
+ "ground_truth": "Precursor synthesis: Platinum Acetylacetonate (Pt(acac)2) was purchased from J&K Scientific Ltd. Hydrogen Peroxide (H2O2) and Perchloric Acid (HClO4) were purchased from Beijing Chemical Works. Nafion Solution (5 wt.%) was obtained from Sigma-Aldrich.\n\nSAC synthesis: Preparation of BPdefect: 100 mg of BP2000 was dispersed in the mixed solution of 25 mL H2O and 25 mL ethanol under ultra-sonication for 1 hour. 0.5 mL of H2O2 was added into the resulting black suspension. After 10 minutes of magnetic stirring, the black suspension was transferred into 200 mL of teflon-sealed autoclave and heated at 200 \u2103 for 6 hours. After cooling down, a black solid product obtained by filtration and separation of the suspension was vacuum dried at 50 \u2103 for 2 hours. Preparation of Pt1.1/BPdefect: 50 mg of the dried solid product and 430 uL of Pt(acac)2 (1.27 mgPt ml -1, ethanol solution) were mixed in the solution of 25 mL H2O and 25 mL ethanol under ultra-sonication for 1 hour. After 2 hours of violent magnetic stirring, the resulting suspension was freeze-dried. The pyrolysis of the dried fluffy powder was performed at 900 \u2103 for 1 h under argon atmosphere with a flow rate of 80 mL min -1. The finally obtained powder was Pt1.1/BPdefect catalyst with a Pt content of 1.1 wt.% from inductively coupled plasma mass spectrometry (ICP-MS)."
+ }
+ ],
+ "10.1002_smll.202006834": [
+ {
+ "id": 157,
+ "sac_id": "Atom: Cu\nSupport Material: Nitrogen-doped carbon (N-doped carbon)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: Nitrogen-doped carbon (N-doped carbon)\n\n",
+ "predicted": "Precursor synthesis: 1,3,5-Tris(4-aminophenyl)benzene (50.0 mg), copper acetate monohydrate (82.6 mg) and 1,10-phenanthroline (170.0 mg) were dispersed in ethanol (20 mL) under ultrasound for 15 min at room temperature. Subsequently, the mixture was stirred vigorously for another 15 min before it was transferred into a Teflon-lined stainless steel autoclave and heated at 120 \u00b0C for 12 h. The obtained solid product was washed with ethanol several times and dried at 60 \u00b0C. This sample is denoted as Cu-TAPB.\nSynthesis of Cu-TAPB/NC: A 20 mg amount of Cu-TAPB powder was mixed with 20 mL of ethanol by ultrasonication for 15 min at room temperature. Then, 40 mL of a dopamine hydrochloride solution (10 mg mL -1 ) was added dropwise to the above solution under stirring at room temperature for 3 h. After rotary evaporation, the obtained powder was heated at 800 \u00b0C for 3 h with a heating rate of 5 \u00b0C min -1 under an argon atmosphere to yield the final product, which was soaked in 0.5 M H2SO4 at 80 \u00b0C for 2 h and then washed thoroughly with water and ethanol. This sample is designated as Cu-TAPB/NC.\n\nSensing performance evaluation: The sensing performance of Cu-TAPB/NC towards various gases was evaluated using a gas sensing measurement system (Beihai Sens Technology Co., Ltd.). The test gas consisted of a carrier gas (air) and target gas (CO, NO2, CH4, H2, or CO2). Before testing, the samples were pre-treated in air for 30 min to remove surface adsorbed water and oxygen. The resistance of Cu-TAPB/NC was recorded after stabilization. The test voltage was set to 2 V, and the resistance value was recorded after stabilization. The response (R g /R air ) was calculated based on the ratio of the resistance values measured in the target gas (R g ) and air (R air ). The selectivity (R g /R CO ) was determined using the ratio of the resistance values measured in CO (R CO ) and CO (R air ). All measurements were conducted at 300 \u00b0C.",
+ "ground_truth": "Precursor synthesis: Creatine and Cu(NO3)2\u00b72.5H2O were first added to a flask containing 25 mL deionized water with vigorously stirring at 80 \u00b0C. After stirring for 2 h, sodium hydroxide (1.83 g; 45.8 mmol) was added to the slight yellow solution and raise the temperature to 100 \u00b0C to evaporate water and ensure the completion of coordination for 24 h. The collected claret red solid (\u2248 8.4 g with reasonable losses) was placed in a tube furnace and then heated to 600 \u00b0C for 2 h at the heating rate of 5 \u00b0C min-1 under flowing Ar gas, heated under mixed gas (hydrogen 5% in Ar) to 400 \u00b0C for 2 h and then naturally cooled to room temperature to obtain the representative samples (2.89 g, pyrolyzed loss rate 65.5%). The obtained sample was washed with deionized water for three times to remove soluble impurities (denoted as DAS-Cu-NPs; 0.80 g; nominal loading: 45.4 wt%; actual loading: 40.2 wt%). Cu NPs was etched with saturate CuSO4 in HCl solution (35 wt%) and finally catalysts were obtained (0.45 g; nominal loading: 2.9 wt%; actual loading: 4.6 wt%).\nSAC synthesis: In a typical synthetic procedure of DAS-Cu, creatine (6.00 g; 45.8 mmol) and Cu(NO3)2\u00b72.5H2O (1.331 g; 5.72 mmol; 0.125 eq) were first added to a flask containing 25 mL deionized water with vigorously stirring at 80 \u00b0C. After stirring for 2 h, sodium hydroxide (1.83 g; 45.8 mmol) was added to the slight yellow solution and raise the temperature to 100 \u00b0C to evaporate water and ensure the completion of coordination for 24 h. The collected claret red solid (\u2248 8.4 g with reasonable losses) was placed in a tube furnace and then heated to 600 \u00b0C for 2 h at the heating rate of 5 \u00b0C min-1 under flowing Ar gas, heated under mixed gas (hydrogen 5% in Ar) to 400 \u00b0C for 2 h and then naturally cooled to room temperature to obtain the representative samples (2.89 g, pyrolyzed loss rate 65.5%). The obtained sample was washed with deionized water for three times to remove soluble impurities (denoted as DAS-Cu-NPs; 0.80 g; nominal loading: 45.4 wt%; actual loading: 40.2 wt%). Cu NPs was etched with saturate CuSO4 in HCl solution (35 wt%) and finally catalysts were obtained (0.45 g; nominal loading: 2.9 wt%; actual loading: 4.6 wt%)."
+ }
+ ],
+ "10.1002_chem.201803615": [
+ {
+ "id": 158,
+ "sac_id": "Atom: Co\nSupport Material: Reduced Graphene Oxide (RGO)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Reduced Graphene Oxide (RGO)\n\n",
+ "predicted": "Precursor synthesis: Cobalt (II) acetate tetrahydrate and 1,10-phenanthroline monohydrate were used as precursors.\n\nSynthesis: In a typical procedure, 20 mg of reduced graphene oxide (RGO), 35 mg of cobalt (II) acetate tetrahydrate (Co(CH3COO)2\u00b74H2O), and 60 mg of 1,10-phenanthroline monohydrate (C12H8N2\u00b7H2O) were dispersed in 75 mL of deionized water under ultrasonication for 2 h to obtain a homogeneous solution. The mixture was then heated at 90 \u00b0C for another 2 h under continuous stirring. After the solution was allowed to cool down naturally to room temperature, it was centrifuged at 10,000 rpm for 10 min. The obtained black slurry was dried in an oven at 60 \u00b0C overnight. The dried powder was grinded into fine powder and then heated to 600 \u00b0C with a heating rate of 10 \u00b0C min^-1 and maintained at this temperature for 2 h in a nitrogen flow (50 mL min^-1). After being naturally cooled down to room temperature, the product was ready for use without any further treatment.\n\nCharacterization: The crystal structure of the products was analyzed by X-ray diffraction (XRD) using Cu K\u03b1 radiation. Raman spectra were recorded on a Renishaw inVia Qontor confocal Raman microscope equipped with a 532 nm laser with a power of 0.1 - 0.5 mW depending on the sample, using a 50\u00d7 objective lens. Scanning electron microscopy (SEM) images were taken using a Zeiss ULTRA Plus SEM. Transmission electron microscopy (TEM) images were acquired using a JEOL JEM-2100F TEM operating at 200 kV. Electrochemical measurements were performed using a three-electrode system with a CHI 760E workstation. A piece of glassy carbon electrode (3 mm in diameter), Ag/AgCl (3 M KCl), and platinum wire were used as working, reference, and counter electrodes, respectively. Cyclic voltammetry (CV) experiments were carried out in a potential window from \u2212 0.2 to + 0.5 V versus Ag/AgCl at a scan rate of 5, 10, 50, or 100 mV s^-1. Linear sweep voltammetry (LSV) was conducted with a scan rate of 5 or 10 mV s^-1 after the CV scans between \u2212 0.2 and + 0.5 V versus Ag/AgCl. Electrochemical impedance spectroscopy (EIS) tests were measured with an AC signal frequency ranging from 100 k to 100 mHz and an amplitude of 10 mV. All the potentials reported in this study were versus Ag/AgCl (3 M KCl) unless otherwise specified.",
+ "ground_truth": "Precursor synthesis: Tris(2-benzimidazolylmethyl)amine (NTB) was prepared by the dehydration of nitrilotriacetic acid with o-phenylenediamine as reported elsewhere. [33a] Cobalt(II) nitrate hexahydrate (1 mmol) dissolved in methanol (5 mL) was added dropwise to a methanol suspension (10 mL) of NTB (1 mmol) with stirring. During the reaction, the mixture was a clear pink solution, and after a few minutes, a pink precipitate formed. Stirring was continued for 1 h, and the complex was isolated by filtration, washed with cold methanol, and dried under vacuum.\nSAC synthesis: Similar to Ni-N-RGO, Co(NTB) was used to prepare Co-N-RGO by the same method. The complexes were adsorbed onto the graphene oxide sheets, and the resulting complexes were annealed under the same conditions to produce Co-N-RGO."
+ },
+ {
+ "id": 159,
+ "sac_id": "Atom: Fe\nSupport Material: Reduced Graphene Oxide (RGO)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Reduced Graphene Oxide (RGO)\n\n",
+ "predicted": "Precursor synthesis: Iron pentacarbonyl (Fe(CO)5) was used as the iron precursor.\n\nSynthesis: The RGO-supported Fe nanoparticles were prepared by a two-step synthetic procedure. In a typical experiment, 0.1 g of reduced graphene oxide (RGO) powder and 0.02 g of Fe(CO)5 were added into 30 mL of tetrahydrofuran (THF). Then, the suspension was sonicated for 1 h and stirred at room temperature for another 6 h. After that, the solid in the suspension was separated by centrifugation and dried under vacuum overnight. Finally, the obtained sample was heated at 800 \u00b0C for 2 h with a heating rate of 5 \u00b0C min -1 under flowing Ar gas to yield the final product. For comparison, the samples with different RGO mass ratios (0.05 g, 0.1 g) were also prepared using the same procedure.\n\nOtherness detection: X-ray photoelectron spectroscopy (XPS) was employed to detect otherness. The Fe 2p spectrum showed that the peak positions were slightly shifted to lower energy compared with that of pure Fe nanoparticles, which indicated the formation of Fe-C bonds.",
+ "ground_truth": "Precursor synthesis: Tris(2-benzimidazolylmethyl)amine (NTB) was prepared by the dehydration of nitrilotriacetic acid with o-phenylenediamine as reported elsewhere. [33a] Iron(III) nitrate nonahydrate (1 mmol) dissolved in methanol (5 mL) was added dropwise to a methanol suspension (10 mL) of NTB (1 mmol) with stirring. The stirring was continued for 1 h. Then, the solution was concentrated to 5 mL, and a small amount of ether was added to generate a yellow precipitate. The yellow precipitate was isolated by filtration, washed with a cold mixture of methanol/tetrahydrofuran, and dried under vacuum.\nSAC synthesis: Similar to Ni-N-RGO, Fe(NTB) was used to prepare Fe-N-RGO by the same method. The complexes were adsorbed onto the graphene oxide sheets, and the resulting complexes were annealed under the same conditions to produce Fe-N-RGO."
+ },
+ {
+ "id": 160,
+ "sac_id": "Atom: Ni\nSupport Material: Reduced Graphene Oxide (RGO)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Reduced Graphene Oxide (RGO)\n\n",
+ "predicted": "Precursor synthesis: The precursor of the Ni-based alloy was prepared by electrodeposition. In detail, 10 mM Ni(NO\u2083)\u2082, 0.5 M H\u2083BO\u2083, and 0.05 M C\ufffd2H\u2085NH\u2082 in deionized water were used as the electrolyte. A piece of RGO was used as the cathode, and a platinum plate is used as the anode. The RGO was connected to the negative clip of the power supply, and the preliminary Ni-based alloy was grown on the surface of RGO at -1.0 V for 30 s. Subsequently, the preliminary Ni-based alloy was further grown on the surface of RGO at -1.5 V for another 15 s. Finally, the precursor consisting of Ni and Cu was obtained after drying.\n\nAnnealing: After the precursor was obtained, it was annealed at 800 \u00b0C under Ar atmosphere for 4 h with a ramping rate of 5 \u00b0C min\u207b\u00b9. The Ni-Cu alloy nanoparticles supported by reduced graphene oxide were finally obtained.",
+ "ground_truth": "Precursor synthesis: Tris(2-benzimidazolylmethyl)amine (NTB) was prepared by the dehydration of nitrilotriacetic acid with o-phenylenediamine as reported elsewhere. [33a] Nickel(II) nitrate hexahydrate (1 mmol) dissolved in methanol (5 mL) was added dropwise to a methanol suspension (10 mL) of NTB (1 mmol) with stirring. During the reaction, the mixture was a clear lavender solution, and after a few minutes, a lavender precipitate formed. Stirring was continued for 1 h, and the complex was isolated by filtration, washed with cold methanol, and dried under vacuum.\nSAC synthesis: The graphene oxide solution was prepared by a modified Hummer's method by oxidizing graphite with potassium permanganate as the oxidant in a mixture of sulfuric acid and phosphoric acid. [34] The prepared GO was exfoliated in water by sonication to yield a solution of graphene oxide sheets. Ni(NTB) (10 mg) dissolved in deionized (DI) water (5 mL) was added to a 2 mg/mL GO solution (5 mL) with stirring. The aggregated Ni(NTB)-GO complex was isolated by filtration and washed with water and ethanol. Ni(NTB)-GO was resuspended in water and freeze-dried. The dried Ni(NTB)-GO complex was placed in a tube furnace and heated to 800 \u00b0C with a heating rate of 20 \u00b0C/min and annealed at 800 \u00b0C for 1 h under argon. The annealed sample was cooled to room temperature and washed with a 1:1 mixture of 1 M HCl/ethanol to etch the unstable nickel species. The material was then washed with ethanol, filtered, and dried."
+ }
+ ],
+ "10.1002_aenm.201701345": [
+ {
+ "id": 161,
+ "sac_id": "Atom: Pt\nSupport Material: C\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: C\n\n",
+ "predicted": "Precursor synthesis: The Pt/C catalyst was prepared by the incipient wetness impregnation method. In a typical synthesis, 0.1 g of carbon black (Ketjen Black EC-600JD) was dispersed into 50 mL of deionized water under ultrasonication for 30 min. Then, 4.8 mg of H2PtCl6\u00b76H2O (0.02 mmol) was dissolved into this carbon suspension and kept stirring at room temperature for 1 h. After that, the suspension was dried at 70 \u00b0C for 12 h to remove water. Subsequently, the obtained solid was calcined at 500 \u00b0C for 2 h with a heating rate of 5 \u00b0C min -1 under an Ar atmosphere. Finally, the Pt/C catalyst was obtained by reducing the calcined solid in 10 vol% H2 balanced with Ar at 200 \u00b0C for 2 h.",
+ "ground_truth": "Precursor synthesis: The Fe-N-C catalyst was synthesized according to the reported method. [1,2] Briefly, the mixture of 2-methylimidazole (920 mg, Sigma-Aldrich) and ZnO (400 mg, Sigma-Aldrich) was slightly grinded for 10 min, sealed in an autoclave under Ar atmosphere, and heated in a vacuum oven at 200 \u00b0C for 16 h. The obtained white powder (ZIF-8), 1,10-phenanthroline (\u2265 99%, Aldrich) and iron acetate (95%, Aldrich) were added into a solvent mixture of ethanol and deionized (DI) water (18.3 M \u03a9\u00b7cm, Human Power II + Scholar) (ethanol/water ratio = 1:2) and stirred for 1 h. After drying the slurry, the powder was ball-milled for 3 h under 400 rpm speed. Finally, the Fe-N-C catalyst was obtained after two consequential annealing at 1000 \u00b0C in Ar atmosphere for 60 min and at 900 \u00b0C in NH3 atmosphere for 10 min. The as-prepared Fe-N-C was washed in sulfuric acid (0.5 M) with stirring at room temperature for 6 h to remove soluble impurity, e.g., Fe/Fe3C nanoparticles, and instable active sites. The purified Fe-N-C was collected through filtration, DI water washing, and drying in a vacuum oven at 40 \u00baC for 12 h.\n\nSAC synthesis: Pt1@Fe-N-C catalyst was prepared by an incipient wetness impregnation (IWI) method. Typically, 50 mg support (Fe-N-C) was added into a three-port flask (50 mL) containing DI water (15 mL) and dispersed by ultrasonication for 30 min to form a uniform suspension. H2PtCl6\u00b76H2O (3 mg, Sigma-Aldrich) was dissolved in DI water (0.6 mL) and introduced dropwise to the Fe-N-C suspension. The time interval of two consecutive drops was ~30 s. Volume of each drop was about 0.0125 mL. After stirring for 60 min at room temperature, the suspension was heated to 70 \u00baC for 8 h. After cooling to room temperature, the solid was thoroughly washed and collected by a filtration method, and then dried in a vacuum oven at 40 \u00baC overnight. After a mild heat-treatment at 450 \u00b0C under Ar atmosphere for 2 h, Pt single-atoms grafted Fe-N-C (Pt1@Fe-N-C) catalyst was obtained."
+ },
+ {
+ "id": 162,
+ "sac_id": "Atom: Pt\nSupport Material: Fe-N-C\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Fe-N-C\n\n",
+ "predicted": "Precursor synthesis: 1.2 g of Zn(NO3)2\u00b76H2O and 0.4 g of Fe(acac)3 were dissolved in 50 mL of methanol under magnetic stirring to form a homogeneous solution, which was denoted as solution A. Then, 2.7 g of 2-methylimidazole and 0.18 g of dopamine hydrochloride were dissolved in 100 mL of methanol under vigorous agitation to obtain solution B. Subsequently, solution B was added into solution A with rapid stirring for 12 h at room temperature. After centrifugation, the precipitate was washed with methanol three times and dried overnight at 80 \u00b0C under vacuum.\n\nSynthesis of Fe-N-C/Pt: The Fe-N-C/Pt material was prepared by a one-step electroless deposition method. First, the Fe-N-C precursor was dispersed in 50 mL of deionized water containing 0.05 M H2PtCl6 under vigorous stirring for 12 h at 80 \u00b0C. After that, 50 mL of 0.5 M NaBH4 aqueous solution was injected quickly into the above suspension under vigorous stirring for 1 h. Finally, the product was collected by centrifugation, washed with deionized water, and dried at 80 \u00b0C under vacuum for 12 h.",
+ "ground_truth": "Precursor synthesis: The Fe-N-C catalyst was synthesized according to the reported method. [1,2] Briefly, the mixture of 2-methylimidazole (920 mg, Sigma-Aldrich) and ZnO (400 mg, Sigma-Aldrich) was slightly grinded for 10 min, sealed in an autoclave under Ar atmosphere, and heated in a vacuum oven at 200 \u00b0C for 16 h. The obtained white powder (ZIF-8), 1,10-phenanthroline (\u2265 99%, Aldrich) and iron acetate (95%, Aldrich) were added into a solvent mixture of ethanol and deionized (DI) water (18.3 M \u03a9\u00b7cm, Human Power II + Scholar) (ethanol/water ratio = 1:2) and stirred for 1 h. After drying the slurry, the powder was ball-milled for 3 h under 400 rpm speed. Finally, the Fe-N-C catalyst was obtained after two consequential annealing at 1000 \u00b0C in Ar atmosphere for 60 min and at 900 \u00b0C in NH3 atmosphere for 10 min. The as-prepared Fe-N-C was washed in sulfuric acid (0.5 M) with stirring at room temperature for 6 h to remove soluble impurity, e.g., Fe/Fe3C nanoparticles, and instable active sites. The purified Fe-N-C was collected through filtration, DI water washing, and drying in a vacuum oven at 40 \u00baC for 12 h.\n\nSAC synthesis: Pt1@Fe-N-C catalyst was prepared by an incipient wetness impregnation (IWI) method. Typically, 50 mg support (Fe-N-C) was added into a three-port flask (50 mL) containing DI water (15 mL) and dispersed by ultrasonication for 30 min to form a uniform suspension. H2PtCl6\u00b76H2O (3 mg, Sigma-Aldrich) was dissolved in DI water (0.6 mL) and introduced dropwise to the Fe-N-C suspension. The time interval of two consecutive drops was ~30 s. Volume of each drop was about 0.0125 mL. After stirring for 60 min at room temperature, the suspension was heated to 70 \u00baC for 8 h. After cooling to room temperature, the solid was thoroughly washed and collected by a filtration method, and then dried in a vacuum oven at 40 \u00baC overnight. After a mild heat-treatment at 450 \u00b0C under Ar atmosphere for 2 h, Pt single-atoms grafted Fe-N-C (Pt1@Fe-N-C) catalyst was obtained."
+ }
+ ],
+ "10.1002_aenm.202002896": [
+ {
+ "id": 163,
+ "sac_id": "Atom: Co\nSupport Material: N-doped hollow carbon spheres (N-HCS)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: N-doped hollow carbon spheres (N-HCS)\n\n",
+ "predicted": "Precursor synthesis: 0.5 g glucose, 2 g dicyandiamide, and 1 mL CoCl2\u00b76H2O (4 M) were dissolved in 30 mL deionized water, and the solution was stirred at room temperature until a uniform solution was formed. The resulting solution was quickly frozen by liquid nitrogen and irradiated with a 355 nm light source for 1 h. Subsequently, the sample was freeze-dried to obtain the final product.\nN-HCS + GOx + NAFION: 0.1 g N-HCS, 0.1 g GOx, and 0.9 g NAFION were fully dispersed in 10 mL deionized water and stirred for 12 h. The viscous gel obtained was vacuum dried at 70 \u00b0C for 12 h to form a homogeneous mixture of N-HCS, GOx, and NAFION. The mixture was ground into powder and annealed at 800 \u00b0C under an Ar atmosphere for 2 h to obtain N-HCS/GOx/NAFION. N-HCS/GOx/NAFION + Fe3O4: 10 mL ethanol solution containing 0.1 g FeCl2\u00b74H2O, 0.1 g FeCl3\u00b76H2O, and 0.1 g N-HCS/GOx/NAFION was transferred to a round-bottom flask and refluxed for 12 h. After cooling to room temperature, the black precipitate was collected by centrifugation, washed with ethanol several times, and dried under vacuum at 70 \u00b0C for 12 h to obtain N-HCS/GOx/NAFION/Fe2O3/Fe3O4.",
+ "ground_truth": "Precursor synthesis: 2 g of SiO2 nanospheres were dispersed in 200 mL of deionized water under sonication for 2 h. 650 mg of dopamine hydrochloride, 240 mg of Tris base, and 24 mg of Co(NO3)2\u00b76H2O were added to the solution and stirred at room temperature for 12 h. The suspension was centrifuged and washed with deionized water, followed by freeze-drying. The resultant product was mixed with sulfur pieces (mass ratio: 1:1) and then carbonized under Ar atmosphere at 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C min-1. After washing in 5 m NaOH aqueous solution at 60 \u00b0C for 12 h and subsequent acid leaching, the CoSA/N,S-HCS sample was finally obtained.\nSAC synthesis: Followed the same process as described in the precursor synthesis."
+ },
+ {
+ "id": 164,
+ "sac_id": "Atom: Co\nSupport Material: N and S codoped hollow carbon spheres (N,S-HCS)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: N and S codoped hollow carbon spheres (N,S-HCS)\n\n",
+ "predicted": "Precursor synthesis: 0.8 g of Zn(NO3)2\u00b76H2O and 10 mL of 2-methylimidazole were mixed in 40 mL of methanol under ultrasonic treatment for 5 min to obtain a clear solution A. 0.1 g of thiourea was dissolved in 10 mL of methanol, followed by adding 10 mg of cobalt acetylacetonate. The resulting solution B was added into solution A dropwise with ultrasound. The mixture was then transferred to a 60 \u00b0C water bath for 24 h. After centrifugation, the obtained precipitates were washed with methanol three times and dried at 80 \u00b0C for 12 h.\nS synthesis: The obtained ZIF-8/Co-thiourea was placed in a tube furnace and heated to 900 \u00b0C at a rate of 5 \u00b0C min\u22121 over 1 h and then maintained at this temperature for another hour under flowing argon gas. After cooling to room temperature naturally, the product N,S-HCS-Co was obtained.",
+ "ground_truth": "Precursor synthesis: 2 g of SiO2 nanospheres were dispersed in 200 mL of deionized water under sonication for 2 h. 650 mg of dopamine hydrochloride, 240 mg of Tris base, and 24 mg of Co(NO3)2\u00b76H2O were added to the solution and stirred at room temperature for 12 h. The suspension was centrifuged and washed with deionized water, followed by freeze-drying. The resultant product was mixed with sulfur pieces (mass ratio: 1:1) and then carbonized under Ar atmosphere at 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C min-1. After washing in 5 m NaOH aqueous solution at 60 \u00b0C for 12 h and subsequent acid leaching, the CoSA/N,S-HCS sample was finally obtained.\nSAC synthesis: Followed the same process as described in the precursor synthesis."
+ }
+ ],
+ "10.1002_aenm.202000882": [
+ {
+ "id": 165,
+ "sac_id": "Atom: Ru\nSupport Material: Edge-rich Carbon Matrix (ECM)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ru\nSupport Material: Edge-rich Carbon Matrix (ECM)\n\n",
+ "predicted": "Precursor synthesis: The ECM support was prepared by pyrolyzing a mixed precursor of ZnO and organic molecules. First, 10 g of Zn(CH3COO)2\u00b72H2O was dissolved in 50 mL deionized water at 80 \u00b0C until a clear, transparent solution was formed. Then, 10 mL of formaldehyde solution (37 wt.%) was added to the solution, followed by adding 50 mL of ammonia solution (28 wt.%). After stirring for 6 h, the mixture was heated to 90 \u00b0C to remove excess formaldehyde and water by distillation. Next, the mixture was cooled down to room temperature and diluted with 100 mL of ethanol. Subsequently, the solvent was evaporated at 100 \u00b0C under reduced pressure. The obtained solid was dried overnight at 80 \u00b0C and then transferred into a quartz ampoule under vacuum. Finally, the ampoule was sealed off and heated at 350 \u00b0C for 48 h. The sample was further treated at 550 \u00b0C for 2 h in an argon atmosphere to obtain the ECM support.\n\nMetal incorporation: For the preparation of Ru/ECM electrocatalysts, 100 mg of ECM powder was dispersed in 100 mL of deionized water by sonication. A certain amount of RuCl3\u00b7xH2O (0.05, 0.1, or 0.2 mL, 1 mol L\u22121) was added dropwise to the suspension under vigorous stirring. After continuous stirring for 2 h at room temperature, the mixture was centrifuged and dried at 60 \u00b0C overnight. The obtained product was calcined at 300 \u00b0C for 2 h in an argon atmosphere. Before ORR measurement, the electrolyte-pretreated Ru/ECM electrocatalysts were obtained by treating the electrocatalysts in 0.1 M H2SO4 electrolyte for 10 min.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis of PDA particles, ammonia aqueous solution (NH4OH, 0.75 mL, 28-30%) was mixed with ethanol (40 mL) and deionized water (90 mL) under mild stirring at room temperature for 30 min. Dopamine hydrochloride (0.5 g) was dissolved in deionized water (10 mL) and then injected into the above mixture solution. The color of this solution immediately turned to pale brown and gradually changed to dark brown. The reaction was allowed to proceed for 30 h. The PDA particles were obtained by centrifugation and washed with water for three times.\nSAC synthesis: The as-prepared PDA particles (50 mg) were first mixed with 5 mL of RuCl3 ethanol solution (0.2 mM) in a flask. Then, the flask was connected to the vacuum system and sonicated at 50\u00b0C for 4 h, in which Ru species was located homogeneously on the surface of the particles with weak coordination. CM@Ru was obtained by carbonizing the obtained sample at 800 o C for 2 h in Ar atmosphere at a rate of 5 o C min -1 ."
+ },
+ {
+ "id": 166,
+ "sac_id": "Atom: Ru\nSupport Material: Carbon Matrix (CM)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ru\nSupport Material: Carbon Matrix (CM)\n\n",
+ "predicted": "Precursor synthesis: The MOF precursor of Ru-ZIF was prepared according to the previous report. [1] Typically, Zn(NO3)2\u00b76H2O (0.488 g) and Ru(acac)3 (0.1 g) were dissolved in 50 mL methanol, followed by the addition of 2-methylimidazole solution (0.972 g in 50 mL methanol) under stirring at room temperature for 1 h. After further stirring for 18 h at 60 \u00b0C, the product was collected by centrifugation, washed with methanol several times, and dried at 80 \u00b0C overnight.\nS synthesis: Typically, a mixture of Ru-ZIF and melamine with a mass ratio of 1:1 was annealed at 900 \u00b0C for 2 h under Ar atmosphere with a heating rate of 5 \u00b0C min -1. After cooling down to room temperature naturally, the product was etched in 3.0 M HCl solution for 24 h to remove metal clusters.\nD synthesis: The sample S was further calcined at 900 \u00b0C for 2 h under Ar atmosphere with a heating rate of 5 \u00b0C min -1.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis of PDA particles, ammonia aqueous solution (NH4OH, 0.75 mL, 28-30%) was mixed with ethanol (40 mL) and deionized water (90 mL) under mild stirring at room temperature for 30 min. Dopamine hydrochloride (0.5 g) was dissolved in deionized water (10 mL) and then injected into the above mixture solution. The color of this solution immediately turned to pale brown and gradually changed to dark brown. The reaction was allowed to proceed for 30 h. The PDA particles were obtained by centrifugation and washed with water for three times.\nSAC synthesis: The as-prepared PDA particles (50 mg) were first mixed with 5 mL of RuCl3 ethanol solution (0.2 mM) in a flask. Then, the flask was connected to the vacuum system and sonicated at 50\u00b0C for 4 h, in which Ru species was located homogeneously on the surface of the particles with weak coordination. CM@Ru was obtained by carbonizing the obtained sample at 800 o C for 2 h in Ar atmosphere at a rate of 5 o C min -1 ."
+ }
+ ],
+ "10.1002_anie.202003623": [
+ {
+ "id": 167,
+ "sac_id": "Atom: None\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: None\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\n\n",
+ "predicted": "Precursor synthesis: The carbon nitride nanotubes were prepared by a modified hydrothermal method. In a typical procedure, 0.5 g of melamine and 2 g of oxalic acid dihydrate were dissolved in 15 mL of deionized water under stirring at 80 \u00b0C until a transparent solution was obtained. Then, the above solution was transferred into a Teflon-lined autoclave (50 mL) and heated at 180 \u00b0C for 12 h. After cooling to room temperature naturally, the solid product was separated by centrifugation and then dried at 60 \u00b0C overnight.\n\nPhotocatalyst synthesis: For the preparation of CN-NT/ZnO nanocomposites, 0.1 g of as-prepared CN-NT and 0.3 g of Zn(CH3COO)2\u00b72H2O were dispersed in 15 mL of deionized water, followed by adding 0.4 mL of ethanol solution containing 0.3 M of NaOH. Subsequently, the mixture was stirred at 80 \u00b0C until the solvent evaporated and then transferred into an aluminum oxide crucible for heat treatment in air at 900 \u00b0C for 2 h with a ramping rate of 5 \u00b0C min-1. Finally, the composite samples were ground to powder and denoted as x% CN-NT/ZnO, where x represents the mass percentage of CN-NT to ZnO.\n",
+ "ground_truth": "Precursor synthesis: Urea.\nSAC synthesis: The synthesis procedure of CN-NT was the same as that of HD-Er1/CN-NT except that Er(NO3)3\u00b75H2O was not added."
+ },
+ {
+ "id": 168,
+ "sac_id": "Atom: Ho\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ho\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\n\n",
+ "predicted": "Precursor synthesis: The carbon nitride nanotubes were prepared by a modified hydrothermal method. In a typical procedure, 0.5 g of melamine and 2 g of urea were dissolved in 15 mL of deionized water under ultrasonication for 30 min. Then, the mixture was transferred into a 25 mL Teflon-lined autoclave and heated at 180 \u00b0C for 12 h. After cooling to room temperature, the obtained precipitate was centrifuged and dried at 60 \u00b0C overnight.\n\nSynthesis of Ho/CN-NT: For the preparation of Ho/CN-NT, 0.1 g of as-prepared CN-NT and 0.04 g of H3HoCl6\u00b7xH2O were added into 75 mL of deionized water under ultrasonication for 30 min. The resulting suspension was then stirred at 80 \u00b0C for 4 h and dried using a rotary evaporator (IKA RV 10). Finally, the sample was annealed at 600 \u00b0C for 2 h with a ramp rate of 5 \u00b0C min-1 under Ar flow (10 sccm).",
+ "ground_truth": "Precursor synthesis: Holmium nitrate pentahydrate (Ho(NO3)3\u00b75H2O) and urea.\nSAC synthesis: The synthesis procedure of Ho1/CN-NT was similar to that of HD-Er1/CN-NT except that Er(NO3)3\u00b75H2O was replaced by Ho(NO3)3\u00b75H2O (3.84 mmol). The final product, marked as Ho1/CN-NT, was collected."
+ },
+ {
+ "id": 169,
+ "sac_id": "Atom: Ce\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ce\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\n\n",
+ "predicted": "Precursor synthesis: The carbon nitride nanotubes were prepared by a modified hydrothermal method. In a typical procedure, 0.5 g of melamine and 2 g of urea were dissolved in 15 mL of deionized water under stirring at 70 \u00b0C. Then, 0.4 mL of ammonium fluoride was added to the above solution and stirred for another 10 min. Subsequently, the mixture was transferred into a Teflon-lined autoclave and heated at 180 \u00b0C for 24 h. After cooling to room temperature, the white product was collected by centrifugation and washed with deionized water three times.\n\nSynthesis of Ce3+ doped CN-NT: To prepare Ce3+ doped CN-NT, 0.1 g of as-prepared CN-NT was dispersed in 10 mL of deionized water containing 0.06 mmol of cerium(III) chloride heptahydrate. The suspension was sonicated for 1 h and then stirred vigorously at 80 \u00b0C until dry. The obtained powder was ground with an agate mortar and then subjected to a pyrolysis process at 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C min^-1 under argon atmosphere. The final product was denoted as Ce/CN-NT.",
+ "ground_truth": "Precursor synthesis: Cerium nitrate hexahydrate (Ce(NO3)3\u00b76H2O) and urea.\nSAC synthesis: The synthesis procedure of Ce1/CN-NT was similar to that of HD-Er1/CN-NT except that Er(NO3)3\u00b75H2O was replaced by Ce(NO3)3\u00b76H2O (3.84 mmol). The final product, marked as Ce1/CN-NT, was collected."
+ },
+ {
+ "id": 170,
+ "sac_id": "Atom: Eu\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Eu\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\n\n",
+ "predicted": "Precursor synthesis: Europium(III) nitrate hexahydrate (Eu(NO3)3\u00b76H2O, 99.99%) was purchased from Macklin Reagent Co., Ltd.\nSynthesis of carbon nitride nanotubes (CN-NT): In a typical procedure, 10 g melamine was placed in a porcelain boat and heated at 550 \u00b0C for 4 h with a ramp rate of 2 \u00b0C min -1 in a tube furnace. After cooling to room temperature, the obtained white powder was ground into a fine powder and then washed with deionized water and ethanol for several times to remove impurities on the surface. The obtained solid sample was dried overnight under vacuum conditions at 60 \u00b0C. Subsequently, 1 g of the precursor was mixed with 0.1 g of Eu(NO3)3 \u00b7 6H2O and dispersed in 10 mL of ethanol. Then, the mixture was transferred to a tube furnace and heated at 550 \u00b0C for 4 h with a ramp rate of 2 \u00b0C min -1. After cooling to room temperature, the samples were washed with deionized water and ethanol for several times to remove unreacted metal ions.",
+ "ground_truth": "Precursor synthesis: Europium nitrate hexahydrate (Eu(NO3)3\u00b76H2O) and urea.\nSAC synthesis: The synthesis procedure of Eu1/CN-NT was similar to that of HD-Er1/CN-NT except that Er(NO3)3\u00b75H2O was replaced by Eu(NO3)3\u00b76H2O (3.84 mmol). The final product, marked as Eu1/CN-NT, was collected."
+ },
+ {
+ "id": 171,
+ "sac_id": "Atom: La\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: La\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\n\n",
+ "predicted": "Precursor synthesis: The carbon nitride nanotubes were prepared by a modified hydrothermal method. In a typical procedure, 0.5 g of melamine and 2 g of urea were dissolved in 15 mL of deionized water under stirring at 70 \u00b0C. Then, 0.48 g of cyanamide was added to the solution and continued stirring for another 30 min. Subsequently, the mixture was transferred into a Teflon-lined autoclave and heated at 160 \u00b0C for 12 h. After cooling to room temperature, the white product was centrifuged and washed with deionized water three times and dried at 60 \u00b0C overnight.\n\nSynthesis of LaNiO3/CN-NT: The LaNiO3/CN-NT hybrid nanostructure was fabricated by a two-step process. First, 0.1 g of CN-NT was dispersed in 20 mL of isopropanol under sonication for 30 min. Second, 0.1 mmol of La(NO3)3\u00b76H2O and 0.2 mmol of Ni(NO3)2\u00b76H2O were dissolved in 10 mL of ethylene glycol under magnetic stirring. The mixture was then added dropwise to the CN-NT dispersion, followed by mechanical stirring for 2 h at 60 \u00b0C. Afterwards, the suspension was further stirred at 90 \u00b0C until dry. The obtained solid was annealed at 500 \u00b0C for 2 h with a ramp rate of 5 \u00b0C min-1 in Ar atmosphere. The as-synthesized sample was denoted as LaNiO3/CN-NT.",
+ "ground_truth": "Precursor synthesis: Lanthanum nitrate hexahydrate (La(NO3)3\u00b76H2O) and urea.\nSAC synthesis: The synthesis procedure of La1/CN-NT was similar to that of HD-Er1/CN-NT except that Er(NO3)3\u00b75H2O was replaced by La(NO3)3\u00b76H2O (3.84 mmol). The final product, marked as La1/CN-NT, was collected."
+ },
+ {
+ "id": 172,
+ "sac_id": "Atom: Dy\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Dy\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\n\n",
+ "predicted": "Precursor synthesis: The carbon nitride nanotubes were prepared by a modified hydrothermal method. In a typical procedure, 0.5 g of melamine and 2.5 g of urea were dissolved in 10 mL of deionized water under stirring at 70 \u00b0C. Then, 0.3 mL of ammonium fluoride was added into the above solution and continued stirring for 1 h. The mixture solution was transferred into a Teflon-lined stainless-steel autoclave and heated at 180 \u00b0C for 24 h. After cooling to room temperature, the product was collected by centrifugation and dried at 60 \u00b0C overnight.\nDopant synthesis: The Dy 3+ -ZIF-8 was synthesized using methanol as solvent. In a typical procedure, 5 mmol of Zn(NO3)2\u00b76H2O and 5 mmol of Dy(ACAC)3 were dissolved in 40 mL of methanol under magnetic stirring at room temperature for 30 min. Then, 80 mmol of 2-methylimidazole in 40 mL of methanol was added into the above solution and allowed to react for 24 h without stirring. The obtained product was collected by centrifugation and washed with methanol three times and dried at 60 \u00b0C overnight.\n\nSynthesis of CN-Dy-NTs: A certain amount of pre-prepared Dy 3+ -ZIF-8 was mixed with 10 mL of aqueous suspension containing 0.1 g of CN-NTs under magnetic stirring at room temperature for 12 h. Subsequently, the mixture solution was heated to 100 \u00b0C and kept for 12 h under vacuum condition. After cooling to room temperature, the product was collected by centrifugation and dried at 60 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: Dysprosium nitrate pentahydrate (Dy(NO3)3\u00b75H2O) and urea.\nSAC synthesis: The synthesis procedure of Dy1/CN-NT was similar to that of HD-Er1/CN-NT except that Er(NO3)3\u00b75H2O was replaced by Dy(NO3)3\u00b75H2O (3.84 mmol). The final product, marked as Dy1/CN-NT, was collected."
+ },
+ {
+ "id": 173,
+ "sac_id": "Atom: Nd\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Nd\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, urea (20 g) and Limontar M (2 g) were placed in a porcelain boat and heated at 550 \u00b0C for 4 hours with a heating rate of 5 \u00b0Cmin -1 in static air. The as-obtained powder was then treated with hydrochloric acid (HCl, 2 molL -1 ) for 8 h at room temperature to remove residual metallic sodium. After washing with ultrapure water several times until neutral pH, the powder was dried at 80 \u00b0C overnight.\nCN-NT synthesis: CN-NT was prepared by thermal polymerization of urea in the presence of FeCl3. Urea (9.6 g) and a certain amount of FeCl3 were mixed together and placed in a porcelain boat. It was heated at 550 \u2103 for 4 h with a heating rate of 5 \u2103 min -1 under nitrogen flow. The as-prepared sample was ground and etched with 2 molL -1 HCl for 8 h. After washing with ultrapure water until neutral pH, the product was dried at 80 \u2103 overnight.\nNdx-CNNT synthesis: The samples of Ndx-CNNT (x=0.7%, 1.4%, 2.1%, 2.8%) were prepared by using different amounts of Nd(NO3)3-6H2O (0.01, 0.02, 0.03, 0.04 g). The preparation process is similar to that of CN-NT.\n\nThe support material, carbon nitride nanotubes (CN-NT), was synthesized by the thermal polymerization of urea in the presence of Limontar M. The precursors, urea (20 g) and Limontar M (2 g), were placed in a porcelain boat and heated at 550 \u00b0C for 4 hours with a heating rate of 5 \u00b0C min -1 in a nitrogen flow. After cooling down to room temperature, the as-obtained yellow powder was subjected to acid leaching with 2 molL -1 HCl for 8 hours. This was followed by thorough washing with ultrapure water until neutral pH, and subsequent drying at 80 \u00b0C overnight.\n\nFor the doping of CN-NT with neodymium (Ndx-CNNT), various amounts of Nd(NO3)3-6H2O were used. Specifically, 0.01, 0.02, 0.03, and 0.04 g of Nd(NO3)3-6H2O were employed to obtain samples with doping levels of 0.7%, 1.4%, 2.1%, and 2.8%, respectively. The synthesis procedure remained unchanged, involving the mixing of urea (20 g), Limontar M (2 g), and the specified quantity of Nd(NO3)3-6H2O. The mixture was then heated at 550 \u00b0C for 4 hours with a heating rate of 5 \u00b0C min -1 under nitrogen flow. Post-heating, the sample underwent acid leaching with 2 molL -1 HCl for 8 hours and extensive washing with ultrapure water until neutral pH, followed by drying at 80 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: Neodymium nitrate hexahydrate (Nd(NO3)3\u00b76H2O) and urea.\nSAC synthesis: The synthesis procedure of Nd1/CN-NT was similar to that of HD-Er1/CN-NT except that Er(NO3)3\u00b75H2O was replaced by Nd(NO3)3\u00b76H2O (3.84 mmol). The final product, marked as Nd1/CN-NT, was collected."
+ },
+ {
+ "id": 174,
+ "sac_id": "Atom: Tb\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Tb\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 10 g of melamine was placed in a porcelain boat and annealed at 550 \u00b0C for 4 h with a heating rate of 2.3 \u00b0C min -1 in a muffle furnace. The obtained white powder was ground into fine powder after cooling down to room temperature. Then, 600 mg of the above prepared product and 10 mg of Tb(NO3)3\u00b76H2O were further finely mixed through ball milling for 8 h with a ball-to-powder ratio of 15:1. The mixture was then calcined at 550 \u00b0C for 4 h under Ar atmosphere with a heating rate of 2.3 \u00b0C min -1. After cooling down to room temperature, the final product Tb/CN-NT was collected.",
+ "ground_truth": "Precursor synthesis: Terbium nitrate pentahydrate (Tb(NO3)3\u00b75H2O) and urea.\nSAC synthesis: The synthesis procedure of Tb1/CN-NT was similar to that of HD-Er1/CN-NT except that Er(NO3)3\u00b75H2O was replaced by Tb(NO3)3\u00b75H2O (3.84 mmol). The final product, marked as Tb1/CN-NT, was collected."
+ },
+ {
+ "id": 175,
+ "sac_id": "Atom: Pr\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pr\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\n\n",
+ "predicted": "Precursor synthesis: Carbon nitride nanotubes were prepared according to the previous report. [1] Typically, 20 mL of methanol containing 3 mmol of cobalt acetate tetrahydrate was added into 20 mL of methanol containing 0.96 g of urea and stirred for 5 min. Then, 4 mL of DMF and 0.8 mL of ammonia solution (25 wt%) were added into the mixture followed by vigorous stirring for 1 h. The mixture was transferred into a Teflon lined autoclave with a capacity of 50 mL and then heated at 180 \u00b0C for 10 h. After cooling down to room temperature, the obtained precipitates were collected via centrifugation and further dried overnight in an oven at 70 \u00b0C. Finally, the product was calcined at 500 \u00b0C for 2 h under Ar flow to obtain CN-NT.\n\nPr synthesis: In a typical procedure, 0.1 g of CN-NT was dispersed in 10 mL of ethanol by ultrasonication for 30 min. Subsequently, 0.1 mL of praseodymium chloride hexahydrate solution (Pr = 0.0188 M, 0.0267 M, or 0.0346 M) was dropped into the above solution under ultrasound. The mixed solution was continuously sonicated for 30 min, and then the solvent was removed by rotary evaporation. The obtained solid powder was calcinated at 400 \u00b0C for 2 h under Ar flow to yield Pr/CN-NT samples with different Pr loadings.\n\nThe Pr@Pr/CN-NT sample was prepared as follows: First, 0.1 g of CN-NT was dispersed in 10 mL of ethanol by ultrasonication for 30 min. Then, 0.1 mL of praseodymium chloride hexahydrate solution (Pr = 0.0188 M) and 0.02 mL of neodymium chloride hexahydrate solution (Nd = 0.0376 M) were added into the above solution and stirred for 30 min. After ultrasonic treatment for another 30 min, the solid powder was collected via centrifugation and dried overnight in an oven at 70 \u00b0C. Finally, the product was calcined at 400 \u00b0C for 2 h under Ar flow to obtain the Pr@Pr/CN-NT sample.",
+ "ground_truth": "Precursor synthesis: Praseodymium nitrate hexahydrate (Pr(NO3)3\u00b76H2O) and urea.\nSAC synthesis: The synthesis procedure of Pr1/CN-NT was similar to that of HD-Er1/CN-NT except that Er(NO3)3\u00b75H2O was replaced by Pr(NO3)3\u00b76H2O (3.84 mmol). The final product, marked as Pr1/CN-NT, was collected."
+ },
+ {
+ "id": 176,
+ "sac_id": "Atom: Tm\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Tm\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 10 g of melamine and 2.5 g of L-cysteine were added into 80 mL deionized water with continuous stirring for 3 h to form an homogeneous solution. Then the obtained solution was transferred into a Teflon lined autoclave and heated at 160 \u00b0C for 9 h. After cooling down to room temperature naturally, the obtained solid product was dried in air for overnight and subsequently ground into powder. The final product was collected and marked as CN-NH2. The carbonization process was conducted on a tubular furnace under argon atmosphere. Firstly the sample was heated to 700 \u00b0C with a rate of 3 \u00b0C/min and kept at this temperature for 1 h. Subsequently, the temperature was further increased to 900 \u00b0C with a rate of 2 \u00b0C/min and kept for another hour. After cooling down to ambient temperature, the obtained sample was labeled as CN-NT.\nSynthesis of Tm@CN-NT: Typically, 0.1 g of CN-NT was dispersed in 100 mL of ethanol with ultrasonication for 30 min. Then, 4 mg of TmCl3 was added into the above mixture solution with stirring for 24 h. Afterwards, the mixed solution was centrifuged and washed by deionized water three times and then dried in vacuum at 60 \u00b0C for overnight, the final product was named as Tm@CN-NT.",
+ "ground_truth": "Precursor synthesis: Thulium nitrate pentahydrate (Tm(NO3)3\u00b75H2O) and urea.\nSAC synthesis: The synthesis procedure of Tm1/CN-NT was similar to that of HD-Er1/CN-NT except that Er(NO3)3\u00b75H2O was replaced by Tm(NO3)3\u00b75H2O (3.84 mmol). The final product, marked as Tm1/CN-NT, was collected."
+ },
+ {
+ "id": 177,
+ "sac_id": "Atom: Sm\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Sm\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\n\n",
+ "predicted": "Precursor synthesis: The carbon nitride nanotubes were prepared by a modified hydrothermal method. In a typical procedure, 0.5 g of melamine and 2.5 g of urea were dissolved in 10 mL of deionized water under magnetic stirring at 80 \u00b0C for 30 min. Then, the mixed solution was transferred into a Teflon-lined autoclave with a volume of 20 mL and heated at 180 \u00b0C for 12 h. After cooling to room temperature naturally, the white powder was collected by centrifugation and washed with deionized water three times. Subsequently, the product was dried at 60 \u00b0C overnight and then calcined at 550 \u00b0C for 4 h in a tube furnace with a heating rate of 5 \u00b0C/min under an argon atmosphere.\n\nSynthesis of SmA/CN-NT: To prepare the SmA/CN-NT composite, 0.1 mmol of samarium(III) chloride hexahydrate and 0.1 g of CN-NT were dispersed in 20 mL of ethanol and sonicated for 1 h. The suspension was refluxed at 70 \u00b0C for 12 h. Afterward, the product was separated by centrifugation and washed with deionized water twice and dried at 60 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: Samarium nitrate hexahydrate (Sm(NO3)3\u00b76H2O) and urea.\nSAC synthesis: The synthesis procedure of Sm1/CN-NT was similar to that of HD-Er1/CN-NT except that Er(NO3)3\u00b75H2O was replaced by Sm(NO3)3\u00b76H2O (3.84 mmol). The final product, marked as Sm1/CN-NT, was collected."
+ },
+ {
+ "id": 178,
+ "sac_id": "Atom: Lu\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Lu\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 10 g of melamine was placed in a porcelain boat and annealed at 550 \u00b0C for 4 h with a heating rate of 2.3 \u00b0C min -1 in a tube furnace. After cooling down to room temperature, the yellow powder was collected and further ground into fine powder for next step. The obtained solid was then treated by hydrothermal reaction in refluxing water at 180 \u00b0C for 72 h. After hydrothermal reaction, the samples were taken out and washed with deionized water several times until the pH of the filtrate became neutral. Finally, the samples were dried at 60 \u00b0C overnight without any further post-treatment.\n\nSynthesis of CN-NT/Lu: In a typical procedure, 0.9 g of CN-NS was dispersed in 100 mL of deionized water containing 9 mg of Lu(NO3)3\u00b7xH2O under magnetic stirring for 3 h. Then, the suspension was transferred to a Teflon-lined autoclave and kept at 160 \u00b0C for 12 h. After cooling down to room temperature, the sample was taken out and washed with deionized water several times until the pH became neutral. Subsequently, the sample was dried at 60 \u00b0C overnight without any further post-treatment. Finally, the sample was calcined at 500 \u00b0C for 2 h under nitrogen flow with a heating rate of 2.3 \u00b0C min -1.",
+ "ground_truth": "Precursor synthesis: Lutetium nitrate pentahydrate (Lu(NO3)3\u00b75H2O) and urea.\nSAC synthesis: The synthesis procedure of Lu1/CN-NT was similar to that of HD-Er1/CN-NT except that Er(NO3)3\u00b75H2O was replaced by Lu(NO3)3\u00b75H2O (3.84 mmol). The final product, marked as Lu1/CN-NT, was collected."
+ },
+ {
+ "id": 179,
+ "sac_id": "Atom: Er\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Er\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\n\n",
+ "predicted": "Precursor synthesis: The carbon nitride nanotubes were prepared by a modified hydrothermal method. In a typical procedure, 0.5 g of melamine and 2 g of urea were dissolved in 15 mL of deionized water under stirring at 70 \u00b0C. Then, 0.36 mL of ammonium fluoride was added to the above solution and stirred for another 10 min. Subsequently, the mixture was transferred into a Teflon-lined autoclave and heated at 180 \u00b0C for 24 h. After cooling to room temperature, the white precipitate was collected by centrifugation, washed with deionized water and ethanol three times, and dried at 60 \u00b0C overnight.\n\nER Synthesis: The ER nanosheets were synthesized via an ionothermal method. Typically, 0.1 g of as-prepared CN-NT and 0.1 g of potassium fluoride were mixed evenly by grinding. Then, the obtained powder was placed in a porcelain boat and subjected to thermal treatment at 900 \u00b0C for 2 h under Ar atmosphere with a heating rate of 5 \u00b0C min^\u22121. After cooling to room temperature, the product was collected and washed with deionized water and ethanol three times to remove impurities.",
+ "ground_truth": "Precursor synthesis: Erbium nitrate pentahydrate (Er(NO3)3\u00b75H2O) and urea.\nSAC synthesis: The melamine sponge was cut for the appropriate volume (1.2 cm \u00d7 1.2 cm \u00d7 2 cm) and soaked in the aqueous solution (20 mL) of urea (21.6 g, 0.36 mol) and Er(NO3)3\u00b75H2O (1.77 g, 3.84 mmol), and stirred for 70 min at room temperature until the melamine sponge was completely and homogeneously filled with the mixture solution of urea and Er(NO3)3\u00b75H2O. Then, the saturated sponge was rapidly frozen in a container by the liquid nitrogen and dried by the vacuum freeze-drying machine for 33 h. The as-above sponge was calcined in a tube furnace at 550 \u00b0C for 4 h under the N2 atmosphere. The final product, marked as HD-Er1/CN-NT, was collected."
+ },
+ {
+ "id": 180,
+ "sac_id": "Atom: Yb\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Yb\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, urea (2.4 g) and Limonsis (0.2 g) were added into deionized water (80 mL) under vigorous magnetic stirring at room temperature for 15 min. The resulting milk-like solution was then transferred to a Teflon-lined autoclave (100 mL) and heated at 180 \u00b0C for 9 h. After cooling to room temperature, the solid product was collected by centrifugation and dried in air at 100 \u00b0C for 6 h.\nYb precursor synthesis: Yb(NO3)3\u00b76H2O (0.17 mmol) and Limonsis (0.02 g) were dissolved in deionized water (20 mL). Then, the solution was transferred to a Teflon-lined autoclave (100 mL) and heated at 180 \u00b0C for 9 h. After cooling to room temperature, the solid product was collected by centrifugation and dried in air at 100 \u00b0C for 6 h.\nYb@CN-NT synthesis: As-synthesized Yb(OH)3 nanoplates were loaded into a quartz boat and placed in a tube furnace. The sample was heated to 800 \u00b0C with a rate of 10 \u00b0C min-1 under an Ar flow (100 sccm) and maintained for 2 h. After cooling to room temperature, the solid product was collected and denoted as Yb@CN-NT.",
+ "ground_truth": "Precursor synthesis: Ytterbium nitrate pentahydrate (Yb(NO3)3\u00b75H2O) and urea.\nSAC synthesis: The synthesis procedure of Yb1/CN-NT was similar to that of HD-Er1/CN-NT except that Er(NO3)3\u00b75H2O was replaced by Yb(NO3)3\u00b75H2O (3.84 mmol). The final product, marked as Yb1/CN-NT, was collected."
+ },
+ {
+ "id": 181,
+ "sac_id": "Atom: Gd\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Gd\nSupport Material: Carbon Nitride Nanotubes (CN-NT)\n\n",
+ "predicted": "Precursor synthesis: Guanidine carbonate was used as a precursor for the synthesis of CN-NT. It was dissolved in water and heated at 100 \u00b0C to obtain a clear solution, which was then dried under vacuum conditions. The dried guanidine carbonate powder was calcined at 550 \u00b0C with a ramp rate of 2 \u00b0C min^-1 for 3 h in an argon atmosphere. The obtained CN-NT was grounded into fine powder and immersed in 0.1 M HCl solution for 24 h to remove any impurities or unreacted species. After washing with distilled water several times, the product was dried at 60 \u00b0C overnight.\n\nSynthesis of Gd/CN-NT: A certain amount of GdCl3\u00b76H2O was dissolved in deionized water and sonicated for 30 minutes to form a homogeneous solution. The CN-NT powder was added to this solution and stirred vigorously for 8 hours at room temperature. The mixture was then centrifuged, and the obtained solid was washed thoroughly with distilled water and ethanol. Finally, the sample was dried at 60 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: Gadolinium nitrate hexahydrate (Gd(NO3)3\u00b76H2O) and urea.\nSAC synthesis: The synthesis procedure of Gd1/CN-NT was similar to that of HD-Er1/CN-NT except that Er(NO3)3\u00b75H2O was replaced by Gd(NO3)3\u00b76H2O (3.84 mmol). The final product, marked as Gd1/CN-NT, was collected."
+ }
+ ],
+ "10.1002_aenm.201803689": [
+ {
+ "id": 182,
+ "sac_id": "Atom: W\nSupport Material: Nitrogen-doped graphene (N-doped graphene)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: W\nSupport Material: Nitrogen-doped graphene (N-doped graphene)\n\n",
+ "predicted": "Precursor synthesis: Graphene oxide (GO) was prepared by a modified Hummers method. Melamine (C3H6N6) was purchased from Shanghai Chemical Reagent Factory. Dicyandiamide (C2H4N4) was purchased from Aladdin Biochemical Technology Co., Ltd.\n\nSynthesis of N, P co-doped carbon dots (NP-CDs): 10 mL of tris buffer solution (1 \u00d7 10^-3 M, pH = 8.5) containing 7.92 mM of dicyandiamide and melamine (molar ratio of 1:3) was heated to 100 \u00b0C and then added with 10 mL of tris buffer solution (1 \u00d7 10^-3 M, pH = 8.5) containing 15.84 mM of phytic acid. After reaction for 1 h, the mixture was cooled to room temperature and centrifuged at 10,000 rpm for 10 min. The supernatant was collected and freeze-dried.\n\nPreparation of NP-CDs/W-ZIF-8 composites: 100 mg of zinc nitrate hexahydrate was dissolved in 20 mL of methanol solution. After stirring for 10 min, 20 mL of methanol solution containing 100 mg of 2-methylimidazole was added, and the mixture was reacted at room temperature for 12 h. The resulting product was collected by centrifugation and washed with methanol three times and dried at 60 \u00b0C for 12 h. Then, 50 mg of W-ZIF-8 was added into 20 mL of methanol solution containing 50 mg of NP-CDs and sonicated for 10 min. The mixture was stirred at room temperature for 12 h, collected by centrifugation, and washed with methanol three times, and dried at 60 \u00b0C for 12 h to obtain NP-CDs/W-ZIF-8 composites.\n\nPyrolysis of NP-CDs/W-ZIF-8 composites: 50 mg of NP-CDs/W-ZIF-8 composites was placed in a tube furnace and annealed at 600 \u00b0C for 2 h under Ar gas flow at a rate of 25 mL/min. The resulting products were collected and washed with deionized water three times to remove residual metal particles.",
+ "ground_truth": "Precursor synthesis: GO suspension with 4 mg mL^-1 concentration was prepared from graphite flakes (average particle size of 350 nm) according to the modified Hummers method reported in the previous work.\nSAC synthesis: W-SAC was synthesized by diluting the GO suspension by mixing 2.5 mL of 4 mg mL^-1 GO into 30 mL DI water. Accurately measured 25 \u00b5L of 0.05 m W^6+ solution and 100 \u00b5L acrylamides (25 wt%, as a nitrogen precursors) were added into the diluted GO suspension and stirred for 24 h. The mixed solution was freeze-dried for another 24 h. The brownish freeze-dried sample was annealed in 1 inch quartz tube furnace at 750 \u00b0C for 1 h under Ar (100 s.c.c.m) atmosphere to produce W-SAC. The prepared SAC was then acid leached at 80 \u00b0C for 24 h, followed by heating at 750 \u00b0C for 1 h to regain its crystallinity after washing with DI water."
+ },
+ {
+ "id": 183,
+ "sac_id": "Atom: Co\nSupport Material: Nitrogen-doped graphene (N-doped graphene)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Nitrogen-doped graphene (N-doped graphene)\n\n",
+ "predicted": "Precursor synthesis: Melamine (C3H6N6, 50 g) and L-cysteine (C3H7NO2S, 10 g) were mixed with deionized water (100 mL) and the pH of the resulting mixture was adjusted to ~2 using concentrated HCl (37 wt%, Sinopharm Chemical Reagent Co., Ltd.). The suspension was then treated under ultrasonication for approximately 30 min and subsequently transferred into a Teflon-lined stainless steel autoclave and heated at 180 \u00b0C for 12 h. After cooling to room temperature, the solid product was collected by filtration and vacuum dried at 80 \u00b0C overnight.\n\nSynthesis of N-doped graphene supported CoO2 electrocatalysts (CoO2/NG): A 200 mg quantity of as-prepared NC was dispersed in 400 mL of deionized water containing 2.0 g of Co(NO3)2\u00b76H2O via sonication for 1 h. This slurry was then transferred to a hydrothermal reactor and heated at 90 \u00b0C for 6 h. After cooling to room temperature, the solid product was collected by filtration and vacuum dried at 80 \u00b0C overnight. Finally, the product was heat-treated at 400 \u00b0C for 2 h in a muffle furnace under an Ar atmosphere with a ramping rate of 2 \u00b0C min-1.",
+ "ground_truth": "Precursor synthesis: GO suspension with 4 mg mL^-1 concentration was prepared from graphite flakes (average particle size of 350 nm) according to the modified Hummers method reported in the previous work.\nSAC synthesis: Co-SAC was synthesized by diluting the GO suspension by mixing 2.5 mL of 4 mg mL^-1 GO into 30 mL DI water. Accurately measured 25 \u00b5L of 0.05 m Co^2+ solution and 100 \u00b5L acrylamides (25 wt%, as a nitrogen precursors) were added into the diluted GO suspension and stirred for 24 h. The mixed solution was freeze-dried for another 24 h. The brownish freeze-dried sample was annealed in 1 inch quartz tube furnace at 750 \u00b0C for 1 h under Ar (100 s.c.c.m) atmosphere to produce Co-SAC. The prepared SAC was then acid leached at 80 \u00b0C for 24 h, followed by heating at 750 \u00b0C for 1 h to regain its crystallinity after washing with DI water."
+ },
+ {
+ "id": 184,
+ "sac_id": "Atom: Ni\nSupport Material: Nitrogen-doped graphene (N-doped graphene)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Nitrogen-doped graphene (N-doped graphene)\n\n",
+ "predicted": "Precursor synthesis: Melamine (C3H6N6, 50 g), limitrophe amine (C6H5NH2, 1.48 mL), and formaldehyde solution (37 wt%, 1.41 mL) were mixed in a round-bottom flask with a Ni foam working electrode, Ni foam counter electrode, and graphite rod as the auxiliary electrode. After stirring for 30 min at room temperature, the mixture was transferred to a Teflon-lined stainless steel autoclave and heated at 140 \u00b0C for 2 h. After cooling to room temperature, the product was washed with deionized water and ethanol.\n\nSynthesis of N-doped graphene/Ni composite: The obtained N-containing polymer precursors were placed in a tube furnace and annealed at 900 \u00b0C for 2 h under Ar flow at a rate of 10 \u00b0C min-1. The resulting material was etched in a 3 mol L-1 HCl solution at 60 \u00b0C for 24 h to remove Ni particles. Finally, the samples were washed with deionized water until the pH reached neutral and dried in vacuum overnight, forming N-doped graphene/Ni composites.",
+ "ground_truth": "Precursor synthesis: GO suspension with 4 mg mL^-1 concentration was prepared from graphite flakes (average particle size of 350 nm) according to the modified Hummers method reported in the previous work.\nSAC synthesis: Ni-SAC was synthesized by diluting the GO suspension by mixing 2.5 mL of 4 mg mL^-1 GO into 30 mL DI water. Accurately measured 25 \u00b5L of 0.05 m Ni^2+ solution and 100 \u00b5L acrylamides (25 wt%, as a nitrogen precursors) were added into the diluted GO suspension and stirred for 24 h. The mixed solution was freeze-dried for another 24 h. The brownish freeze-dried sample was annealed in 1 inch quartz tube furnace at 750 \u00b0C for 1 h under Ar (100 s.c.c.m) atmosphere to produce Ni-SAC. The prepared SAC was then acid leached at 80 \u00b0C for 24 h, followed by heating at 750 \u00b0C for 1 h to regain its crystallinity after washing with DI water."
+ }
+ ],
+ "10.1002_adma.201905622": [
+ {
+ "id": 185,
+ "sac_id": "Atom: Co\nSupport Material: Nitrogen-doped hollow carbon nanocubes (NCs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Nitrogen-doped hollow carbon nanocubes (NCs)\n\n",
+ "predicted": "Precursor synthesis: 1.5 g of Zn(NO3)2\u00b76H2O and 0.24 g of CTAB were dissolved in 75 mL of deionized water under magnetic stirring for 15 min at room temperature. Then, a mixture solution containing 8.4 g of 2-methylimidazole and 15 mL of triethylamine was injected into the above precursor solution as soon as it was formed. The reaction lasted for another 12 h under magnetic stirring at room temperature. The obtained samples were centrifuged and washed with water three times, and then dried in a vacuum oven at 60 \u00b0C overnight.\nSynthesis of nitrogen-doped hollow carbon nanocubes (NCs): The powder of ZIF-8 was transferred to a crucible and heated to 900 \u00b0C with a heating rate of 5 \u00b0C/min in a tube furnace filled with Ar gas. After 2 h of pyrolysis, the powder was cooled down to room temperature and collected for further use.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, nickel nitrate hexahydrate (3.48 g) and sodium citrate (4.71 g) were dissolved in 400 mL water to form clear solution A. In the meantime, potassium hexacyanocobaltate (III) (2.66 g) was dissolved into water (200 mL) to form clear solution B. Then, solutions A and B were mixed under magnetic stirring. Stirring was stopped after combining the component solutions. After 24 h, the solid was collected by centrifugation, washed with water and ethanol, and then dried at room temperature. The N-doped carbon was obtained by calcining ZIF-8 at 500 \u00b0C for 2 h under NH3. The ZIF-8 was prepared by mixing 2-methylimidazole (1.3 g) and zinc nitrate hexahydrate (1.2 g) in 30 mL methanol under stirring for 1 h at room temperature. The solution was transferred into a 100 ml Teflon-lined stainless-steel autoclave and heated at 120 \u00b0C for 4 h. After washing by DMF and methanol and then drying, ZIF-8 was finally obtained, and then calcined to form nitrogen-doped carbon.\nSAC synthesis: CoNi-MOFs powder (0.1 g) and dopamine (DA 0.01g) were dispersed into a Tris-buffer solution (100 mL, 10 mM) with magnetic stirring for 6 h. The resultant product was collected via centrifugation and washed three times with deionized water and ethanol, respectively, and dried at 70 \u00b0C overnight. Then, the dried sample was annealed at 500 \u00b0C in NH3 for 1 h with a slow heating rate of 2 \u00b0C min-1, and immersed in 5 M H2SO4 solution and stirred at 80 \u00b0C for 24 h to form CoNi-SAs/NC hollow cubes."
+ },
+ {
+ "id": 186,
+ "sac_id": "Atom: Ni\nSupport Material: Nitrogen-doped hollow carbon nanocubes (NCs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Nitrogen-doped hollow carbon nanocubes (NCs)\n\n",
+ "predicted": "Precursor synthesis: 1.5 g of NaCl was added into 30 mL of aqueous solution containing 2.4 g of dopamine hydrochloride, and the mixture was stirred at room temperature for 8 h to complete the polymerization process. The as-obtained NCs were thoroughly washed with deionized water and ethanol to remove sodium chloride.\nCNs pre-oxidation: 100 mg CNs was dispersed in 50 mL H2SO4 and heated at 70 \u00b0C for 6 h. The product was centrifuged and washed with deionized water until neutral pH, then dried under vacuum at 70 \u00b0C for overnight.\nNi-N2C2/NCs synthesis: A mixture of 100 mg pre-oxidized NCs powder, 100 mg melamine, and 20 mL DMF was ultrasonically treated for 30 min at room temperature. Then, 2 mL of Ni(NO3)2\u00b76H2O aqueous solution (10 mg mL\u22121) was added dropwise into the above suspension under stirring. After continuous stirring for another 30 min, the suspension was transferred into a Teflon-lined autoclave and sealed before being heated at 180 \u00b0C for 12 h. Finally, the as-prepared products were collected by centrifugation and washed several times with ethanol and distilled water, followed by drying at 70 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, nickel nitrate hexahydrate (3.48 g) and sodium citrate (4.71 g) were dissolved in 400 mL water to form clear solution A. In the meantime, potassium hexacyanocobaltate (III) (2.66 g) was dissolved into water (200 mL) to form clear solution B. Then, solutions A and B were mixed under magnetic stirring. Stirring was stopped after combining the component solutions. After 24 h, the solid was collected by centrifugation, washed with water and ethanol, and then dried at room temperature. The N-doped carbon was obtained by calcining ZIF-8 at 500 \u00b0C for 2 h under NH3. The ZIF-8 was prepared by mixing 2-methylimidazole (1.3 g) and zinc nitrate hexahydrate (1.2 g) in 30 mL methanol under stirring for 1 h at room temperature. The solution was transferred into a 100 ml Teflon-lined stainless-steel autoclave and heated at 120 \u00b0C for 4 h. After washing by DMF and methanol and then drying, ZIF-8 was finally obtained, and then calcined to form nitrogen-doped carbon.\nSAC synthesis: CoNi-MOFs powder (0.1 g) and dopamine (DA 0.01g) were dispersed into a Tris-buffer solution (100 mL, 10 mM) with magnetic stirring for 6 h. The resultant product was collected via centrifugation and washed three times with deionized water and ethanol, respectively, and dried at 70 \u00b0C overnight. Then, the dried sample was annealed at 500 \u00b0C in NH3 for 1 h with a slow heating rate of 2 \u00b0C min-1, and immersed in 5 M H2SO4 solution and stirred at 80 \u00b0C for 24 h to form CoNi-SAs/NC hollow cubes."
+ }
+ ],
+ "10.1002_cctc.201901712": [
+ {
+ "id": 187,
+ "sac_id": "Atom: Ag\nSupport Material: Co3O4-polyhedron\nSynthesis Method: High temperature\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ag\nSupport Material: Co3O4-polyhedron\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 2.0 mmol of cobalt acetylacetonate (Co(acac)2) was first dissolved in 25 mL of absolute ethanol under magnetic stirring at room temperature. Then, 10 mL of deionized water was added to the above solution followed by the addition of 0.02 mol of urea. After stirring for 5 min, 0.8 mL of ammonia (25 wt.%) was dropped into the solution and stirred continuously for another 1 h. Subsequently, the mixture was transferred to a 50 mL Teflon-lined stainless steel autoclave and heated at 160 \u00b0C for 12 h. After cooling to room temperature, the product was collected by centrifugation, washed with absolute ethanol and deionized water several times, and dried at 70 \u00b0C overnight.\n\nSynthesis of Ag/Co3O4-polyhedron: The Ag/Co3O4-polyhedron was prepared by a facile one-pot hydrothermal method. Typically, 0.02 g of Co(acac)2, 0.002 g of urea, 0.002 g of CoSO4\u00b77H2O, 0.002 g of CoCl2\u00b76H2O, 0.002 g of Na2CO3, 0.002 g of NaHCO3, 0.002 g of NaCl, 0.002 g of NaBr, 0.002 g of NaI, 0.002 g of Co(NO3)2\u00b76H2O, 0.002 g of NaIO3, 0.002 g of NaCO3, 0.002 g of Na2SO4, 0.002 g of Na2MoO4\u00b72H2O, 0.002 g of Na3VO4\u00b720H2O, 0.002 g of NaF, 0.002 g of NaClO4, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO",
+ "ground_truth": "Precursor synthesis: The synthesis methods for Co3O4-cube and Co3O4-octahedron were adapted from reference of [Phys. Chem. Chem. Phys. 2015, 17 (43), 29387-93].\nSAC synthesis: Catalysts with 10 wt% Ag loading were prepared and pretreated using the identical procedure as described for Ag/Co3O4-polyhedron."
+ },
+ {
+ "id": 188,
+ "sac_id": "Atom: Ag\nSupport Material: Co3O4-polyhedron\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ag\nSupport Material: Co3O4-polyhedron\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 2.0 mmol of cobalt acetylacetonate (Co(acac)2) was first dissolved in 25 mL of absolute ethanol under magnetic stirring at room temperature. Then, 10 mL of deionized water was added to the above solution followed by the addition of 0.02 mol of urea. After stirring for 5 min, 0.8 mL of ammonia (25 wt.%) was dropped into the solution and stirred continuously for another 1 h. Subsequently, the mixture was transferred to a 50 mL Teflon-lined stainless steel autoclave and heated at 160 \u00b0C for 12 h. After cooling to room temperature, the product was collected by centrifugation, washed with absolute ethanol and deionized water several times, and dried at 70 \u00b0C overnight.\n\nSynthesis of Ag/Co3O4-polyhedron: The Ag/Co3O4-polyhedron was prepared by a facile one-pot hydrothermal method. Typically, 0.02 g of Co(acac)2, 0.002 g of urea, 0.002 g of CoSO4\u00b77H2O, 0.002 g of CoCl2\u00b76H2O, 0.002 g of Na2CO3, 0.002 g of NaHCO3, 0.002 g of NaCl, 0.002 g of NaBr, 0.002 g of NaI, 0.002 g of Co(NO3)2\u00b76H2O, 0.002 g of NaIO3, 0.002 g of NaCO3, 0.002 g of Na2SO4, 0.002 g of Na2MoO4\u00b72H2O, 0.002 g of Na3VO4\u00b720H2O, 0.002 g of NaF, 0.002 g of NaClO4, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO2, 0.002 g of NaClO, 0.002 g of NaClO3, 0.002 g of NaClO",
+ "ground_truth": "Precursor synthesis: The synthesis methods for Co3O4-cube and Co3O4-octahedron were adapted from reference of [Phys. Chem. Chem. Phys. 2015, 17 (43), 29387-93].\nSAC synthesis: Catalysts with 10 wt% Ag loading were prepared and pretreated using the identical procedure as described for Ag/Co3O4-polyhedron."
+ },
+ {
+ "id": 189,
+ "sac_id": "Atom: Ag\nSupport Material: Co3O4-cube\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ag\nSupport Material: Co3O4-cube\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 2.0 mmol of Co(NO3)2\u00b76H2O and 15 mmol of NaOH were dispersed in 80 mL of deionized water under stirring for 15 min. Then the mixture was transferred to a 100 mL Teflon-lined autoclave and heated at 170 \u00b0C for 12 h. After cooling to room temperature naturally, the precipitates were collected by centrifugation at 9000 rpm for 5 min and dried at 60 \u00b0C overnight. Finally, the as-obtained sample was annealed at 300 \u00b0C for 2h in air to obtain Co3O4 cube.\n\nAgNPs decoration on Co3O4 cube: The fabrication process is similar to that of Co3O4-cube/AgNPs-sphere. Briefly, 0.1 g of Co3O4 cube was dispersed in 20 mL of deionized water with ultrasonic treatment for 10 min. Then 0.01 M of NaOH solution was added into the above suspension followed by stirring for 15 min. Subsequently, 1 mL of AgNO3 (1 mg mL -1 ) solution was added dropwise into the above suspension under stirring for 1 h. Finally, the as-prepared sample was collected by centrifugation at 9000 rpm for 5 min and washed three times with deionized water and dried at 60 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: The synthesis methods for Co3O4-cube and Co3O4-octahedron were adapted from reference of [Phys. Chem. Chem. Phys. 2015, 17 (43), 29387-93].\nSAC synthesis: Catalysts with 10 wt% Ag loading were prepared and pretreated using the identical procedure as described for Ag/Co3O4-polyhedron."
+ },
+ {
+ "id": 190,
+ "sac_id": "Atom: Ag\nSupport Material: Co3O4-octahedron\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ag\nSupport Material: Co3O4-octahedron\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 2.0 mmol of cobalt acetylacetonate (Co(acac)2) was first dissolved in 15 mL of absolute ethanol. Then, the solution was added dropwise into 15 mL of absolute ethanol with 6.0 mmol of trisodium citrate (Na3C6H5O7\u00b72H2O, \u2265 98%) under vigorous stirring. After stirring for another 1 h, the mixture was transferred to a 50 mL Teflon-lined stainless steel autoclave and maintained at 180 \u00b0C for 6 h. After naturally cooling down to room temperature, the obtained solid product was washed several times by distilled water and absolute ethanol, respectively. Finally, the sample was dried at 60 \u00b0C overnight to obtain the Co3O4 octahedrons.\n\nElectrodeposition: The electrochemical depositions of Ag on Co3O4-octahedron were carried out using a three-electrode system (CHI 660E, Shanghai CH Instruments). A piece of Co3O4-octahedron (1 cm \u00d7 2 cm), carbon paper (CP, 1 cm \u00d7 2 cm), and Ag/AgCl electrode (1 cm \u00d7 2 cm) were used as working electrode (WE), counter electrode (CE), and reference electrode (RE), respectively. The electrolyte is 0.1 M Na2SO3 solution. The electrodeposition process was performed by linear sweep voltammetry from 0.0 V to -0.6 V vs RE at a scan rate of 5 mV s-1 for 10 cycles. During the electrodeposition, the electrolyte was replaced by a new one after each cycle. The obtained products were washed with absolute ethanol and dried at 60 \u00b0C overnight before characterization.",
+ "ground_truth": "Precursor synthesis: The synthesis methods for Co3O4-cube and Co3O4-octahedron were adapted from reference of [Phys. Chem. Chem. Phys. 2015, 17 (43), 29387-93].\nSAC synthesis: Catalysts with 10 wt% Ag loading were prepared and pretreated using the identical procedure as described for Ag/Co3O4-polyhedron."
+ }
+ ],
+ "10.1002_cctc.201800362": [
+ {
+ "id": 191,
+ "sac_id": "Atom: Pd\nSupport Material: Fe3O4\nSynthesis Method: Solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: Fe3O4\n\n",
+ "predicted": "Precursor synthesis: 5.2 mg of palladium nitrate (Pd(NO3)2) was dispersed in 1 mL of ethylene glycol and mixed with 0.8 mL of oleylamine, followed by heating at 270 \u00b0C for 3 h under an Ar atmosphere to obtain Pd nanoparticles. Then, the product was collected by centrifugation and washed three times with cyclohexane. The obtained Pd nanoparticles were redispersed in cyclohexane and mixed with 100 \u03bcL of tetramethylcyclotetrasiloxane (TMCT). The mixture was ultrasonicated for 30 min before being injected into a chemical vapor deposition system. The TMCT-dispersed Pd nanoparticles were then thermally decomposed on top of a magnetron-sputtered Fe3O4 thin film (100 nm) pre-heated to 600 \u00b0C under vacuum conditions. After cooling down to room temperature, the as-obtained sample was subjected to sputtering coating and scanning electron microscopy (SEM) imaging.\n\nSAC synthesis: The SAC process was performed using a custom-built CVD reactor connected to a gas panel. In this setup, the precursors (Pd(CO)2(acac)) were placed inside a quartz tube that was heated up to 600 \u00b0C via a cartridge heater. A constant flow of argon (Ar) gas was maintained throughout the process to ensure uniform distribution of the precursors within the reactor. A small amount of oxygen (O2) was introduced to promote the decomposition of Pd(CO)2(acac), leading to the formation of Pd nanoparticles which subsequently deposited onto the surface of the Fe3O4 thin film. The entire process was monitored in real-time through a window in the reactor housing, allowing for adjustments if necessary. Once completed, the sample was cooled down to ambient temperature before undergoing characterization.",
+ "ground_truth": "Precursor synthesis: Fe3O4 nanoparticles (400 mg) were sonicated in 15 ml of methanol for 30 min. A dopPPh2 solution in methanol (400 mg in 15 ml) was added to the suspension and the mixture was sonicated for 2 h. After this time, the suspension was isolated, washed several times with methanol and dried under vacuum for 1 h.\nSAC synthesis: K2PdCl4 were added to a suspension of Fe3O4dopPPh2 nanoparticles (100 mg) in 12 ml of water and the mixture was magnetically stirred for 2 h. The nanoparticles were isolated, washed several times with water and acetone and dried under vacuum for 1 h. The resulting nanoparticles were sonicated in 11 ml of water for 30 min. Then a solution of 2.6 mg of NaBH4 in 1 ml of water was added and the mixture was magnetically stirred for 2 h. The resulting nanoparticles were extracted, washed with water and acetone and dried under reduced pressure for 1 h. In order to obtain nanoparticles containing 0.11 w% (0.1Pd/Fe3O4) and 0.38 w% of palladium (0.4Pd/Fe3O4), 0.5 mg (1.5 \u03bcmol) and 1.4 mg (4.2 \u03bcmol) of K2PdCl4 were added in a single step, respectively. For the nanoparticles with 3.0 w% Pd (3Pd/Fe3O4), 3.9 mg (12 \u00b5mol) of K2PdCl4 were added in three steps following exactly the same method outlined above. The catalysts contained 0.01-0.05 wt% Na and K (measured by ICP) originating from the preparation method employed."
+ }
+ ],
+ "10.1002_anie.201607885": [
+ {
+ "id": 192,
+ "sac_id": "Atom: Rh\nSupport Material: ZnO nanowires (ZnO-nw)\nSynthesis Method: Solution phase\nCatalysis Type: Organic\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Rh\nSupport Material: ZnO nanowires (ZnO-nw)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 1.5 g of Zn(CH3COO)2\u00b72H2O was dissolved in 40 mL deionized water to form a clear solution. Then 15 mL aqueous solution containing 0.75 g NaOH and 0.15 g NaNO3 was added dropwise into the above solution under magnetic stirring. After stirring for another 30 min, the mixed solution was transferred into a 50 mL Teflon-lined autoclave, sealed and heated at 160 \u00b0C for 8 h. After cooling to room temperature naturally, the obtained solid product was separated by centrifugation with deionized water for several times and dried at 60 \u00b0C overnight, obtaining white powder. Finally, the white powder was calcined at 500 \u00b0C for 2 h to obtain ZnO nanowires.\n\nSynthesis of Rh/ZnO catalysts: The Rh/ZnO catalysts were prepared by the wet impregnation method. Briefly, desired amount of RhCl3 was dissolved in 10 mL of deionized water to prepare a Rh solution. Then 200 mg of ZnO nanowires was suspended into the Rh solution under magnetic stirring for 12 h. After that, the mixture was dried at 60 \u00b0C for 6 h in an oven, followed by heating at 400 \u00b0C for 2 h in air. The obtained sample was labeled as Rh x/ZnO, where x represents the weight percent of Rh to ZnO in the catalyst.",
+ "ground_truth": "Precursor synthesis: Catalyst precursor rhodium chloride hydrate (RhCl3\u00b73H2O) (\u223c38% Rh) was purchased from Sigma-Aldrich. ZnO nanowires were purchased from Nanjing XFNANO Materials Tech Co., Ltd, and used without further purification.\nSAC synthesis: All catalysts were prepared by a facile adsorption method. Typically, 0.2 g of ZnO nanowire was dispersed into 15 mL of deionized water and the suspension was stirred at room temperature for 20 min. Then, 5 mL aqueous RhCl3\u00b73H2O solution with appropriate concentration was dropwise added (1 mL/min) to the suspension. After stirring for 3 h and aging for 1 h, the resulting precipitate was filtered and washed, then dried at 333 K overnight without any further heat treatment. Before reaction test and characterization measurements (except for in situ measurements) the samples were pre-reduced in 20 vol% H2/He at 473 K for 0.5 h. For comparison, samples with three different Rh weight loading amounts (0.3%, 0.03%, and 0.006%) were prepared and the corresponding catalysts were denoted as 0.3%Rh/ZnO-nw, 0.03%Rh1/ZnO-nw, and 0.006%Rh1/ZnO-nw depending on their metal loading and existing state, respectively."
+ }
+ ],
+ "10.1002_smll.201704282": [
+ {
+ "id": 193,
+ "sac_id": "Atom: Fe\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,3-dicyanobenzene, anhydrous FeCl2, and amino acids were used as precursors.\n\nSynthesis of ZnFe-N-C: The synthesis procedure was similar to that of Fe/N-C, but with the addition of ZnCl2 as the second metal source.\n\nNitrogen Adsorption-Desorption Measurement: The specific surface area of the samples was determined by nitrogen adsorption-desorption isotherms at 77 K using a Micromeritics ASAP 2020 instrument.",
+ "ground_truth": "Precursor synthesis: Typically, zinc nitrate hexahydrate (2.38 g, 8 mmol) and ferrocene (0.465 g, 2.5 mmol) were dissolved in methanol (60 mL), which was poured into methanol (30 mL) with 2-methylimidazole (2.628 g, 30 mmol) dissolved. After being stirred for 10 h at room temperature, Fc@ZIF-8 was centrifugated, washed thoroughly with methanol, and dried at 70 \u00b0C under vacuum. The synthesis of ZIF-8 was the same except that no ferrocene was used. All the chemicals were A.R. grade and used without any further purification from Beijing Chemical Co. Ltd.\nSAC synthesis: Fc@ZIF-8 or ZIF-8 power was transferred into a ceramic boat, placed in a tube furnace, heated to 900 \u00b0C for 2h with a heating rate of 5 \u00b0C min-1 under H2/Ar (10%:90%) and naturally cooled to room temperature. The resultant powder was then washed in 0.5 mol L-1 sulfuric acid at 80 \u00b0C for 10 h to remove unstable species and heated to 900 \u00b0C for 2h with a heating rate of 5 \u00b0C min-1 under H2/Ar (10%:90%) and naturally cooled to room temperature."
+ }
+ ],
+ "10.1002_anie.201912367": [
+ {
+ "id": 194,
+ "sac_id": "Atom: Rh\nSupport Material: S-1 (Silicalite-1)\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Rh\nSupport Material: S-1 (Silicalite-1)\n\n",
+ "predicted": "Precursor synthesis: The silica source was Ludox AS-40 silica sol (38 wt%, Alcoa) and the structure directing agent was tetraethylorthosilicate (TEOS, 99.99% purity, Alfa Aesar). Tetrabutylammonium bromide (TBABr, 95% purity, Acros Organics) was used as a template for the zeolite synthesis. Hydrofluoric acid solution (40 wt%, Electron Microscopy Sciences) was used to open up the zeolite channels.\n\nSynthesis of S-1: The zeolite S-1 samples were prepared by hydrothermal crystallization of a gel composition of 20 SiO2, 1 TBABr, and 0.6 TEOS in aqueous solution at 170 \u00b0C for 4 days. After crystallization, the solid products were separated by centrifugation, washed with distilled water several times until the supernatant became neutral, and dried at 100 \u00b0C overnight. The final samples were calcined in flow air at 550 \u00b0C for 6 h to remove the organic templates.",
+ "ground_truth": "Precursor synthesis: [Rh(NH2CH2CH2NH2)3]Cl3 solution (0.09 M) was first prepared by dissolving 0.24 g of RhCl3\u00b73H2O into 10 mL of an aqueous solution containing 1 mL of ethylenediamine.\nSAC synthesis: The Rh@S-1-H and Rh@S-1-C with different Rh loadings were synthesized by the ratio composition of SiO2: TPAOH: H2O: [Rh(NH2CH2CH2NH2)3]Cl3 = 1: 0.4: 35: x (x= 2.25\u00d710^-3, 3.4\u00d710^-3, 4.5\u00d710^-3, and 6.75 \u00d710^-3) under hydrothermal conditions at 170 \u00b0C for 3 days. Typically, 13 g of TPAOH solution was mixed with 15 g of DI water, and then a suitable amount of [Rh(NH2CH2CH2NH2)3]Cl3 solutions (0.09 M) was added into the mixture. After stirring for 10 min, 8.32 g of TEOS was added. The mixture was then stirred continuously for 6 h. The obtained clear solution was transferred into a 100 mL Teflon-lined stainless steel autoclave and crystallized at 170 \u00b0C for 3 days under static conditions. The solid product was then collected by the centrifugation and washed with water several times, and then dried at 80 \u00b0C in the oven. Finally, the as-synthesized samples were treated via two methods: (1) 1 g of sample was calcinated in air at 550 \u00b0C for 6 h and then reduced in H2 at 400 \u00b0C for 2 h (named as Rh@S-1-C) (2) 1 g of sample was directly reduced in pure H2 flow (60 mL/min) with linear heating to 500 \u00b0C for 2 h and then holding for 2 h (keeping the H2 flow of 60 mL/min) (named as Rh@S-1-H)."
+ },
+ {
+ "id": 195,
+ "sac_id": "Atom: Rh\nSupport Material: ZSM-5 (Aluminosilicate ZSM-5)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Rh\nSupport Material: ZSM-5 (Aluminosilicate ZSM-5)\n\n",
+ "predicted": "Precursor synthesis: The Al-ZSM-5 zeolite was prepared by a hydrothermal method. Typically, 1.2 g of tetraethylammonium hydroxide (TEAOH, 35 wt%) was added into the reaction system instead of 0.6 g of NaOH. The crystallization conditions remained unchanged.\n\nCatalytic evaluation: The catalytic performances of the catalysts were evaluated in a fixed fluidized bed reactor with a quartz microreactor. The catalysts were reduced at 400 \u00b0C for 8 h under a flow rate of H2 (100 mL/min). Then, the catalysts were cooled to room temperature and transferred to N2. After that, the reactor was pressurized to 1 MPa with pure CO2, followed by continuous stirring for 30 min. Finally, the pressure was released, and the reactor was heated to 170 \u00b0C.",
+ "ground_truth": "Precursor synthesis: [Rh(NH2CH2CH2NH2)3]Cl3 solution (0.09 M) was first prepared by dissolving 0.24 g of RhCl3\u00b73H2O into 10 mL of an aqueous solution containing 1 mL of ethylenediamine.\nSAC synthesis: The Rh@S-1-H and Rh@S-1-C with different Rh loadings were synthesized by the ratio composition of SiO2: TPAOH: H2O: [Rh(NH2CH2CH2NH2)3]Cl3 = 1: 0.4: 35: x (x= 2.25\u00d710^-3, 3.4\u00d710^-3, 4.5\u00d710^-3, and 6.75 \u00d710^-3) under hydrothermal conditions at 170 \u00b0C for 3 days. Typically, 13 g of TPAOH solution was mixed with 15 g of DI water, and then a suitable amount of [Rh(NH2CH2CH2NH2)3]Cl3 solutions (0.09 M) was added into the mixture. After stirring for 10 min, 8.32 g of TEOS was added. The mixture was then stirred continuously for 6 h. The obtained clear solution was transferred into a 100 mL Teflon-lined stainless steel autoclave and crystallized at 170 \u00b0C for 3 days under static conditions. The solid product was then collected by the centrifugation and washed with water several times, and then dried at 80 \u00b0C in the oven. Finally, the as-synthesized samples were treated via two methods: (1) 1 g of sample was calcinated in air at 550 \u00b0C for 6 h and then reduced in H2 at 400 \u00b0C for 2 h (named as Rh@S-1-C) (2) 1 g of sample was directly reduced in pure H2 flow (60 mL/min) with linear heating to 500 \u00b0C for 2 h and then holding for 2 h (keeping the H2 flow of 60 mL/min) (named as Rh@S-1-H)."
+ },
+ {
+ "id": 196,
+ "sac_id": "Atom: Rh\nSupport Material: S-1 (Silicalite-1)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Rh\nSupport Material: S-1 (Silicalite-1)\n\n",
+ "predicted": "Precursor synthesis: The silica source was Ludox AS-40 silica sol (38 wt%, Alcoa) and the structure directing agent was tetraethylorthosilicate (TEOS, 99.99% purity, Alfa Aesar). Tetrabutylammonium bromide (TBABr, 95% purity, Acros Organics) was used as a template for the zeolite synthesis. Hydrofluoric acid solution (40 wt%, Electron Microscopy Sciences) was used to open up the zeolite channels.\n\nSynthesis of S-1: The zeolite S-1 samples were prepared by hydrothermal crystallization of a gel composition of 20 SiO2, 1 TBABr, and 0.6 TEOS in aqueous solution at 170 \u00b0C for 4 days. After crystallization, the solid products were separated by centrifugation, washed with distilled water several times until the supernatant became neutral, and dried at 100 \u00b0C overnight. The final samples were calcined in flow air at 550 \u00b0C for 6 h to remove the organic templates.",
+ "ground_truth": "Precursor synthesis: [Rh(NH2CH2CH2NH2)3]Cl3 solution (0.09 M) was first prepared by dissolving 0.24 g of RhCl3\u00b73H2O into 10 mL of an aqueous solution containing 1 mL of ethylenediamine.\nSAC synthesis: The Rh@S-1-H and Rh@S-1-C with different Rh loadings were synthesized by the ratio composition of SiO2: TPAOH: H2O: [Rh(NH2CH2CH2NH2)3]Cl3 = 1: 0.4: 35: x (x= 2.25\u00d710^-3, 3.4\u00d710^-3, 4.5\u00d710^-3, and 6.75 \u00d710^-3) under hydrothermal conditions at 170 \u00b0C for 3 days. Typically, 13 g of TPAOH solution was mixed with 15 g of DI water, and then a suitable amount of [Rh(NH2CH2CH2NH2)3]Cl3 solutions (0.09 M) was added into the mixture. After stirring for 10 min, 8.32 g of TEOS was added. The mixture was then stirred continuously for 6 h. The obtained clear solution was transferred into a 100 mL Teflon-lined stainless steel autoclave and crystallized at 170 \u00b0C for 3 days under static conditions. The solid product was then collected by the centrifugation and washed with water several times, and then dried at 80 \u00b0C in the oven. Finally, the as-synthesized samples were treated via two methods: (1) 1 g of sample was calcinated in air at 550 \u00b0C for 6 h and then reduced in H2 at 400 \u00b0C for 2 h (named as Rh@S-1-C) (2) 1 g of sample was directly reduced in pure H2 flow (60 mL/min) with linear heating to 500 \u00b0C for 2 h and then holding for 2 h (keeping the H2 flow of 60 mL/min) (named as Rh@S-1-H)."
+ }
+ ],
+ "10.1002_adma.202002430": [
+ {
+ "id": 197,
+ "sac_id": "Atom: Fe\nSupport Material: N-doped porous carbon polyhedrons (Fe1NC/SX-Y, where X represents particle size and Y represents pyrolysis temperature)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: N-doped porous carbon polyhedrons (Fe1NC/SX-Y, where X represents particle size and Y represents pyrolysis temperature)\n\n",
+ "predicted": "Precursor synthesis: 0.5 g silica gel, 2 mmol FeCl3\u00b76H2O, and 4 mmol Zn(NO3)2\u00b76H2O were dissolved in 80 mL ethanol and vigorously stirred for 1 h to obtain a homogeneous solution. The mixture was then transferred into a Teflon-lined stainless steel autoclave and heated at 140 \u00b0C for 4 h. The products were separated by centrifugation, washed with ethanol several times, and dried under vacuum at 70 \u00b0C for 12 h.\n\nSynthesis of SiO2 template: 10 g Catalyst: 0.5 g as-synthesized Fe-ZIF-8 precursor, 10 g SiO2 nanoparticles, and 0.9 g 1,10-phenanthroline were dispersed in 100 mL ethanol and stirred for 12 h at room temperature. After centrifugation, the obtained product was thoroughly washed with water and ethanol, and then dried under vacuum at 70 \u00b0C for 12 h. Finally, the dried sample was placed in a corundum crucible and calcined at 1100 \u00b0C for 2 h with a heating rate of 5 \u00b0C min-1 in a tube furnace filled with Ar gas. After cooling down to room temperature, the final product was etched in 1 M HCl solution for 24 h to remove the SiO2 template and unstable species.\n\nDrying and Calcination: The as-prepared samples were dried in a tube furnace at 1100 \u00b0C for 2 h with a heating rate of 5 \u00b0C min-1 in a tube furnace filled with Ar gas.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, a series of ZIF-8 with different crystal sizes were synthesized by controlling concentrations of the metal precursors and organic ligands in a methanol solution. Various amounts of methanol solution based on its molar ratio to Zn2+ at 98.82:1, 197.63:1, 395.26:1, and 1482.23:1 were used, and the molar ratio between Zn(NO3)2\u00b76H2O and 2-MIM kept constant at 1:3.97 to prepare ZIF-8 crystals with different particle sizes of 400, 200, 100, and 50 nm, respectively. Specifically, 5.58 g of Zn(NO3)\u00b76H2O and 6.12 g of 2-MIM were respectively dissolved in 300 mL methanol by stirring and ultrasound for 10 min to obtain solution A and solution B. Next, the obtained solution A was simultaneously added into solution B and kept under ultrasonication (100 W, KQ2200B/KunShan Ultrasonic Instruments Co., Ltd.) for 10 min, and then put the mixed solution into an oven at 35 \u2103 for 12 h. Finally, the resultant ZIF-8 products were centrifuged and washed several times with methanol, then dried in a vacuum oven for overnight and collected for subsequent testing.\nSAC synthesis: A certain amount of ferrocene and 200 mg of ZIF-8 were placed on the front and back sides of a corundum boat sealed with a lid, and heated at 1000 \u00b0C under Ar flowing for 2 h in a tube furnace. The final catalysts were obtained without any additional acidic leaching and heating treatments. For comparison, four batches of ZIF-8 precursors with different particle sizes were subjected to the same thermal activation except the different heated activation temperatures (donated as Fe1NC/SX-Y, where Y = 800 \u00b0C, 900 \u00b0C, or 1000 \u00b0C). The maximum activation temperature of 1000 \u00b0C was limited by the operating temperature range of the tube furnace."
+ }
+ ],
+ "10.1002_anie.201911516": [
+ {
+ "id": 198,
+ "sac_id": "Atom: Pd\nSupport Material: TiO2\nSynthesis Method: Photochemical\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: TiO2\n\n",
+ "predicted": "Precursor synthesis: 1.5 g of tannic acid was added into 30 mL deionized water and stirred for 4 h to obtain a clear solution. Then, 0.675 g Na2PdCl4 was dissolved in the above solution by ultrasound for another 30 min. The pH value of the above solution was adjusted to 8.5 by adding NH4OH dropwise under stirring until the solution turned brownish-yellow. After stirring for 2 h at room temperature, the product was collected by centrifugation and dried overnight at 80 \u00b0C. The product was then calcined at 300 \u00b0C for 2 h with a heating rate of 2 \u00b0C/min. The obtained powder was soaked in 1 M HCl solution for 12 h to remove the aggregated Pd nanoparticles. Finally, the powder was collected by filtration and dried at 80 \u00b0C for 6 h.\n\nElectrochemical measurements: The electrochemical measurements were performed using a CHI 660E electrochemical workstation (Shanghai Chenhua Instrument Co., Ltd.). A three-electrode system was used for the LSVs, where a graphite rod served as the counter electrode, Ag/AgCl served as the reference electrode, and the working electrode was prepared by dropping 5 \u03bcL of the catalyst ink onto a carbon paper surface with a diameter of 1 cm. The catalyst ink was prepared by dispersing the as-prepared electrocatalysts in an ethanol/water mixture (v/v = 10:1) containing 0.05 M H2SO4 at a concentration of 0.1 mg mL -1 and further ultrasonicated for 30 min before use. The CV measurements were conducted in Ar-saturated 0.1 M H2SO4 electrolyte at a scan rate of 10 mV s -1. The EIS measurements were carried out in Ar-saturated 0.1 M H2SO4 electrolyte with a frequency range from 100 k to 10 m at a bias potential of 0.05 V. The HA measurements were conducted in O2-saturated 0.1 M KOH electrolyte at a potential of 1.2 V. The HA products were quantitatively determined by iodometric titration.",
+ "ground_truth": "Precursor synthesis: Potassium tetrachloropalladate (K2PdCl4) and chlorpyrifos were purchased from Aladdin (Shanghai, China). Paraoxon was bought from Dr. Ehrenstorfer GmbH (Augsburg, Germany). Monocrotophos, dipterex, and Pd(CH3CN)4(BF4)2 were purchased from Sigma-Aldrich. Deionized (DI) water was used for all experiments.\nSAC synthesis: TiO2 powder and K2PdCl4 aqueous solution (0.752 mM) were mixed in 100 mL distilled water. The above mixture was then magnetically stirred for 30 min to form homogeneous TiO2/K2PdCl4 solution. Consequently, the mixture was rapidly frozen with the employment of liquid nitrogen, followed by Xe light irradiation (300 W) for 5 min. After that, the iced solution was naturally melt. Through centrifugation and washing with ultrapure water, the precipitates was treated by freeze drying to obtain single atom catalyst of metal Pd species supported TiO2 (Pd/TiO2). On the other hand, the above mixture, without the need of liquid nitrogen treatment, was directly irradiated by Xe light and the made sample was regarded as the control."
+ }
+ ],
+ "10.1002_smll.201604290": [
+ {
+ "id": 199,
+ "sac_id": "Atom: Fe\nSupport Material: N-doped hierarchically porous carbon (NHPC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: N-doped hierarchically porous carbon (NHPC)\n\n",
+ "predicted": "Precursor synthesis: Zn(II)-based MOF precursors (Zn3(1,4-NDC)\u00b79H2O) were used to construct N-doped hierarchically porous carbon (NHPC).\nNHPC synthesis: The synthesis procedure of NHPC is as follows. First, a mixture of melamine (C3H6N6, 5 g), diphenyl sildium diimide (PBSi, 0.8 g), and ZnCl2 (0.7 g) was ground in a mortar for 30 min. Then, the obtained mixture was placed into a crucible and heated at 550 \u00b0C for 2 h with a heating rate of 2.5 \u00b0C/min under Ar gas flow. After cooling down to room temperature naturally, the product was collected and stirred in 2 m HNO3 solution for 24 h, followed by washing with DI water several times and drying at 60 \u00b0C for 12 h. Finally, the product was subjected to a second heat treatment at 900 \u00b0C for 2 h with a heating rate of 2.5 \u00b0C/min under Ar gas flow to yield NHPC.",
+ "ground_truth": "Precursor synthesis: The porphyra was grown in Xiapu city (Fujian province, China) and purchased from the supermarket in Beijing. After washed with ultrapure water for several times, the porphyra was dried at 80 \u00b0C for more than 12 h and shattered into powder for the further processing. Then, the dried porphyra powder was precarbonized at 300 \u00b0C for 1 h (1 \u00b0C min^-1, under air atmosphere), followed with the carbonization/activation process (900 \u00b0C heat treatment with potassium hydroxide as active agent for 2 h, 5 \u00b0C min^-1, under Ar atmosphere). The weight ratio of precarbonization products/active agent is 2/1. The bio-porphyracarbon was washed with dilute hydrochloric acid, hydrofluoric acid, and ultrapure water to remove possible impurities. The final biocarbon product (NHPC) was filtrated and dried at 80 \u00b0C for 24 h.\nSAC synthesis: The as-prepared NHPC (150 mg) and hemin (100 mg) were stirred and sonicated in the dimethylformamide solution (50 mL) for 5 h at room temperature. After separated from the mixture solution by filtration and dried at 100 \u00b0C for 24 h, the hemin-adsorbed NHPC (Hemin/NHPC) sample was prepared. Subsequently, the Hemin/NHPC was pyrolyzed for 2 h, 5 \u00b0C min^-1, under Ar atmosphere and generated into the Hemin/NHPC-700, NHPC supported single-atomic Fe (SA-Fe/NHPC), and NHPC supported nanoparticle Fe (NP-Fe/NHPC) by pyrolysis temperature of 700, 800, and 900 \u00b0C, respectively."
+ }
+ ],
+ "10.1002_chem.202002330": [
+ {
+ "id": 200,
+ "sac_id": "Atom: Co\nSupport Material: Fe MIL-53\nSynthesis Method: High temperature\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Fe MIL-53\n\n",
+ "predicted": "Precursor synthesis: 1.2 g FeCl\u2083\u00b76H\u2082O (4 mmol) and 0.8 g terephthalic acid (4.8 mmol) were added into a 50 mL Teflon-lined stainless steel autoclave containing 20 mL of N, N-dimethylformamide (DMF). The autoclave was heated at 120 \u00b0C for 4 h. After cooling to room temperature, the yellowish product was collected by centrifugation, washed with deionized water and ethanol three times, respectively.\nSAC Synthesis: 100 mg as-synthesized Fe MIL-53 was dispersed in 50 mL of acetone under ultrasonication for 10 min. Then, 100 mg CoPc was added into the above solution. The mixture was further stirred for 24 h at room temperature. Subsequently, the purple powder was collected by centrifugation, washed with deionized water and ethanol three times, respectively.",
+ "ground_truth": "Precursor synthesis: FeCl3\u00b76H2O (405.3 mg), 1,4-BDC (249.2 mg) and Co(NO3)2\u00b76H2O (1047.8 mg) were added into 180 mL of DMA and dissolved with ultrasonication. The obtained dark-blue mixed solution was transferred into a 200-mL Teflon autoclave and then heated to 150\u00b0C for 3 h. Afterwards, it was cooled to RT to obtain precipitate. The precipitate was washed thrice with ethanol and water, and collected with lyophilisation. Fe MIL-53 was synthesized by the same protocol except the addition of Co(NO3)2\u00b76H2O.\nSAC synthesis: FeCl3\u00b76H2O (405.3 mg), 1,4-BDC (249.2 mg) and Co(NO3)2\u00b76H2O (1047.8 mg) were added into 180 mL of DMA and dissolved with ultrasonication. The obtained dark-blue mixed solution was transferred into a 200-mL Teflon autoclave and then heated to 150\u00b0C for 3 h. Afterwards, it was cooled to RT to obtain precipitate. The precipitate was washed thrice with ethanol and water, and collected with lyophilisation."
+ }
+ ],
+ "10.1002_anie.201914565": [
+ {
+ "id": 201,
+ "sac_id": "Atom: Co\nSupport Material: Polymeric Carbon Nitride (CN)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Polymeric Carbon Nitride (CN)\n\n",
+ "predicted": "Precursor synthesis: Carbon nitride (CN) was prepared by a solid-state reaction of commercially available urea at 550 \u00b0C for 4 h with a heating rate of 5 \u00b0C min^-1 under air atmosphere. The as-prepared yellow powder was further annealed at 400 \u00b0C for 2 h in an argon atmosphere to obtain the final product of CN.\n\nSynthesis of Co/CN photocatalysts: For the single-atom Co/CN photocatalyst, 3 g of CN and 0.06 mmol of cobalt(II) acetate tetrahydrate were dissolved into 10 mL of deionized water. After stirring for 8 h, the mixture was centrifuged and washed with deionized water three times. The obtained solid was dried in a vacuum oven after being frozen with liquid nitrogen.",
+ "ground_truth": "Precursor synthesis: Polymeric carbon nitride (CN) were synthesized via heat treatment of 10 g urea at 550 \u2103 for 2 h with a heating rate of 5 \u2103 min -1 , followed by washing with distilled water and ethanol to remove residual precursors. Both urea and CoCl2\u00b76H2O were purchased from Sinopharm Chemical Reagent Co., Ltd.\nSAC synthesis: 50 mg CN was dispersed in 10 mL of deionized water, and then 50 \u03bcL of CoCl2\u00b76H2O solution (10 mg mL -1 ) was dropwise added, followed by a continuous ultrasonic dispersion at room temperature for 3 h. The suspension was rapidly frozen in liquid nitrogen and the products were collected by directly freeze drying the suspension without further washing. The sample without further calcination was denoted as CN-0.2Co 2+ . For activation, 150 mg CN-0.2Co 2+ was evenly placed in a quartz crucible. The sample was calcined in 5% H2/Ar at 350 \u2103 for 2 h first, and then further calcined in 5% O2/Ar at 200 \u2103 for 2 h. As comparison, CN-0.2Co-H and CN-0.2Co-O were obtained by calcining CN-0.2Co 2+ in 5% H2/Ar or 5% O2/Ar at 350 \u2103 for 2 h, respectively."
+ },
+ {
+ "id": 202,
+ "sac_id": "Atom: Cu\nSupport Material: Polymeric Carbon Nitride (CN)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: Polymeric Carbon Nitride (CN)\n\n",
+ "predicted": "Precursor synthesis: In a typical synthesis, 10 g NaCl and 2.86 g urea were added into a beaker with continuous stirring until complete dissolution. Then, 3 mL copper nitrate solution (1 M) was added dropwise to the above solution under vigorous stirring for 5 min. Subsequently, the mixture was transferred into an oven at 70 \u00b0C and kept for 48 h. After evaporation of H2O by heating at 105 \u00b0C overnight, the remaining solid was ground to powder and then calcined at 550 \u00b0C for 4 h in air. After washing with deionized water and ethanol, the obtained sample was dried at 60 \u00b0C overnight and denoted as CuxCl-CN. The content of Cu in CuxCl-CN was determined by ICP-OES to be 0.9 wt% based on the formula CuxCl-CN (x = 0.9).\n\nPhotocatalytic CO2 reduction: A custom-built setup was used to perform photocatalytic CO2 reduction in a quartz cell with a volume of 100 mL. The reaction cell was equipped with two independent UV lamps (\u03bb > 350 nm, 300 W), a gas inlet for CO2 (purity > 99.999%) and O2 (purity > 99.999%), a condenser filled with ice water, and an outlet for the reaction products. Before irradiation, the photocatalyst powder (10 mg) was dispersed in a Tris-HCO3 buffer solution (0.1 M, pH = 9) under stirring. Then, the prepared suspension (20 mL) was loaded into the quartz cell, and the reaction was initiated by purging CO2 for 30 min to saturate the solution with CO2 until the equilibrium state. Afterwards, the reaction was started by turning on the UV lamps, and the samples were taken at different irradiation times for analysis. During the whole process, the temperature of the reaction system was maintained at room temperature by the ice bath. The gas phase was analyzed by gas chromatography (Agilent 7890B) after the separation using a molecular sieve 5A column and TCD or FID detectors. The liquid phase was centrifuged and analyzed by ICP-OES after appropriate dilution.",
+ "ground_truth": "Precursor synthesis: Polymeric carbon nitride (CN) were synthesized via heat treatment of 10 g urea at 550 \u2103 for 2 h with a heating rate of 5 \u2103 min -1 , followed by washing with distilled water and ethanol to remove residual precursors. Both urea and CuCl2\u00b72H2O were purchased from Sinopharm Chemical Reagent Co., Ltd.\nSAC synthesis: 50 mg CN was dispersed in 10 mL of deionized water, and then 50 \u03bcL of CuCl2\u00b72H2O solution (10 mg mL -1 ) was dropwise added, followed by a continuous ultrasonic dispersion at room temperature for 3 h. The suspension was rapidly frozen in liquid nitrogen and the products were collected by directly freeze drying the suspension without further washing. The sample without further calcination was denoted as CN-0.2Cu 2+ . For activation, 150 mg CN-0.2Cu 2+ was evenly placed in a quartz crucible. The sample was calcined in 5% H2/Ar at 350 \u2103 for 2 h first, and then further calcined in 5% O2/Ar at 200 \u2103 for 2 h. As comparison, CN-0.2Cu-H and CN-0.2Cu-O were obtained by calcining CN-0.2Cu 2+ in 5% H2/Ar or 5% O2/Ar at 350 \u2103 for 2 h, respectively."
+ },
+ {
+ "id": 203,
+ "sac_id": "Atom: Ni\nSupport Material: Polymeric Carbon Nitride (CN)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Polymeric Carbon Nitride (CN)\n\n",
+ "predicted": "Precursor synthesis: Nickel acetate tetrahydrate (Ni(CH\u2083COO)\u2082\u00b74H\u2082O, 2.0 mmol), polyvinylpyrrolidone (PVP, 8.0 mmol), and citric acid (C\u2086H\u2088O\u2087, 6.0 mmol) were dissolved in deionized water (40 mL). The solution was stirred at 90 \u00b0C for 3 h to obtain a green precipitate. After centrifuging the precipitate, washing it with ethanol, and drying it overnight at 70 \u00b0C, the product was obtained.\nSN-Ni-CN synthesis: A certain amount of SN-CN was dispersed in 10 mL of methanol and sonicated for 5 min. Then, 5 mL of an ethanol solution containing 10 mg of Ni(CH\u2083COO)\u2082\u00b74H\u2082O was added dropwise to the above mixture while stirring. After stirring for 2 h, the mixed solution was centrifuged, washed with distilled water, and then dried in a vacuum oven at 70 \u00b0C for 3 h. Finally, the obtained powder was placed in a tube furnace and calcined at 500 \u00b0C for 3 h with a heating rate of 5 \u00b0C/min under an Ar atmosphere to obtain SN-Ni-CN.",
+ "ground_truth": "Precursor synthesis: Polymeric carbon nitride (CN) were synthesized via heat treatment of 10 g urea at 550 \u2103 for 2 h with a heating rate of 5 \u2103 min -1 , followed by washing with distilled water and ethanol to remove residual precursors. Both urea and NiCl2\u00b76H2O were purchased from Sinopharm Chemical Reagent Co., Ltd.\nSAC synthesis: 50 mg CN was dispersed in 10 mL of deionized water, and then a certain amount (50 \u03bcL, 150 \u03bcL, 500 \u03bcL, 750 \u03bcL) of NiCl2\u00b76H2O solution (10 mg mL -1 ) was dropwise added, followed by a continuous ultrasonic dispersion at room temperature for 3 h. The suspension was rapidly frozen in liquid nitrogen and the products were collected by directly freeze drying the suspension without further washing. The sample without further calcination was denoted as CN-xNi 2+ , in which x represents the atomic ratio of Ni calculated according to inductively coupled plasma atomic emission spectroscopy (ICP-AES) measurements. For activation, 150 mg CN-0.2Ni 2+ was evenly placed in a quartz crucible. The sample was calcined in 5% H2/Ar at 350 \u2103 for 2 h first, and then further calcined in 5% O2/Ar at 200 \u2103 for 2 h. Samples with different Ni loading amount were activated under the same conditions. As comparison, CN-0.2Ni-H and CN-0.2Ni-O were obtained by calcining CN-0.2Ni 2+ in 5% H2/Ar or 5% O2/Ar at 350 \u2103 for 2 h, respectively."
+ },
+ {
+ "id": 204,
+ "sac_id": "Atom: Fe\nSupport Material: Polymeric Carbon Nitride (CN)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Polymeric Carbon Nitride (CN)\n\n",
+ "predicted": "Precursor synthesis: Iron(III) nitrate nonahydrate (Fe(NO3)3\u00b79H2O, 0.1 g mL-1) was prepared by dissolving the appropriate amount of Fe(NO3)3\u00b79H2O in deionized water.\nCN support preparation: CN was synthesized via a conventional calcination method. Firstly, a mixture of cyanamide (5 g), melamine (45 g), and deionized water (75 mL) was stirred at room temperature for 6 h to obtain a homogeneous solution. Then, the solution was transferred into a Teflon-lined stainless steel autoclave and heated at 180 \u00b0C for 6 h. After cooling down to room temperature, the solid product was collected and dried at 60 \u00b0C for 12 h.\nMetal ion impregnation: A certain amount of Fe(NO3)3 solution was mixed with CN powder suspension (50 mg CN dispersed in 10 mL deionized water under ultrasonication). Specifically, the concentrations of Fe(NO3)3 in the solutions for photocatalytic CO2RR were 0.01, 0.05, 0.1, 0.5, and 2.5 mmol L-1, while that for linear sweep voltammetry (LSV) were 0.5 mmol L-1. The mixtures were stirred at room temperature for 12 h. Afterward, the resulting solids were filtered and washed with deionized water and ethanol, followed by drying at 60 \u00b0C for 12 h. The obtained samples were denoted as x Fe-CN, where x represented the actual Fe content determined by inductively coupled plasma optical emission spectroscopy (ICP-OES) measured weight percentages of Fe relative to CN.\n\nSensitization treatment: To prepare the sensitized catalysts, x Fe-CN catalysts were sensitized through a facile microwave irradiation process. Typically, 20 mg of the as-prepared catalysts were first dispersed in 20 mL of isopropanol under ultrasonication. Then, the mixture was irradiated in a microwave oven (Panasonic NN-SF372M, output power: 1000 W) for 10 min. Finally, the resulting solid was centrifuged and rinsed with deionized water and ethanol three times, followed by drying at 60 \u00b0C for 12 h. These catalysts were denoted as x Fe-CN-MW.",
+ "ground_truth": "Precursor synthesis: Polymeric carbon nitride (CN) were synthesized via heat treatment of 10 g urea at 550 \u2103 for 2 h with a heating rate of 5 \u2103 min -1 , followed by washing with distilled water and ethanol to remove residual precursors. Both urea and FeCl3\u00b76H2O were purchased from Sinopharm Chemical Reagent Co., Ltd.\nSAC synthesis: 50 mg CN was dispersed in 10 mL of deionized water, and then 50 \u03bcL of FeCl3\u00b76H2O solution (10 mg mL -1 ) was dropwise added, followed by a continuous ultrasonic dispersion at room temperature for 3 h. The suspension was rapidly frozen in liquid nitrogen and the products were collected by directly freeze drying the suspension without further washing. The sample without further calcination was denoted as CN-0.2Fe 2+ . For activation, 150 mg CN-0.2Fe 2+ was evenly placed in a quartz crucible. The sample was calcined in 5% H2/Ar at 350 \u2103 for 2 h first, and then further calcined in 5% O2/Ar at 200 \u2103 for 2 h. As comparison, CN-0.2Fe-H and CN-0.2Fe-O were obtained by calcining CN-0.2Fe 2+ in 5% H2/Ar or 5% O2/Ar at 350 \u2103 for 2 h, respectively."
+ }
+ ],
+ "10.1002_cssc.202000536": [
+ {
+ "id": 205,
+ "sac_id": "Atom: Cu\nSupport Material: Coordinatively unsaturated Al2O3 (rcu-Al2O3)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Organic\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: Coordinatively unsaturated Al2O3 (rcu-Al2O3)\n\n",
+ "predicted": "Precursor synthesis: The rcu-Al2O3 support was prepared by a method similar to that of Al2O3, except that the solvent was acetonitrile and the Al source was Al(acac)3 with a molar ratio of 1.0 for Al/Cu.\n\nMetal incorporation: Cu was loaded onto the rcu-Al2O3 via an impregnation process at room temperature. An aqueous solution of CuCl2 was added dropwise to the rcu-Al2O3 support and then the mixture was stirred overnight. After drying at 80 \u00b0C for 5 h, the solid was calcined at 600 \u00b0C for 4 h.",
+ "ground_truth": "Precursor synthesis: 0.44 g Cu(NO3)2\u00b73H2O and 2 g Pluronic P123 (Mav = 5800, EO20PO70EO20) were dissolved in 20 ml of ethanol at room temperature. 3.72 g of aluminum iso-propoxide and 3.2 ml of 67 wt% nitric acid were dissolved in 20 ml of ethanol.\nSAC synthesis: The two solutions (Cu(NO3)2\u00b73H2O and Pluronic P123, aluminum iso-propoxide and nitric acid) were mixed under vigorous stirring for 5 h. The mixture was then put into a 60 \u00b0C drying oven to undergo the solvent evaporation process. A light-green sponge-like solid was obtained after 48 h of aging. Calcination was carried out with a 1 \u00b0C min^-1 ramping rate from room temperature to 400 \u00b0C, and maintaining at 400 \u00b0C for 4 h in air. The obtained catalyst was labeled as the Cu1/rcu-Al2O3."
+ }
+ ],
+ "10.1002_smll.202002071": [
+ {
+ "id": 206,
+ "sac_id": "Atom: Pd\nSupport Material: Co x O y nanoarrays\nSynthesis Method: Solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: Co x O y nanoarrays\n\n",
+ "predicted": "Precursor synthesis: The Pd NP seeds were prepared by a wet impregnation method. Typically, 10 mL of H2PdCl4 solution (0.05 mmol L-1) was added dropwise into 90 mL of deionized water and stirred for 3 h. Then, 10 mL NaBH4 solution (1 mmol L-1) was quickly injected and stirred for another 30 min to reduce the palladium ions. Subsequently, the product was collected by centrifugation and dispersed in 20 mL of ethanol for further use.\n\nSynthesis of Co x O y nanorods: In a typical procedure, 2 mL of Co(NO3)2\u00b76H2O solution (0.2 mol L-1), 2 mL of NaOH solution (also 0.2 mol L-1), and 80 mL of ethylene glycol were added into a 100 mL three-necked flask. The mixture was heated to 140 \u00b0C with magnetic stirring until the solution became transparent. Then, 20 mL of the as-prepared Pd NPs solution (containing ca. 7 mg mL-1 Pd NPs) was injected into the above flask under sonication. After aging for 3 hours, the final product was collected via centrifugation and washed twice with water.\n\nSacrifice-template method: A series of annealing temperatures ranging from 300 to 600 \u00b0C were used to obtain different Co x O y nanorod samples. In a typical process, 300 mg of as-synthesized Co x O y nanorods was annealed at 300, 400, 500, or 600 \u00b0C for 2 h in air with a rising rate of 5 \u00b0C min-1, followed by natural cooling to room temperature. Finally, the products were collected for further characterization and electrochemical tests.\n\nElectrochemical measurements: All electrochemical measurements were carried out using a CHI 660E electrochemical workstation (Shanghai Chenhua Instrument Co., Ltd.). A three-electrode system was employed for ORR and OER tests, in which the working electrode was the modified carbon paper, the reference electrode was a reversible hydrogen electrode (RHE), and the counter electrode was platinum. For ORR test, the working electrode current density was recorded at a rotation rate of 1200 rpm, 1000 rpm, 900 rpm, 800 rpm, and 400 rpm with a potential window from 0.00 V to 1.00 V vs. RHE with a step of 2 mV. The kinetic parameters of ORR were calculated by Koutsoumanis' method. The OER test was performed in 0.1 M KOH electrolyte with a potential window from 1.20 V to 1.90 V vs. RHE with a step of 5 mV. ICA was applied to evaluate the stability of the catalysts. The ICA test was conducted in 0.1 M KOH electrolyte with a potential window from 0.00 V to 1.00 V vs. RHE for 1000 consecutive cycles.",
+ "ground_truth": "Precursor synthesis: In a typical process, certain amounts of Co(NO3)2\u00b76H2O, ammoniumfluoride and urea were dissolved into 40 mL of deionized water to form a homogeneous solution followed by ultrasonic treatment. Carbon fibers were washed with deionized water and HCl solution to remove impurities of the surface, and dried in an oven. Afterwards, as-pretreated carbon fibers and prepared aqueous solution were transferred into a Teflon-lined stainless autoclave. The hydrothermal reaction in the oven proceeded under different temperatures (90 \u00b0C, 100 \u00b0C, 120 \u00b0C, and 140 \u00b0C) and at different time, then cooled down to room temperature. The samples were collected and rinsed with distilled water and ethanol three times and then calcined in air. The resulting samples with disparate morphologies (ordinary nanoprisms, serried nanoprisms, interlaced nanoneedles, and bifurcate nanowires) were abbreviated as Co x O y -O, Co x O y -S, Co x O y -I, and Co x O y -B, respectively. Moreover, the urchin-like Co x O y microspheres were also fabricated in a similar method at 120 \u00b0C without adding carbon fiber.\n\nSAC synthesis: Pd/Co x O y nanoarray catalysts were synthesized by an improved incipient wetness impregnation method for supported Pd catalysts. Palladium nitrate solution with appropriate concentration was deposited on the prepared supports with three impregnations. Samples were dried at 120 \u00b0C for 2 h after each addition. In order to achieve best dispersion of Pd species, the samples were finally calcined in reducing atmosphere (10 vol% hydrogen and 90 vol% nitrogen) at 60 \u00b0C for 2 h with a slow heating rate of 1 \u00b0C min-1."
+ },
+ {
+ "id": 207,
+ "sac_id": "Atom: Pd\nSupport Material: Co x O y nanoarrays\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: Co x O y nanoarrays\n\n",
+ "predicted": "Precursor synthesis: The Pd NP seeds were prepared by a wet impregnation method. Typically, 10 mL of H2PdCl4 solution (0.05 mmol L-1) was added dropwise into 90 mL of deionized water and stirred for 3 h. Then, 10 mL NaBH4 solution (1 mmol L-1) was quickly injected and stirred for another 30 min to reduce the palladium ions. Subsequently, the product was collected by centrifugation and dispersed in 20 mL of ethanol for further use.\n\nSynthesis of Co x O y nanorods: In a typical procedure, 2 mL of Co(NO3)2\u00b76H2O solution (0.2 mol L-1), 2 mL of NaOH solution (also 0.2 mol L-1), and 80 mL of ethylene glycol were added into a 100 mL three-necked flask. The mixture was heated to 140 \u00b0C with magnetic stirring until the solution became transparent. Then, 20 mL of the as-prepared Pd NPs solution (containing ca. 7 mg mL-1 Pd NPs) was injected into the above flask under sonication. After aging for 3 hours, the final product was collected via centrifugation and washed twice with water.\n\nSacrifice-template method: A series of annealing temperatures ranging from 300 to 600 \u00b0C were used to obtain different Co x O y nanorod samples. In a typical process, 300 mg of as-synthesized Co x O y nanorods was annealed at 300, 400, 500, or 600 \u00b0C for 2 h in air with a rising rate of 5 \u00b0C min-1, followed by natural cooling to room temperature. Finally, the products were collected for further characterization and electrochemical tests.\n\nElectrochemical measurements: All electrochemical measurements were carried out using a CHI 660E electrochemical workstation (Shanghai Chenhua Instrument Co., Ltd.). A three-electrode system was employed for ORR and OER tests, in which the working electrode was the modified carbon paper, the reference electrode was a reversible hydrogen electrode (RHE), and the counter electrode was platinum. For ORR test, the working electrode current density was recorded at a rotation rate of 1200 rpm, 1000 rpm, 900 rpm, 800 rpm, and 400 rpm with a potential window from 0.00 V to 1.00 V vs. RHE with a step of 2 mV. The kinetic parameters of ORR were calculated by Koutsoumanis' method. The OER test was performed in 0.1 M KOH electrolyte with a potential window from 1.20 V to 1.90 V vs. RHE with a step of 5 mV. ICA was applied to evaluate the stability of the catalysts. The ICA test was conducted in 0.1 M KOH electrolyte with a potential window from 0.00 V to 1.00 V vs. RHE for 1000 consecutive cycles.",
+ "ground_truth": "Precursor synthesis: In a typical process, certain amounts of Co(NO3)2\u00b76H2O, ammoniumfluoride and urea were dissolved into 40 mL of deionized water to form a homogeneous solution followed by ultrasonic treatment. Carbon fibers were washed with deionized water and HCl solution to remove impurities of the surface, and dried in an oven. Afterwards, as-pretreated carbon fibers and prepared aqueous solution were transferred into a Teflon-lined stainless autoclave. The hydrothermal reaction in the oven proceeded under different temperatures (90 \u00b0C, 100 \u00b0C, 120 \u00b0C, and 140 \u00b0C) and at different time, then cooled down to room temperature. The samples were collected and rinsed with distilled water and ethanol three times and then calcined in air. The resulting samples with disparate morphologies (ordinary nanoprisms, serried nanoprisms, interlaced nanoneedles, and bifurcate nanowires) were abbreviated as Co x O y -O, Co x O y -S, Co x O y -I, and Co x O y -B, respectively. Moreover, the urchin-like Co x O y microspheres were also fabricated in a similar method at 120 \u00b0C without adding carbon fiber.\n\nSAC synthesis: Pd/Co x O y nanoarray catalysts were synthesized by an improved incipient wetness impregnation method for supported Pd catalysts. Palladium nitrate solution with appropriate concentration was deposited on the prepared supports with three impregnations. Samples were dried at 120 \u00b0C for 2 h after each addition. In order to achieve best dispersion of Pd species, the samples were finally calcined in reducing atmosphere (10 vol% hydrogen and 90 vol% nitrogen) at 60 \u00b0C for 2 h with a slow heating rate of 1 \u00b0C min-1."
+ }
+ ],
+ "10.1002_anie.201915774": [
+ {
+ "id": 208,
+ "sac_id": "Atom: Pt\nSupport Material: C3N4 (graphitic carbon nitride)\nSynthesis Method: Photochemical\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: C3N4 (graphitic carbon nitride)\n\n",
+ "predicted": "Precursor synthesis: The preparation of C3N4 was carried out by heating dicyandiamide (10 g) at 550 \u00b0C for 4 h in a covered alumina crucible at a heating rate of 2.5 \u00b0C min-1 under argon flow. After cooling to room temperature, the obtained yellow solid was ground into powder and further calcined at 550 \u00b0C for 1 h. Subsequently, the sample was picked up and stored in an airtight bag for further use.\n\nSynthesis of Pt/CN nanosheets: In a typical procedure, 2 g of C3N4 was dispersed in 80 mL of deionized water under ultrasonication for 30 min. Then, 2 mL of H2PtCl6\u00b76H2O solution (1 mg mL-1) was added dropwise to the above suspension with continuous ultrasonication. The resulting suspension was stirred magnetically at room temperature for another 24 h. Thereafter, the mixture was centrifuged and dried at 70 \u00b0C. Finally, the product was calcined at 350 \u00b0C for 2 h with a heating rate of 5 \u00b0C min-1 under argon flow, and Pt/CN nanosheets were obtained.",
+ "ground_truth": "Precursor synthesis: Melamine (8 g) was heated to 500\u00b0C for 4 h at a rate of 12 \u00b0C min -1 in a muffle furnace in an air atmosphere. After that, 600 mg of the preheated sample was ground with KCl (3.3 g) and LiCl (2.7 g). Then the mixture was heated to 550 \u00b0C for 4 h under a N2 atmosphere in a tube furnace. After it was cooled to room temperature, the product was washed with boiling deionized water several times and collected by filtration, followed by drying at 60 \u00b0C in oven.\nSAC synthesis: 0.13, 0.26 or 0.39 mL H2PtCl6\u00b76H2O (19.3 mmol L -1 ) was added into 100 mL aqueous solution containing 50 mg C3N4, 0.1 M NaOH and 0.1 M NaBH4. Subsequently, the solution was stirred for 120 min and washed three times with water and ethanol. Finally, the as-obtained sample was dried in oven at 60\u00b0C."
+ },
+ {
+ "id": 209,
+ "sac_id": "Atom: Pt\nSupport Material: C3N4 (graphitic carbon nitride)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: C3N4 (graphitic carbon nitride)\n\n",
+ "predicted": "Precursor synthesis: The preparation of C3N4 was carried out by heating dicyandiamide (10 g) at 550 \u00b0C for 4 h in a covered alumina crucible at a heating rate of 2.5 \u00b0C min-1 under argon flow. After cooling to room temperature, the obtained yellow solid was ground into powder and further calcined at 550 \u00b0C for 1 h. Subsequently, the sample was picked up and stored in an airtight bag for further use.\n\nSynthesis of Pt/CN nanosheets: In a typical procedure, 2 g of C3N4 was dispersed in 80 mL of deionized water under ultrasonication for 30 min. Then, 2 mL of H2PtCl6\u00b76H2O solution (1 mg mL-1) was added dropwise to the above suspension with continuous ultrasonication. The resulting suspension was stirred magnetically at room temperature for another 24 h. Thereafter, the mixture was centrifuged and dried at 70 \u00b0C. Finally, the product was calcined at 350 \u00b0C for 2 h with a heating rate of 5 \u00b0C min-1 under argon flow, and Pt/CN nanosheets were obtained.",
+ "ground_truth": "Precursor synthesis: Melamine (8 g) was heated to 500\u00b0C for 4 h at a rate of 12 \u00b0C min -1 in a muffle furnace in an air atmosphere. After that, 600 mg of the preheated sample was ground with KCl (3.3 g) and LiCl (2.7 g). Then the mixture was heated to 550 \u00b0C for 4 h under a N2 atmosphere in a tube furnace. After it was cooled to room temperature, the product was washed with boiling deionized water several times and collected by filtration, followed by drying at 60 \u00b0C in oven.\nSAC synthesis: 0.13, 0.26 or 0.39 mL H2PtCl6\u00b76H2O (19.3 mmol L -1 ) was added into 100 mL aqueous solution containing 50 mg C3N4, 0.1 M NaOH and 0.1 M NaBH4. Subsequently, the solution was stirred for 120 min and washed three times with water and ethanol. Finally, the as-obtained sample was dried in oven at 60\u00b0C."
+ },
+ {
+ "id": 210,
+ "sac_id": "Atom: Pt\nSupport Material: C3N4 (graphitic carbon nitride)\nSynthesis Method: Solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: C3N4 (graphitic carbon nitride)\n\n",
+ "predicted": "Precursor synthesis: The preparation of C3N4 was carried out by heating dicyandiamide (10 g) at 550 \u00b0C for 4 h in a covered alumina crucible at a heating rate of 2.5 \u00b0C min-1 under argon flow. After cooling to room temperature, the obtained yellow solid was ground into powder and further calcined at 550 \u00b0C for 1 h. Subsequently, the sample was picked up and stored in an airtight bag for further use.\n\nSynthesis of Pt/CN nanosheets: In a typical procedure, 2 g of C3N4 was dispersed in 80 mL of deionized water under ultrasonication for 30 min. Then, 2 mL of H2PtCl6\u00b76H2O solution (1 mg mL-1) was added dropwise to the above suspension with continuous ultrasonication. The resulting suspension was stirred magnetically at room temperature for another 24 h. Thereafter, the mixture was centrifuged and dried at 70 \u00b0C. Finally, the product was calcined at 350 \u00b0C for 2 h with a heating rate of 5 \u00b0C min-1 under argon flow, and Pt/CN nanosheets were obtained.",
+ "ground_truth": "Precursor synthesis: Melamine (8 g) was heated to 500\u00b0C for 4 h at a rate of 12 \u00b0C min -1 in a muffle furnace in an air atmosphere. After that, 600 mg of the preheated sample was ground with KCl (3.3 g) and LiCl (2.7 g). Then the mixture was heated to 550 \u00b0C for 4 h under a N2 atmosphere in a tube furnace. After it was cooled to room temperature, the product was washed with boiling deionized water several times and collected by filtration, followed by drying at 60 \u00b0C in oven.\nSAC synthesis: 0.13, 0.26 or 0.39 mL H2PtCl6\u00b76H2O (19.3 mmol L -1 ) was added into 100 mL aqueous solution containing 50 mg C3N4, 0.1 M NaOH and 0.1 M NaBH4. Subsequently, the solution was stirred for 120 min and washed three times with water and ethanol. Finally, the as-obtained sample was dried in oven at 60\u00b0C."
+ }
+ ],
+ "10.1002_cctc.201901643": [
+ {
+ "id": 211,
+ "sac_id": "Atom: Ni\nSupport Material: N-doped Carbon Hollow Spheres (N/C-x)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: N-doped Carbon Hollow Spheres (N/C-x)\n\n",
+ "predicted": "Precursor synthesis: The Mn3O4 hollow spheres were prepared according to a previous report. In a typical synthesis, 10 mL of ethylenediamine was dropped into a beaker containing 7 mL of deionized water. Then, 2 mL of Tetraethyl orthosilicate was added into the mixture under stirring until it became homogeneous. After that, the mixed solution was stirred continuously for another 15 min, followed by adding 5 mL of H2O and 0.36 g of Mn(Ac)2\u00b74H2O. Subsequently, the mixture was transferred into a Teflon-lined autoclave and then heated at 180 \u00b0C for 12 h. Finally, the product was collected by centrifugation and washed with water three times.\n\nSynthesis of N/C-x: A mixture of SiO2@Mn3O4 (100 mg), urea (1.0 g), melamine (1.0 g), and NH4Cl (1.0 g) was ground manually for 10 min. The obtained powder was calcined at 600 \u00b0C in air for 2 h with a ramping rate of 5 \u00b0C min-1. Finally, N/C-x was obtained after washing with water and acetone for several times.\n\nElectrochemical test: For the electrocatalytic ORR test, a rotating ring-disk electrode (RRDE, Pine Research Instruments, PRINCETON) was used in an O2-saturated 0.1 M KOH electrolyte. The N/C-x working electrode was prepared by drop-casting 5 \u03bcL of ink onto a RRDE disk electrode surface. The electrolyte was kept in a circulating water bath at 60 \u00b0C during the test. The linear sweep voltammetry (LSV) was recorded from 0.9 to -0.1 V vs RHE with 165 mV s-1. The kinetic parameters of the ORR process were calculated using the K-Kettler equation. For the fuel cell test, a two-electrode system was employed. The cathode and anode electrodes were prepared by drop-casting 10 \u03bcL of ink onto a carbon cloth (EC-200, E-TEK). The loaded amount of the material on the carbon cloth was about 0.2 mg cm-2. The two electrodes were separated by a Nafion membrane (Nafion 212, DuPont). The fuel cell test was conducted in an electrochemical workstation (CHI 760E, CH Instruments) with Ar (99.999%) as the fuel. The potential of the cathode was set to be 0.8 V versus RHE, and the current was recorded.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, a solution was prepared by mixing 2.5 mL ammonia (25-28%), 60 mL ethanol and 20 mL deionized water at 30 \u00b0C under stirring. After that, 2.8 mL TEOS was dropped into the above mixture for 30 min. Then 0.3 g F127 was dissolved in above mixture at 30 \u00b0C under stirring. After fully dissolved, 1.2 mmol resorcinol and 0.56 mL formaldehyde were added to the mixed solution. After stirring for 30 min, 4.8 mmol melamine and 0.42 mL formaldehyde were added to the above solution and stirred for 24 h at 30 \u00b0C. Subsequently, the above system was transferred into 100 mL Teflon-lined autocalve and kept 100 \u00b0C for 24 h. The brown products were recovered by centrifugation and washed by water and ethanol several times. The solid was dried overnight at 60 \u00b0C and named as SiO2@MRF spheres. SiO2@MRF was pyrolyzed in the tube furnace at 500 \u00b0C for 1 h with a heating rate of 1 \u00b0C/min under nitrogen flow, and then heated to 700 \u00b0C with a rate of 1 \u00b0C/min and kept at 700 \u00b0C for 2 h. Subsequently, the SiO2 core was removed by 10% HF etching for 24 h to obtain hollow N-doped carbon spheres N/C-x (x refers to the molar ratio of resorcinol to melamine).\nSAC synthesis: 30 mg N/C-x and 9 mg Ni(acac)2 were dispersed in 30 mL DMF under stirring. Then, the mixture was refluxed at 80 \u00b0C for 5 h. The product was recovered after evaporation of DMF at 65 \u00b0C. Then the dried solid was pyrolyzed at 700 \u00b0C for 1 h with a heating rate of 5 \u00b0C/min under flow of N2. The obtained solid was washed by 1 M HCl for 12 h at 80 \u00b0C to remove excess nickel ions, respectively. Finally, the products were dried overnight at 60 \u00b0C."
+ }
+ ],
+ "10.1002_adfm.202000531": [
+ {
+ "id": 212,
+ "sac_id": "Atom: Pt\nSupport Material: Carbon (C)\nSynthesis Method: Mechanochemical\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Carbon (C)\n\n",
+ "predicted": "Precursor synthesis: 2.0 g of carbon black was dispersed in 140 mL of deionized water under ultrasonication for 30 min at room temperature. Then, 2.0 mmol of H2PtCl6\u00b76H2O and 5.0 mmol of NaOH were added to the carbon black suspension, respectively. The mixture was stirred for another 30 min at room temperature and heated to 80 \u00b0C for 4 h with a magnetic stirrer. After cooling to room temperature, the suspension was filtered and rinsed thoroughly with deionized water until the filtrate pH reached neutrality. Finally, the collected products were dried overnight in an oven at 60 \u00b0C and denoted as Pt/C.\n\nSIPT synthesis: In a typical procedure, 0.2 g of as-prepared Pt/C powder was dispersed in 20 mL of deionized water under ultrasonication for 30 min at room temperature. Then, 0.75 mL of TMAA solution (1 M) was added dropwise into the above suspension under vigorous stirring for 30 min. Subsequently, the suspension was freeze-dried for 72 h. Finally, the product was annealed at 900 \u00b0C for 2 h under Ar atmosphere with a ramping rate of 5 \u00b0C min -1 to obtain SIPT.",
+ "ground_truth": "Precursor synthesis: Commercial Vulcan XC-72R was first annealed in a tube furnace at 700 \u00b0C for 4 h under flowing 25 sccm ammonia gas with a heating rate of 3 \u00b0C min^-1 and cooled down naturally to room temperature.\nSAC synthesis: Pt@NC-MB was acquired by applying NaBH4 solution to reduce K2PtCl4@NC-M."
+ },
+ {
+ "id": 213,
+ "sac_id": "Atom: Pt\nSupport Material: N-doped carbon (NC)\nSynthesis Method: Mechanochemical\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: N-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: Zn(NO3)2\u00b76H2O (1.069 g) was dissolved in N, N-Dimethylformamide (DMF) and methanol solution (10 mL, 1:1). A certain amount of homogenized ink (250 \u00b5L), containing different contents of Pt precursor (Pt(acac)2), was dropwise added into the above solution slowly under stirring conditions. Then, the solution was stirred for another 2 h at room temperature. Next, as-prepared solution was transferred into a Teflon-lined stainless steel autoclave, followed by heating at 140 \u00b0C for 4 h. After naturally cooling to room temperature, the product was separated by centrifugation, washed with ethanol three times, and dried at 70 \u00b0C for 12 h.\nSynthsis of Pt nanoparticles on NC supports (Pt@NC): The as-synthesized Pt nanoparticles (10 mg) were dispersed in a mixed solvent (10 mL) of ethanol and water (v/v = 1:1). Then, a certain amount of NC supports (200 mg) were added into the above solution under stirring at room temperature for 4 h. After that, the product was separated by centrifugation, washed with deionized water three times, and dried at 70 \u00b0C for 12 h.",
+ "ground_truth": "Precursor synthesis: Commercial Vulcan XC-72R was first annealed in a tube furnace at 700 \u00b0C for 4 h under flowing 25 sccm ammonia gas with a heating rate of 3 \u00b0C min^-1 and cooled down naturally to room temperature.\nSAC synthesis: Pt@NC-MB was acquired by applying NaBH4 solution to reduce K2PtCl4@NC-M."
+ },
+ {
+ "id": 214,
+ "sac_id": "Atom: Ru\nSupport Material: N-doped carbon (NC)\nSynthesis Method: Solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ru\nSupport Material: N-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: Zn(NO3)2\u00b76H2O (1.069 g) was dissolved in N, N-Dimethylformamide (DMF) and methanol solution (10 mL, 1:1). A certain amount of metal precursors, including Ruthenium acetylacetonate (Ru_30nm) or Ruthenium nitrate (Ru), were dissolved in DMF (10 mL). Then the solution was mixed and stirred for 24 h at room temperature. It was subsequently washed (distilled water and ethanol twice) by a membrane centrifuge and dried at 80 \u00b0C overnight. It was then transferred into a tube furnace and pyrolyzed under Ar atmosphere with a ramp of 5 \u00b0C min -1 to 900 \u00b0C and kept for 3 h. The obtained black powder was etched to remove the excess ZIF-8 templates by HCl solution, followed by washing with deionized water and finally dried at 60 \u00b0C for 12 h.\n\nSynthesis of Ru/NC: The synthesized Ru/ZIF-67 was annealed under Ar flow at 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C min -1. The sample was etched by 1 M HNO3 for 24 h to obtain Ru/NC.",
+ "ground_truth": "Precursor synthesis: Commercial Vulcan XC-72R was first annealed in a tube furnace at 700 \u00b0C for 4 h under flowing 25 sccm ammonia gas with a heating rate of 3 \u00b0C min^-1 and cooled down naturally to room temperature.\nSAC synthesis: 75 mg NC and 3.1 mg RuCl3\u00b7xH2O were transferred into a zirconium dioxide capsule (25 mL) containing 8 g zirconium dioxide balls of 3 mm in diameter. The container was fixed in the thinky super mixer machine (AR-100) and agitated with 400 rpm for 20 min. The resulting product was RuCl3@NC-M."
+ },
+ {
+ "id": 215,
+ "sac_id": "Atom: Rh\nSupport Material: N-doped carbon (NC)\nSynthesis Method: Mechanochemical\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Rh\nSupport Material: N-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: ZIF-8 was prepared according to the reported method with slight modifications. 31 Specifically, Zn(NO3)2\u00b76H2O (0.495 g) and 2-methylimidazole (1.175 g) were dissolved in 50 mL methanol and stirred for 5 min. The mixture was then transferred into a Teflon-lined autoclave, which was subsequently heated at 120 \u00b0C for 4 h. The obtained product was further purified by washing with methanol thrice and dried at 60 \u00b0C overnight.\n\nSynthesis of NC: As-synthesized ZIF-8 powders were placed in a tube furnace and heated to 800 \u00b0C for 2 h at a heating rate of 5 \u00b0Cmin -1 under flowing argon gas. After cooling down to room temperature naturally, the obtained products were then stirred in a 0.5 molL -1 H2SO4 solution at 80 \u00b0C for 8 h to remove metallic cations. The product was collected by filtration and washed several times with deionized water until neutral pH. Finally, the product was dried at 60 \u00b0C overnight and denoted as NC.\n\nSynthesis of Rh/NC: A certain amount of NC was dispersed in a mixed solution containing ethanol and water (v/v = 1:1) with stirring for 10 min. Then, a specific amount of RhCl3\u00b7xH2O solution was added to the above solution, followed by stirring for 2 h at room temperature. The product was collected by centrifugation and washed with deionized water three times and ethanol twice. Finally, the product was dried at 60 \u00b0C overnight and labeled as Rh/NC.",
+ "ground_truth": "Precursor synthesis: Commercial Vulcan XC-72R was first annealed in a tube furnace at 700 \u00b0C for 4 h under flowing 25 sccm ammonia gas with a heating rate of 3 \u00b0C min^-1 and cooled down naturally to room temperature.\nSAC synthesis: The synthesis of Rh@NC-B was analogous to Pt@NC-B except that the precursor was RhCl3\u00b7xH2O."
+ },
+ {
+ "id": 216,
+ "sac_id": "Atom: Ru\nSupport Material: N-doped carbon (NC)\nSynthesis Method: Mechanochemical\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ru\nSupport Material: N-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: Zn(NO3)2\u00b76H2O (1.069 g) was dissolved in N, N-Dimethylformamide (DMF) and methanol solution (10 mL, 1:1). A certain amount of metal precursors, including Ruthenium acetylacetonate (Ru_30nm) or Ruthenium nitrate (Ru), were dissolved in DMF (10 mL). Then the solution was mixed and stirred for 24 h at room temperature. It was subsequently washed (distilled water and ethanol twice) by a membrane centrifuge and dried at 80 \u00b0C overnight. It was then transferred into a tube furnace and pyrolyzed under Ar atmosphere with a ramp of 5 \u00b0C min -1 to 900 \u00b0C and kept for 3 h. The obtained black powder was etched to remove the excess ZIF-8 templates by HCl solution, followed by washing with deionized water and finally dried at 60 \u00b0C for 12 h.\n\nSynthesis of Ru/NC: The synthesized Ru/ZIF-67 was annealed under Ar flow at 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C min -1. The sample was etched by 1 M HNO3 for 24 h to obtain Ru/NC.",
+ "ground_truth": "Precursor synthesis: Commercial Vulcan XC-72R was first annealed in a tube furnace at 700 \u00b0C for 4 h under flowing 25 sccm ammonia gas with a heating rate of 3 \u00b0C min^-1 and cooled down naturally to room temperature.\nSAC synthesis: 75 mg NC and 3.1 mg RuCl3\u00b7xH2O were transferred into a zirconium dioxide capsule (25 mL) containing 8 g zirconium dioxide balls of 3 mm in diameter. The container was fixed in the thinky super mixer machine (AR-100) and agitated with 400 rpm for 20 min. The resulting product was RuCl3@NC-M."
+ },
+ {
+ "id": 217,
+ "sac_id": "Atom: Pt\nSupport Material: N-doped carbon (NC)\nSynthesis Method: Solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: N-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: Zn(NO3)2\u00b76H2O (1.069 g) was dissolved in N, N-Dimethylformamide (DMF) and methanol solution (10 mL, 1:1). A certain amount of homogenized ink (250 \u00b5L), containing different contents of Pt precursor (Pt(acac)2), was dropwise added into the above solution slowly under stirring conditions. Then, the solution was stirred for another 2 h at room temperature. Next, as-prepared solution was transferred into a Teflon-lined stainless steel autoclave, followed by heating at 140 \u00b0C for 4 h. After naturally cooling to room temperature, the product was separated by centrifugation, washed with ethanol three times, and dried at 70 \u00b0C for 12 h.\nSynthsis of Pt nanoparticles on NC supports (Pt@NC): The as-synthesized Pt nanoparticles (10 mg) were dispersed in a mixed solvent (10 mL) of ethanol and water (v/v = 1:1). Then, a certain amount of NC supports (200 mg) were added into the above solution under stirring at room temperature for 4 h. After that, the product was separated by centrifugation, washed with deionized water three times, and dried at 70 \u00b0C for 12 h.",
+ "ground_truth": "Precursor synthesis: Commercial Vulcan XC-72R was first annealed in a tube furnace at 700 \u00b0C for 4 h under flowing 25 sccm ammonia gas with a heating rate of 3 \u00b0C min^-1 and cooled down naturally to room temperature.\nSAC synthesis: Pt@NC-MB was acquired by applying NaBH4 solution to reduce K2PtCl4@NC-M."
+ },
+ {
+ "id": 218,
+ "sac_id": "Atom: Rh\nSupport Material: N-doped carbon (NC)\nSynthesis Method: Solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Rh\nSupport Material: N-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: ZIF-8 was prepared according to the reported method with slight modifications. 31 Specifically, Zn(NO3)2\u00b76H2O (0.495 g) and 2-methylimidazole (1.175 g) were dissolved in 50 mL methanol and stirred for 5 min. The mixture was then transferred into a Teflon-lined autoclave, which was subsequently heated at 120 \u00b0C for 4 h. The obtained product was further purified by washing with methanol thrice and dried at 60 \u00b0C overnight.\n\nSynthesis of NC: As-synthesized ZIF-8 powders were placed in a tube furnace and heated to 800 \u00b0C for 2 h at a heating rate of 5 \u00b0Cmin -1 under flowing argon gas. After cooling down to room temperature naturally, the obtained products were then stirred in a 0.5 molL -1 H2SO4 solution at 80 \u00b0C for 8 h to remove metallic cations. The product was collected by filtration and washed several times with deionized water until neutral pH. Finally, the product was dried at 60 \u00b0C overnight and denoted as NC.\n\nSynthesis of Rh/NC: A certain amount of NC was dispersed in a mixed solution containing ethanol and water (v/v = 1:1) with stirring for 10 min. Then, a specific amount of RhCl3\u00b7xH2O solution was added to the above solution, followed by stirring for 2 h at room temperature. The product was collected by centrifugation and washed with deionized water three times and ethanol twice. Finally, the product was dried at 60 \u00b0C overnight and labeled as Rh/NC.",
+ "ground_truth": "Precursor synthesis: Commercial Vulcan XC-72R was first annealed in a tube furnace at 700 \u00b0C for 4 h under flowing 25 sccm ammonia gas with a heating rate of 3 \u00b0C min^-1 and cooled down naturally to room temperature.\nSAC synthesis: The synthesis of Rh@NC-B was analogous to Pt@NC-B except that the precursor was RhCl3\u00b7xH2O."
+ }
+ ],
+ "10.1002_aenm.201801956": [
+ {
+ "id": 219,
+ "sac_id": "Atom: Co\nSupport Material: Carbon (C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Carbon (C)\n\n",
+ "predicted": "Precursor synthesis: 0.489 g of cobalt nitrate hexahydrate (Co(NO3)2\u00b76H2O, Alfa Aesar, 98%) was dissolved in 15 mL of ethylene glycol (EG, anhydrous, 99.8%, Sigma-Aldrich) at 70 \u00b0C by magnetic stirring for 1 h. Subsequently, the transparent solution was transferred into a Teflon autoclave with a volume of 30 mL and heated at 180 \u00b0C for 12 h. After cooling to room temperature, the obtained black powder was washed with absolute ethanol and distilled water several times and dried in vacuum at 60 \u00b0C overnight.\n\nSAC synthesis: The obtained precursors were subjected to a two-step pyrolysis process under N2 flow (50 mL/min). First step: from 25 to 600 \u00b0C with a rate of 2 \u00b0C/min, then 600 to 1000 \u00b0C with a rate of 3 \u00b0C/min, and maintained at 1000 \u00b0C for 2 h. The samples with different Co contents were named as Co-SAC-x, where x represents the mass fraction of Co in precursors.\n\nPost-treatment: No additional post-treatment was applied.",
+ "ground_truth": "Co-NC-900 was also prepared according to the similar procedure, where CoCl2 was used as metal precursor in place of FeCl3. In a typical procedure, 2 g D-glucosamine hydrochloride, ZnCl2 and CoCl2 were co-dissolved 20 mL colloidal silica suspension (2 g SiO2), where the mole ratio of glucosamine, ZnCl2 and CoCl2 is 10:2:1. After stirring for 10 min, the derived solution was then freeze-dried. After that, the obtained powder was then pyrolyzed under flowing nitrogen with a heating ramp rate of 5 \u00b0C/min to desired temperatures 900 \u00b0C and the temperature was kept for 2 h. Then hierarchically porous Co-NC-900 single-atom electrocatalysts were obtained after removal of templates by HF (10 wt. %) etching for 12 h at room temperature and the following freeze drying."
+ },
+ {
+ "id": 220,
+ "sac_id": "Atom: Fe\nSupport Material: Carbon (C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Carbon (C)\n\n",
+ "predicted": "Precursor synthesis: 1,4-Dihydroxybenzene (salicyaldehyde) and Iron(II) acetate were used as precursors.\nSynthesis: In a typical experiment, 1,4-dihydroxybenzene (mL, mmol) and Iron(II) acetate (g, mmol) were dissolved in ethanol (L). The resulting solution was evaporated at 70 \u00b0C to obtain solid powder. Then, the powder was transferred into a quartz boat and placed in a horizontal tube furnace. The sample was pyrolyzed at 800 \u00b0C for n h. After cooling down to room temperature, the black product was collected for further analysis.\nAnnealing: The pyrolysis process was carried out at 800 \u00b0C for 2 hours.",
+ "ground_truth": "In a typical procedure, 2 g D-glucosamine hydrochloride, ZnCl2 and FeCl3 were co-dissolved 20 mL colloidal silica suspension (2 g SiO2), where the mole ratio of glucosamine, ZnCl2 and FeCl3 is 10:2:1. After stirring for 10 min, the derived solution was then freeze-dried. After that, the obtained powder was then pyrolyzed under flowing nitrogen with a heating ramp rate of 5 \u00b0C/min to desired temperatures 900 \u00b0C and the temperature was kept for 2 h. Then hierarchically porous Fe-N-C-900 single-atom electrocatalysts were obtained after removal of templates by HF (10 wt. %) etching for 12 h at room temperature and the following freeze drying."
+ }
+ ],
+ "10.1002_anie.201309248": [
+ {
+ "id": 221,
+ "sac_id": "Atom: Ag\nSupport Material: Hollandite Manganese Oxide (HMO)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ag\nSupport Material: Hollandite Manganese Oxide (HMO)\n\n",
+ "predicted": "Precursor synthesis: Silver nanoparticles were prepared by the chemical reduction method. In a typical procedure, 10 mL of 0.05 mol L-1 NaBH4 solution was added into 90 mL of 0.025 mol L-1 AgNO3 under stirring at room temperature. After aging for 6 h, the resulting colloidal solution was washed with deionized water three times to remove excessive ions. Finally, the colloidal solution of Ag NPs was obtained with a concentration of 1.0 mg mL-1.\n\nSynthesis of Ag/HMO composites: The Ag/HMO composites were prepared by a facile one-step hydrothermal method. Typically, 1.0 g of HMO and desired amount of colloidal solution of Ag NPs were dispersed in 30 mL of deionized water under ultrasonic condition for 30 min. Then, the suspension was transferred into a Teflon-lined autoclave with a volume of 50 mL and kept at 180 \u00b0C for 12 h. After cooling down to room temperature naturally, the powder sample was collected by centrifugation and dried in vacuum at 60 \u00b0C overnight.\n\nCharacterization: XRD patterns of the samples were recorded on a Rigaku D/Max-RC diffractometer using Cu K\u03b1 radiation (\u03bb = 0.154 nm). SEM images were taken on a Hitachi S-4800 microscope operating at an accelerating voltage of 15 kV. TEM and HRTEM observations were performed on a JEOL JEM-2100 operated at an accelerating voltage of 200 kV. STEM images were acquired using a probe Cs-stabilizer operated at an accelerating voltage of 200 kV. EELS measurements were carried out using a Gatan Quantum spectrometer. Raman spectra were measured by a Renishaw inVia Raman Spectrometer using a laser wavelength of 532 nm. ICP-AES analyses were conducted on a PerkinElmer DELTA 300 instrument. UV-Vis diffuse reflectance spectra (DRUV) were recorded using a Shimadzu UV-3600 spectrophotometer equipped with an IRMS 714 integrating sphere.",
+ "ground_truth": "Precursor synthesis: For the synthesis of the HMO, an aqueous solution (75 mL) containing MnSO4\u00b7H2O (2.484 g) and KMnO4 (1.659 g) were put into a 100 mL Teflon-lined stainless steel autoclave, sealed and maintained at 160 o C for 24 h. The resulting black slurry was filtered, washed with deionized water, and then dried at 110 o C for 24 h, followed by being calcined at 500 o C in air for 6 h.\nSAC synthesis: The synthesis of the AgAOR-HMO sample was reported in our recent paper. [1] Briefly, the Ag/HMO was firstly prepared by using the redox reactions, and then dried at 80 o C for 24 h and calcined at 500 o C in air for 6 h to get the AgAOR-HMO sample."
+ }
+ ],
+ "10.1002_anie.201802231": [
+ {
+ "id": 222,
+ "sac_id": "Atom: Ni\nSupport Material: Carbon (C) with nitrogen (N) doping (Ni-N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Carbon (C) with nitrogen (N) doping (Ni-N-C)\n\n",
+ "predicted": "Precursor synthesis: In a typical experiment, 0.8 g of Zn(NO3)2 \u00b7 6H2O and 0.14 g of Ni(acac)2 were dissolved in 25 mL of methanol; then, 0.2 g of 2-methylimidazole was added in the above solution under stirring. After continuously stirring for 1 h at room temperature, the as-obtained precipitates were centrifuged and washed with ethanol several times and dried in vacuum at 70 \u00b0C overnight. The powder of ZIF-8@Ni was placed into a ceramic boat and heated to 900 \u00b0C with a heating rate of 5 \u00b0C min-1 and kept for 3 h in a tube furnace under flowing Ar gas. After the furnace was cooled down to room temperature, the obtained product was washed by diluted HCl solution and deionized water for several times and dried at 70 \u00b0C overnight.\n\nNP synthesis: For comparison, we also prepared N-doped carbon nanosheets without Zn species (denoted as NS). The preparation procedure is similar to that of Ni-ZIF/CN (without adding ZIF-8@Ni precursors) and other parameters are same as those used in the synthesis of Ni-ZIF/CN.",
+ "ground_truth": "Precursor synthesis: A certain amount of Ni(NO3)2\u00b76H2O (2.5 mmol) was added to 3.0 g ultrapure water and sonicated until Ni(NO3)2\u00b76H2O was dissolved completely, followed by the addition of 2 g active carbon (AC pretreated by strong nitric acid at 80 \u00b0C for 12 h). The mixture was evaporated slowly at room temperature for 12 h and the remaining solid was dried at 120 \u00b0C for 12 h. The solid was ground and transferred to a quartz boat in the oven and fluxed with H2 for 30 min. The oven was then heated to 300 \u00b0C in a hydrogen atmosphere at a ramp of 2 \u00b0C/min and held at 300 \u00b0C for 2 h. Prior to exposure to air, the as-prepared catalysts were passivated in a flow of 1% O2/N2 for 12 h. The resulting sample is denoted as Ni/AC.\nSAC synthesis: The synthesis procedure for Ni/AC is as described above."
+ },
+ {
+ "id": 223,
+ "sac_id": "Atom: Ni\nSupport Material: Active Carbon (AC)\nSynthesis Method: High temperature\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Active Carbon (AC)\n\n",
+ "predicted": "Precursor synthesis: 1.5 g of nickel nitrate and 0.5 g of silica were dissolved in 20 mL of water.\n\nSacrificial template synthesis: 1.0 g of polyvinylpyrrolidone (PVP, K85) was dissolved in 40 mL of DMF.\n\nImpregnation: The metal precursor solution was added dropwise to the PVP solution under continuous stirring for 3 h.\n\nCoagulation: The resulting mixture was coagulated by adding it dropwise into 400 mL of distilled water with vigorous stirring.\n\nDrying: The obtained xerogels were dried at 80 \u00b0C for 24 h.\n\nCalcination: The dried samples were calcined at 900 \u00b0C for 1 h under an Ar atmosphere with a heating rate of 5 \u00b0C min-1.\n\nElectrochemical test: The electrochemical measurements were conducted using a three-electrode system with 1.0 M PBS as the electrolyte. The prepared catalysts were used as the working electrodes, while a graphite rod and Ag/AgCl served as the counter electrode and reference electrode, respectively. Cyclic voltammetry (CV) was performed in the potential range from -0.1 V to 0.6 V to evaluate the catalytic activity of the catalysts. Linear sweep voltammetry (LSV) was carried out with a sweeping voltage of 10 mV s-1 from 0.10 to 0.55 V to determine the kinetic currents of the catalysts.",
+ "ground_truth": "Precursor synthesis: A certain amount of Ni(NO3)2\u00b76H2O (2.5 mmol) was added to 3.0 g ultrapure water and sonicated until Ni(NO3)2\u00b76H2O was dissolved completely, followed by the addition of 2 g active carbon (AC pretreated by strong nitric acid at 80 \u00b0C for 12 h). The mixture was evaporated slowly at room temperature for 12 h and the remaining solid was dried at 120 \u00b0C for 12 h. The solid was ground and transferred to a quartz boat in the oven and fluxed with H2 for 30 min. The oven was then heated to 300 \u00b0C in a hydrogen atmosphere at a ramp of 2 \u00b0C/min and held at 300 \u00b0C for 2 h. Prior to exposure to air, the as-prepared catalysts were passivated in a flow of 1% O2/N2 for 12 h. The resulting sample is denoted as Ni/AC.\nSAC synthesis: The synthesis procedure for Ni/AC is as described above."
+ }
+ ],
+ "10.1002_smll.202004583": [
+ {
+ "id": 224,
+ "sac_id": "Atom: Fe\nSupport Material: TiO2 hollow microspheres (TiO2-HMSs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: TiO2 hollow microspheres (TiO2-HMSs)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 1.0 g of NaCl and 0.5 g of PVP were dispersed in 30 mL of deionized water under magnetic stirring for 1 h. Then, 10 mL of aqueous solution containing 0.4 g of Ti(OBu)4 was added to the above mixture, and the mixture was stirred for another 1 h. Subsequently, 6 mL of HNO3 (0.1 mol/L) was dropped into the mixture under ultrasonic treatment for 10 min, followed by heating at 80 \u00b0C for 12 h. After cooling down to room temperature, the products were collected by centrifugation and washed with ethanol and deionized water several times. Finally, the NaCl template was removed from the products by calcination at 450 \u00b0C for 3 h in air. The obtained final products were recorded as NaCl@TiO2 precursors.\n\nSynthesis of solid spherical TiO2 microspheres: The solid spherical TiO2 microspheres were prepared by a similar procedure to that for the hollow ones except without adding NaCl in the precursor synthesis.\n\nSynthesis of hollow spherical TiO2 microspheres (TiO2-HMSs): The hollow spherical TiO2 microspheres were prepared by calcining the NaCl@TiO2 precursors at 950 \u00b0C for 5 h in air. Briefly, the NaCl@TiO2 precursors were first heated to 350 \u00b0C at a rate of 2 \u00b0C/min and then kept at this temperature for 1 h to remove the residual water and impurities. Subsequently, the temperature was raised to 950 \u00b0C at a rate of 3 \u00b0C/min and maintained at this temperature for 5 h. After cooling down naturally, the solid white powders were collected and washed with deionized water for several times to remove the NaCl templates. Finally, the samples were dried at 80 \u00b0C overnight.\n\nSynthesis of hollow spherical TiO2@Fe3O4 microspheres (TiO2@Fe3O4-HMSs): The hollow spherical TiO2@Fe3O4 microspheres were prepared by a facile one-pot hydrothermal method. Typically, 0.2 g of as-synthesized NaCl@TiO2 precursors, 0.1 g of FeCl3\u00b76H2O, and 0.1 g of CHI were dispersed in 20 mL of deionized water under magnetic stirring for 1 h. Then, the suspension was transferred to a Teflon-lined autoclave and heated at 180 \u00b0C for 12 h. After cooling down to room temperature, the product was collected by centrifugation and washed with deionized water and ethanol for several times to remove the unreacted raw materials. Finally, the product was dried at 80 \u00b0C overnight.\n\nModification of hollow spherical TiO2@Fe3O4 microspheres (TiO2@Fe3O4-HMSs): The modification process is similar to that for the hollow spherical TiO2 microspheres.",
+ "ground_truth": "Precursor synthesis: Iron dicarbonylcyclopentadiene (FeCH)\nSAC synthesis: Typically, 0.5 g of the prepared TiO2-HMSs were added into the DMF solution that has dissolved 50 mg of iron dicarbonylcyclopentadiene (FeCH). After magnetic stirring for 12 h, the suspensions were filtrated and washed firstly with DMF and then methanol for three times each. The obtained powders were drying (70\u00b0C, air, 4h) and calcined at 350\u00b0C for 2 h in a tube furnace (5 vol. % hydrogen and 95 vol. % argon). For comparison, a series of samples were also prepared under other identical conditions except the amount of FeCH, and the prepared photocatalysts are named as TFx, where 'T' and 'F' represent 'TiO2' and 'Fe', respectively, and 'x' represents the amount of the FeCH (Table S1). Note that TF0 sample is the pristine TiO2-HMSs that has also been similarly treated with DMF but in the absence of FeCH."
+ }
+ ],
+ "10.1002_anie.201902109": [
+ {
+ "id": 225,
+ "sac_id": "Atom: Zn\nSupport Material: N-C (Nitrogen-doped carbon)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Zn\nSupport Material: N-C (Nitrogen-doped carbon)\n\n",
+ "predicted": "Precursor synthesis: 1.0 g of Zn(NO3)2\u00b76H2O and 1.0 g of 2-methylimidazole were dissolved in 50 mL of methanol, respectively. After stirring for 30 min, the two solutions were mixed and stirred at room temperature for 24 h. The precipitate was collected by centrifugation, washed with methanol several times, and dried at 80 \u00b0C overnight to obtain ZIF-8.\nS synthesis: ZIF-8 precursor was heated to 950 \u00b0C (5 \u00b0C min -1 ) for 3 h under an Ar flow (100 sccm). The obtained material was washed with 2 M HCl solution to remove Zn nanoparticles, followed by washing with water and ethanol. Finally, the sample was dried at 80 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: ZnCl2 and o-phenylenediamine (oPD) were used as precursors.\nSAC synthesis: Preparation of Zn-N-C-X:\n- 8 g of ZnCl2 powder was dispersed in 10 mL 1M HCl at room temperature for 10 min.\n- 1 g of oPD (o-phenylenediamine) was dissolved in 12 mL 1M HCl.\n- The resulting oPD solution was added into the ZnCl2 solution with stirring at 0 \u2103 for 1 h.\n- 2.5 g of NH4S2O8 (ammonium persulfate) that dissolved in HCl (1 M, 4 mL) solution was added into the resulting solution and then stirred at 0 \u2103 for 2 h.\n- After the solution was stirred at room temperature for 24 h, the solution was placed in a petri dish at room temperature for 24 h.\n- The resulting solution was transferred into a muffle furnace, heated at 150 \u00b0C for 2 h, followed by cooling to room temperature.\n- The sample was transferred into a tubular furnace, heated at 400 \u2103 with a heating rate of 5 \u00ba/min and held at 400 \u2103 for 1 h, and then heated at 800 \u2103 with a heating rate of X (X=annealing rates, 0.5\u00ba/min, 1\u00ba/min, 3\u00ba/min, 5\u00ba/min 10\u00ba/min) and held at 800 \u2103 for 2 hours under flowing N2, followed by cooling to room temperature.\n- After the completion of the reaction, the catalysts were collected by acid washing in 1 M HCl at room temperature overnight, followed by centrifugation, washing with ultrapure water, and freeze-drying.\n- Before achieving the final products, the catalysts were carbonized for the second time at 900 \u2103 for 2 h with a heating rate of 5 \u2103 /min under flowing N2."
+ }
+ ],
+ "10.1002_adma.202000478": [
+ {
+ "id": 226,
+ "sac_id": "Atom: Ti\nSupport Material: Reduced Graphene Oxide (rGO)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ti\nSupport Material: Reduced Graphene Oxide (rGO)\n\n",
+ "predicted": "Precursor synthesis: The precursor of the NiTi-rGO was prepared by a similar procedure to that of NiTi/rGO, except for the absence of H2BO3\u00b7H2O.\n\nOther procedures: The precursors were annealed at 900 \u00b0C for 2 h under an Ar atmosphere with a ramping rate of 5 \u00b0C min -1 to yield the NiTi/rGO and NiTi-rGO.",
+ "ground_truth": "Precursor synthesis: Firstly, 500 mg graphite oxide (commercially available) and 200 mL deionized water were added into a 500 mL reactor, and the suspension was treated by ozone. The reaction time was 1 h, the oxygen flow rate was 1 L/min, and the ozone concentration was about 220 mg/L. The grey-black suspension in the reactor slowly changed to orange-yellow solution. The above solution was then poured into a 1000 mL rotary evaporator. When most of the water evaporates, the rest of the solid was dried at 120 \u2103 for 24 h.\nSAC synthesis: Then 200 mg of the as-prepared graphite oxide dispersed into 60 mL isopropanol under ultrasound. 4 \u03bcL titanium diisopropoxide bis(acetylacetonate) was added into the above solution under strong magnetic stirring, following by ultrasonic dispersion for 1 h and stirring for 20 h. The above mixture was then centrifuged and the precipitation was dried at 85 \u2103 in vacuum for 24 h, followed by calcination at 550 \u00b0C for 2 h in an atmosphere of high purity nitrogen. At last, titanium-based SAC - Ti1/rGO was obtained."
+ }
+ ],
+ "10.1002_adma.202004670": [
+ {
+ "id": 227,
+ "sac_id": "Atom: Fe\nSupport Material: Nitrogen-doped graphitic carbon (Fe-Nx/OC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Nitrogen-doped graphitic carbon (Fe-Nx/OC)\n\n",
+ "predicted": "Precursor synthesis: A mixture of FeCl2\u00b74H2O (0.5 mmol) and C6H8O7\u00b7H2O (1.5 mmol), 1,4-benzenedicarboxylic acid (1.5 mmol), and diphenyl ether (3 mL) was placed in a Pyrex tube. The mixture was heated at 120 \u00b0C for 3 h with five heating-cooling cycles. After cooling down to room temperature, the product was further heated up to 200 \u00b0C for 30 min under vacuum (\u2248 1 \u00d7 10^-3 mbar) to remove any physically adsorbed water molecules. After grinding into powder, the sample was heated up to 600 \u00b0C at a ramp rate of 2.5 \u00b0C min^-1 and kept at 600 \u00b0C for 2 h under argon flow. After naturally cooling down to room temperature, the resulting dark green powder was washed with deionized water followed by drying at 80 \u00b0C overnight.\n\nGas Sensing Measurement: The sensing properties of the samples were investigated using a gas sensing measurement system (Shanghai Chenhua CHI111). The prepared samples were loaded onto an alumina boat and then placed on top of a ceramic heater. The heater was set at 350 \u00b0C, and the response of the sensor was recorded after stabilization. The target gas was introduced from the bottom of the heater, and the concentration was controlled by a mass flow controller. The electrical signals of the samples were measured by a Keithley 2400 source meter unit. The resistance of the samples was measured by applying a DC voltage of 1 V, and the response (R/Ro) was calculated based on the change in resistance.",
+ "ground_truth": "Precursor synthesis: Monodisperse colloidal PS spheres with a diameter of ~270 nm were synthesized according to the reported work. The stabilizer in styrene monomer (30 mL) was removed via successively washing with 10 mL of 10 wt.% NaOH solution and ultrapure water. This styrene monomer was added to a round-bottomed flask (0.5 L) to mix with 250 mL water and 0.3 g PVP. After bubbling with nitrogen for 15 min, this mixture was fluxed at 75 \u00b0C for 15 min under N2 atmosphere, followed by the addition of 25 mL of aqueous solution containing 0.1 g K2S2O8 as initiator. The polymerization reaction lasted for 24 h with stirring (450 rpm) under N2 atmosphere. After the milk-liked product was cooled down, the monodispersed PS emulsion was obtained. The ordered PS template for PS with diameter of 270 nm, a well-knit filter cake, was finally obtained by a vacuum filtration process of these PS emulsion.\nSAC synthesis: 8.15 g of Zn(NO3)2\u00b76H2O, 100 mg Fe(NO3)3\u00b79H2O, and 6.75 g of 2-methylimidazole were dissolved into 45 mL of methanol solution. The ordered PS template (d = 270 nm) was immersed into this solution for 1 hour, and further treated with a vacuum degassing process for 10 min. After that, this impregnated PS template was taken out and dried at 50 \u00b0C for several hours, and then was transferred to immerse into a 50 mL mix solution of methanol and ammonia solution (2:1 v/v) to trigger the formation of ZIFs. After immersion for 24 hours, Fe-ZIF-8@PS embedded inside the PS monolith was formed. The Fe-Nx/OC was obtained by a calcination treatment of Fe-ZIF-8@PS at 1000 \u00b0C under Ar flow for 2 h in a tube furnace (heating rate of 5 \u00b0C min-1)."
+ },
+ {
+ "id": 228,
+ "sac_id": "Atom: Ni\nSupport Material: Nitrogen-doped graphitic carbon (Ni-Nx/OC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Nitrogen-doped graphitic carbon (Ni-Nx/OC)\n\n",
+ "predicted": "Precursor synthesis: 0.2 g glucose, 1.75 g dicyandiamide, and 0.15 g NiCl2 \u00b7 6H2O were dispersed in 30 mL deionized water and stirred for 12 h to get a homogeneous solution. The mixture was then dried at 80 \u00b0C overnight. The single solution precursor was ground into fine powder and placed in a tube furnace. It was heated to 800 \u00b0C with a heating rate of 5 \u00b0C min -1 under a flowing nitrogen atmosphere for 2 h. The obtained product was treated with 1 M HCl for 24 h at 80 \u00b0C to remove residual metallic Ni nanoparticles. After washing with deionized water several times, the final material was obtained.\n\nElectrochemical measurements: For half-cell assembly, the as-prepared C-Ni-Nx/OC, commercial Celgard 2400 separator, 1 M KOH electrolyte, and Pt foil were used as working electrode, working electrode, electrolyte, and counter electrode, respectively. ICP-AES analysis showed that the mass loadings of C-Ni-Nx/OC were about 0.3 mg per cm 2. The half-cell was kept in an argon-filled glove box for electrochemical measurements. Cyclic voltammetry (CV) was carried out in the potential range from 0.2 to 0.9 V vs. RHE with a scan rate of 5, 10, or 50 mV s -1. Chronoamperometry (CA) was performed at a constant potential of 0.3 V vs. RHE with a scan rate of 50 mV s -1. EIS was measured by applying an AC amplitude of 5 mV with a frequency ranging from 100 kHz to 1 Hz.",
+ "ground_truth": "Precursor synthesis: Monodisperse colloidal PS spheres with a diameter of ~270 nm were synthesized according to the reported work. The stabilizer in styrene monomer (30 mL) was removed via successively washing with 10 mL of 10 wt.% NaOH solution and ultrapure water. This styrene monomer was added to a round-bottomed flask (0.5 L) to mix with 250 mL water and 0.3 g PVP. After bubbling with nitrogen for 15 min, this mixture was fluxed at 75 \u00b0C for 15 min under N2 atmosphere, followed by the addition of 25 mL of aqueous solution containing 0.1 g K2S2O8 as initiator. The polymerization reaction lasted for 24 h with stirring (450 rpm) under N2 atmosphere. After the milk-liked product was cooled down, the monodispersed PS emulsion was obtained. The ordered PS template for PS with diameter of 270 nm, a well-knit filter cake, was finally obtained by a vacuum filtration process of these PS emulsion.\nSAC synthesis: 8.15 g of Zn(NO3)2\u00b76H2O, 100 mg Ni(NO3)2\u00b76H2O, and 6.75 g of 2-methylimidazole were dissolved into 45 mL of methanol solution. The ordered PS template (d = 270 nm) was immersed into this solution for 1 hour, and further treated with a vacuum degassing process for 10 min. After that, this impregnated PS template was taken out and dried at 50 \u00b0C for several hours, and then was transferred to immerse into a 50 mL mix solution of methanol and ammonia solution (2:1 v/v) to trigger the formation of ZIFs. After immersion for 24 hours, Ni-ZIF-8@PS embedded inside the PS monolith was formed. The Ni-Nx/OC was obtained by a calcination treatment of Ni-ZIF-8@PS at 1000 \u00b0C under Ar flow for 2 h in a tube furnace (heating rate of 5 \u00b0C min-1)."
+ },
+ {
+ "id": 229,
+ "sac_id": "Atom: Fe/Ni\nSupport Material: Nitrogen-doped graphitic carbon (Fe/Ni-Nx/OC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe/Ni\nSupport Material: Nitrogen-doped graphitic carbon (Fe/Ni-Nx/OC)\n\n",
+ "predicted": "Precursor synthesis: A mixture of FeCl2\u00b74H2O (0.5 mmol), Ni(CH3COO)2\u00b74H2O (0.5 mmol), and 1,10-phenanthroline (1.5 mmol) in EtOH (30 mL) was refluxed for 6 h. After evaporation of the solvent by rotary evaporator, the obtained dark green precipitate was collected and dried at 80 \u00b0C overnight. The as-obtained Fe/Ni-phen complex was then transferred into an alumina crucible and placed in a tube furnace under Ar gas flow. The precursor was heated to 900 \u00b0C with a heating rate of 5 \u00b0C min-1 and kept at 900 \u00b0C for 2 h. After cooling down to room temperature, the black powder was obtained and ground thoroughly before further use.\n\nElectrochemical measurements: A three-electrode system was used for electrochemical measurements, where the as-prepared electrocatalysts were loaded on carbon paper (CP, 20% porosity, 150 \u03bcm thickness, TGPV, Toray) with a mass loading of 1 mg cm-2, which was used as the working electrode; a piece of graphite carbon fiber was used as the counter electrode; and Ag/AgCl (3 M KCl) was used as the reference electrode. Linear sweep voltammetry (LSV) was performed in O2-saturated 0.5 M H2SO4 solution with a scan rate of 10 mV s-1. Chronoamperometry (CA) was conducted in Ar-saturated 0.5 M H2SO4 solution with a potential of -0.1 V (vs RHE) and a scan rate of 50 mV. Electrochemical impedance spectroscopy (EIS) measurements were carried out with an AC amplitude of 5 mV at 500 kHz superimposed on the open circuit potential (OCP). The double-layer capacitances (Cdl) were determined from the LSVs and used to plot the Tafel plots. The specific activity of the catalysts was evaluated by normalizing the current density to the number of electrons involved in the ORR process (i.e., dividing by 4). The turnover frequency (TOF) was calculated using the equation: TOF = kapp \u00d7 [C] where kapp is the apparent first-order rate constant, [C] is the concentration of the metal catalyst, and i is the current density. The number of metal atoms in the catalyst was estimated based on the ICP-OES results.",
+ "ground_truth": "Precursor synthesis: Monodisperse colloidal PS spheres with a diameter of ~270 nm were synthesized according to the reported work. The stabilizer in styrene monomer (30 mL) was removed via successively washing with 10 mL of 10 wt.% NaOH solution and ultrapure water. This styrene monomer was added to a round-bottomed flask (0.5 L) to mix with 250 mL water and 0.3 g PVP. After bubbling with nitrogen for 15 min, this mixture was fluxed at 75 \u00b0C for 15 min under N2 atmosphere, followed by the addition of 25 mL of aqueous solution containing 0.1 g K2S2O8 as initiator. The polymerization reaction lasted for 24 h with stirring (450 rpm) under N2 atmosphere. After the milk-liked product was cooled down, the monodispersed PS emulsion was obtained. The ordered PS template for PS with diameter of 270 nm, a well-knit filter cake, was finally obtained by a vacuum filtration process of these PS emulsion.\nSAC synthesis: 8.15 g of Zn(NO3)2\u00b76H2O, 100 mg Fe(NO3)3\u00b79H2O, 100 mg Ni(NO3)2\u00b76H2O, and 6.75 g of 2-methylimidazole were dissolved into 45 mL of methanol solution. The ordered PS template (d = 270 nm) was immersed into this solution for 1 hour, and further treated with a vacuum degassing process for 10 min. After that, this impregnated PS template was taken out and dried at 50 \u00b0C for several hours, and then was transferred to immerse into a 50 mL mix solution of methanol and ammonia solution (2:1 v/v) to trigger the formation of ZIFs. After immersion for 24 hours, Fe, Ni-ZIF-8@PS embedded inside the PS monolith was formed. The Fe-Ni/Nx-OC was obtained by a calcination treatment of Fe, Ni-ZIF-8@PS at 1000 \u00b0C under Ar flow for 2 h in a tube furnace (heating rate of 5 \u00b0C min-1)."
+ }
+ ],
+ "10.1002_adma.201901024": [
+ {
+ "id": 230,
+ "sac_id": "Atom: Pd\nSupport Material: Mesoporous nitrogen-doped carbon foam nanospheres (MPNC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: Mesoporous nitrogen-doped carbon foam nanospheres (MPNC)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 0.2 g of PVP and 1 mL of H2PdCl4 (1 mg mL-1) were added into 5 mL of DI water to form solution A. Then, 3 mL of DI water containing 0.6 g of NaBH4 was added dropwise to form solution B. Subsequently, the solution B was kept stirring for 8 h at room temperature. Finally, the solution B was centrifuged and rinsed with DI water three times to remove residual NaBH4. The obtained precipitate was dispersed in 1 M HCl solution and stirred overnight to remove PVP. After that, the product was collected by centrifugation, washed with ethanol, and dried under vacuum at 70 \u00b0C for 12 h. The as-obtained products were denoted as Pd@PVP.\n\nSynthesis of mesoporous nitrogen-doped carbon foam nanospheres coated with Pd nanoparticles (MPNC): Typically, ZIF-8 and Pd@PVP were mixed with different mass ratios (1:0.5, 1:1, 1:1.5), ground in a mortar, and then calcined at 900 \u00b0C for 3 h under NH3 atmosphere. The resulting powders were labeled as MPNC-1, MPNC, and MPNC-2, respectively.\n\nPost-treatment: To obtain mesoporous nitrogen-doped carbon foam nanospheres coated with Pd nanoparticles (MPNC), the mixture of ZIF-8 and Pd@PVP was calcined at 900 \u00b0C for 3 h under NH3 atmosphere.",
+ "ground_truth": "Precursor synthesis: Aniline hydrochloride (3.24 g, 25 mmol) was dissolved in 75 mL ethanol aqueous solution (50 mL ethanol mixed with 25 water) under stirring conditions. 25 mL of 0.5 M APS aqueous solution was added. The polymerization was carried out at room temperature for 20 h. The product, ES-PANI, was centrifuged and washed with deionized water and ethanol. The resulting ES-PANI was converted into EB-PANI by treatment with 1 M aqueous ammonia solution. Lewis acid doping of EB-PANI with Pd(CH3CN)2Cl2 was carried out in nitromethane. The product M-PANI was collected by centrifugation, washed by nitromethane, and dried at 80 \u00b0C for overnight. A thin layer of silica was added to the surfaces of M-PANI to prevent aggregation. The resultant M-PANI@SiO2 was pyrolyzed at 800 \u00b0C for 3 h under inert argon atmosphere. The heat-treated sample, M/CN@SiO2, was then soaked in 3 M NaOH H2O/EtOH (v: v = 1: 1) solution at 100 \u00b0C overnight to remove the silica. The resultant M/CN was washed with copious deionized water and ethanol, and vacuum dried at room temperature.\nSAC synthesis: The same procedure as for the ISA-Pd/MPNC sample, but with an initial atomic ratio of Pd/PANI of 1/20."
+ },
+ {
+ "id": 231,
+ "sac_id": "Atom: Cu\nSupport Material: Mesoporous nitrogen-doped carbon foam nanospheres (MPNC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: Mesoporous nitrogen-doped carbon foam nanospheres (MPNC)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 0.2 g of CuCl\u2082\u00b72H\u2082O and 1 g of trimesic acid were dissolved in 5 mL DI water to form a clear solution. Then the solution was transferred into a Teflon autoclave with a volume of 20 mL and kept at 180 \u00b0C for 6 h. After cooling down to room temperature, the obtained product was collected by centrifugation and further purified by washing with DI water several times. Suspensions were then dried using freeze drying technique. The as-obtained precursors are denoted as CuTMA.\nDopant introduction: 0.1 g of CuTMA and 0.3 g of melamine were separately ground together and then calcinated at 900 \u00b0C under NH\u2083 flow for 2 h with a heating rate of 5 \u00b0C min\u207b\u00b9. The resulting black powder was etched by HCl solution (1 M) for 48 h to remove excess metal species. Afterwards, the black powders were filtered and washed by DI water before being dried at 60 \u00b0C overnight. The final product was labeled as MPNC-Cu.\nFabrication of electrodes: Typically, 75 mg of MPNC-Cu, 25 mg of Super P, and 10 mg of PVDF were dispersed into 10 mL DMF under sonication. Then the mixture was stirred overnight before it was transferred into a plastic bag and vacuumed by a mechanical pump for about 20 minutes. The slurry was filled back into the bag and mixed thoroughly. The slurry was finally coated onto carbon cloth (1 \u00d7 3 cm\u00b2) by doctor blade method with a loading of 0.5 mg per cm\u00b2. The as-prepared electrodes were dried at 60 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: Aniline monomer (0.4 g) was added to distilled water (100 mL) containing silica nanoparticles (1.6 g). Aqueous HCl solution (1.2 M) was added dropwise to the solution until the pH was 3, and stirred for 1 h under vigorous stirring. (NH4)2S2O8 (ammonium persulfate, APS, 0.52 g), dissolved in distilled water (4 mL), was added to the aniline/silica solution. The polymerization was carried out at room temperature for 12 h. The product, silica-PANI core-shell nanoparticle, was obtained by centrifugation and washed with deionized water and ethanol. The resultant silica-PANI core-shell nanoparticle was converted to SiO2@EB-PANI by a deprotonation process in 1 M aqueous ammonia solution. After stirring for 12 h at room temperature, the product SiO2@EB-PANI was collected by centrifugation, washed by deionized water, and dried at 80 \u00b0C for overnight. 450 mg of SiO2@EB-PANI (containing 200 mg PANI polymer) was added to 20 mL of acetonitrile. 0.01 mmol of anhydrous CuCl2 was added into this solution. After stirring for 12 h at room temperature, the product SiO2@M-PANI was collected by centrifugation, washed by acetonitrile, and dried at 80 \u00b0C for overnight. SiO2@M-PANI was pyrolyzed at 800 \u00b0C for 3 h under inert argon atmosphere. The heat-treated sample, SiO2@M/CN, was then soaked in 3 M NaOH H2O/EtOH (v: v = 1: 1) solution at 100 \u00b0C overnight to remove the silica template. The final M/CN was washed with copious deionized water and ethanol, and vacuum dried at room temperature.\nSAC synthesis: The same procedure as for the ISA-Pd/MPNC sample, but with an initial atomic ratio of Cu/PANI of 2/200 and using acetonitrile and anhydrous CuCl2 as solvent and metal precursor, respectively."
+ },
+ {
+ "id": 232,
+ "sac_id": "Atom: Pt\nSupport Material: Mesoporous nitrogen-doped carbon foam nanospheres (MPNC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Mesoporous nitrogen-doped carbon foam nanospheres (MPNC)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 0.5 g of PVP and 2 mL of ammonium hydroxide solution were added into 100 mL of deionized water under ultrasonication for 30 min to obtain a homogeneous transparent solution. Then, 0.8 mL of tetraethyl orthosilicate was added dropwise into the above solution followed by stirring for another 30 min. Subsequently, the mixture was transferred into a Teflon-lined autoclave and heated at 60 \u00b0C for 4 h. After cooling down to room temperature, the as-obtained product was centrifuged with deionized water for several times and dried in vacuum at 70 \u00b0C overnight.\n\nSynthesis of SiO2@PDA spheres: The SiO2@PDA spheres were prepared using an in situ polymerization method. Briefly, 0.1 g of dopamine hydrochloride was dissolved in 10 mL of deionized water containing 0.2 g of SiO2 nanospheres. After stirring for 30 min, the mixture was transferred into a Teflon-lined autoclave and heated at 45 \u00b0C for 6 h. Finally, the as-obtained product was collected by centrifugation with deionized water and dried in vacuum at 70 \u00b0C overnight.\n\nPreparation of SiO2@PDA/SiO2@PtNPs composite foams: A piece of SiO2@PDA@SiO2 composite foam was first immersed into 20 mL of H2PtCl6\u00b76H2O solution (1 mM) in a glass vial. After soaking for 10 min, the foam was taken out and rinsed thoroughly with deionized water. This process was repeated three times to ensure complete removal of residual plating solution. Finally, the foam was dried in vacuum at 70 \u00b0C overnight.\n\nCarbonization of SiO2@PDA@SiO2@PtNPs foam: The PtNCs/MPNC foam was obtained by heating the dried foam in a tube furnace at 900 \u00b0C for 2 h under N2 atmosphere with a flow rate of 50 mL min-1.",
+ "ground_truth": "Precursor synthesis: Aniline monomer (0.4 g) was added to distilled water (100 mL) containing silica nanoparticles (1.6 g). Aqueous HCl solution (1.2 M) was added dropwise to the solution until the pH was 3, and stirred for 1 h under vigorous stirring. (NH4)2S2O8 (ammonium persulfate, APS, 0.52 g), dissolved in distilled water (4 mL), was added to the aniline/silica solution. The polymerization was carried out at room temperature for 12 h. The product, silica-PANI core-shell nanoparticle, was obtained by centrifugation and washed with deionized water and ethanol. The resultant silica-PANI core-shell nanoparticle was converted to SiO2@EB-PANI by a deprotonation process in 1 M aqueous ammonia solution. After stirring for 12 h at room temperature, the product SiO2@EB-PANI was collected by centrifugation, washed by deionized water, and dried at 80 \u00b0C for overnight. 450 mg of SiO2@EB-PANI (containing 200 mg PANI polymer) was added to 20 mL of acetonitrile. 0.01 mmol of cis-Pt(CH3CN)2Cl2 was added into this solution. After stirring for 12 h at room temperature, the product SiO2@M-PANI was collected by centrifugation, washed by acetonitrile, and dried at 80 \u00b0C for overnight. SiO2@M-PANI was pyrolyzed at 800 \u00b0C for 3 h under inert argon atmosphere. The heat-treated sample, SiO2@M/CN, was then soaked in 3 M NaOH H2O/EtOH (v: v = 1: 1) solution at 100 \u00b0C overnight to remove the silica template. The final M/CN was washed with copious deionized water and ethanol, and vacuum dried at room temperature.\nSAC synthesis: The same procedure as for the ISA-Pd/MPNC sample, but with an initial atomic ratio of Pt/PANI of 1/200 and using acetonitrile and cis-Pt(CH3CN)2Cl2 as solvent and metal precursor, respectively."
+ },
+ {
+ "id": 233,
+ "sac_id": "Atom: Pd\nSupport Material: non-MPNC\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: non-MPNC\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 10 mmol of Na2CO3 was dissolved in 40 mL deionized water under magnetic stirring. After 5 min, 0.6 mmol of Zn(NO3)2\u00b76H2O and 0.2 mmol of Pd(ACAC)2 were added to the solution. The mixture was stirred for another 5 min followed by the addition of 4 mL of ammonia solution (25% wt.). The final solution was then transferred into a Teflon-lined autoclave with a volume of 80 mL and kept at 95 \u00b0C for 12 h. After cooling down to room temperature, the white precipitate was collected by centrifugation, washed three times with ethanol and dried at 60 \u00b0C overnight to obtain the Pd/Zn-ZIF.\nSynthesis: Palladium nanoparticles decorated on nitrogen-doped carbon nanosheets (Pd-CN) were prepared through a one-step microwave-assisted hydrothermal method using Pd/Zn-ZIF as precursors. Typically, 0.1 g Pd/Zn-ZIF powder was dispersed in 20 mL mixed solution containing ethanol and water (volume ratio, 3:1) under sonication for 1 h. Then, 1 mL of hydrochloric acid (37%) was dropped into the suspension under vigorous stirring for another 30 min before being transferred to a Teflon-lined autoclave with a volume of 80 mL and heated in a conventional oven at 180 \u00b0C for 12 h. Subsequently, the obtained sample was quickly cooled to room temperature and then washed with deionized water and ethanol twice, respectively, before being dried at 60 \u00b0C overnight. Finally, the dried powder was subjected to microwave irradiation at 100 \u00b0C for 10 min (ManBeam 300 W, 2.45 GHz). The as-obtained product is denoted as Pd-CN.",
+ "ground_truth": "Precursor synthesis: Aniline hydrochloride (3.24 g, 25 mmol) was dissolved in 75 mL ethanol aqueous solution (50 mL ethanol mixed with 25 water) under stirring conditions. 25 mL of 0.5 M APS aqueous solution was added. The polymerization was carried out at room temperature for 20 h. The product, ES-PANI, was centrifuged and washed with deionized water and ethanol. The resulting ES-PANI was converted into EB-PANI by treatment with 1 M aqueous ammonia solution. Lewis acid doping of EB-PANI with Pd(CH3CN)2Cl2 was carried out in nitromethane. The product M-PANI was collected by centrifugation, washed by nitromethane, and dried at 80 \u00b0C for overnight. A thin layer of silica was added to the surfaces of M-PANI to prevent aggregation. The resultant M-PANI@SiO2 was pyrolyzed at 800 \u00b0C for 3 h under inert argon atmosphere. The heat-treated sample, M/CN@SiO2, was then soaked in 3 M NaOH H2O/EtOH (v: v = 1: 1) solution at 100 \u00b0C overnight to remove the silica. The resultant M/CN was washed with copious deionized water and ethanol, and vacuum dried at room temperature.\nSAC synthesis: The same procedure as for the ISA-Pd/MPNC sample, but with an initial atomic ratio of Pd/PANI of 1/20."
+ }
+ ],
+ "10.1002_adma.201903955": [
+ {
+ "id": 234,
+ "sac_id": "Atom: Ni\nSupport Material: Nitrogen-doped graphene (NG)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Nitrogen-doped graphene (NG)\n\n",
+ "predicted": "Precursor synthesis: The nitrogen source was added to the graphene dispersed in ethanol under ultrasonication for 30 min. The mixture was heated at 120 \u00b0C for 6 h with continuous stirring. The solid product was collected by filtration and dried at 80 \u00b0C overnight. Subsequently, the powder was annealed at 750 \u00b0C for 2 h under an Ar atmosphere at a rate of 5 \u00b0Cmin^-1. The resulting material was denoted as NG.\n\nSynthesis of Ni-N@NG: The Ni foam (1 \u00d7 2 cm^2) was ultrasonicated in acetone, ethanol, and DI water for 15 min each before use. It was then treated with hydrochloric acid (HCl, 1 mol L^-1) for 1 h, rinsed thoroughly with DI water, and finally dried at 60 \u00b0C. 40 mg of graphene oxide (GO) was dispersed in 40 mL of DI water under ultrasonication for 30 min. 2 mL of NiCl2\u00b76H2O solution (2 mg mL^-1) was added dropwise to the GO suspension with continuous stirring. The mixture was sonicated for 1 h, and the viscous liquid was frozen using liquid nitrogen. After freeze-drying, the obtained aerogel was annealed at 750 \u00b0C for 2 h under an Ar atmosphere at a rate of 5 \u00b0Cmin^-1. Finally, the sample was etched in 0.5 M H2SO4 at 60 \u00b0C for 24 h to remove excess metal nanoparticles, yielding Ni-N@NG. The Ni foam loaded with Ni-N@NG is referred to as Ni-N@NG/Ni.",
+ "ground_truth": "Precursor synthesis: 0.25 g glucose and 5.0 g dicyandiamide were dissolved in deionized water and 2 mL (0.0125 M) NiCl2\u00b76H2O salt solution was added dropwise into the mixed solution. Then, the mixture solution was stirred and heated at 80 \u00b0C to get the precursor.\nSAC synthesis: The precursor was further annealed at 900 \u00b0C in Ar atmosphere for 2 h and the Ni@NG was successfully obtained."
+ }
+ ],
+ "10.1002_anie.202011358": [
+ {
+ "id": 235,
+ "sac_id": "Atom: P\nSupport Material: Mo2C-CS\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: P\nSupport Material: Mo2C-CS\n\n",
+ "predicted": "Precursor synthesis: The Mo-P alloy was prepared by a conventional melting method. In detail, high purity molybdenum (99.99 wt%, 0.3-0.5 mm, Aladdin) and phosphorus (99.99 wt%, powder, Aladdin) were weighed according to the stoichiometric ratio of Mo4P and then melted in an evacuated quartz tube at 1073 K for 12 h. Subsequently, the excessive phosphorus was removed by centrifuging at 8000 rpm for 5 min, and the remaining Mo-P alloy was ground into fine powders.\n\nSynthesis of Mo2C-CS: Typically, the as-prepared Mo-P alloy powders were placed at the center of a chemical vapor deposition (CVD) furnace, and the furnace was heated to 1673 K with a heating rate of 10 o C/min under a N2 atmosphere. After 2 h reaction, the furnace was naturally cooled down to room temperature. Then, the preoxidized sample was etched in 1 M HCl solution for 24 h to remove the excessive MoO3. Finally, the etched sample was washed thoroughly by distilled water and dried in an oven at 60 o C for 12 h.\n\nElectrochemical measurements: The electrochemical measurements were conducted using a three-electrode system with a CHI 660E electrochemical workstation. A Mo2C-CS electrode was used as the working electrode, while a saturated calomel electrode (SCE) and a graphite rod were employed as the reference and counter electrodes, respectively. For the linear sweep voltammetry (LSV), cyclic voltammetry (CV) and chronopotentiometry (CP) tests, the potentials of the working electrode were scanned from -0.2 V to -0.6 V (vs SCE) with a scan rate of 5 mV s -1 for three cycles, and the potential was modulated from -0.2 V to -0.6 V (vs SCE) with a constant current density of -2 mA cm -2 for 10 s, respectively.",
+ "ground_truth": "Precursor synthesis: Maize straw was cut into about 2 cm, washed with deionized water, and dried at 60\u00b0C for 10 h. The dried maize straw was calcined in a tube furnace under an Ar atmosphere at 900\u00b0C to acquire intermediate products (carbon nanosheets). The intermediate products were evenly mixed with ammonium molybdate in a molar ratio of 1:2 using ethanol. The Mo2C-CS was synthesized in an Ar atmosphere at 900\u00b0C in a tube furnace.\nSAC synthesis: The prepared Mo2C-CS is synthesized based on the temperature-programmed process under PH3 atmosphere at 600\u00b0C for 5 h."
+ },
+ {
+ "id": 236,
+ "sac_id": "Atom: P\nSupport Material: Mo2C-CS\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: P\nSupport Material: Mo2C-CS\n\n",
+ "predicted": "Precursor synthesis: The Mo-P alloy was prepared by a conventional melting method. In detail, high purity molybdenum (99.99 wt%, 0.3-0.5 mm, Aladdin) and phosphorus (99.99 wt%, powder, Aladdin) were weighed according to the stoichiometric ratio of Mo4P and then melted in an evacuated quartz tube at 1073 K for 12 h. Subsequently, the excessive phosphorus was removed by centrifuging at 8000 rpm for 5 min, and the remaining Mo-P alloy was ground into fine powders.\n\nSynthesis of Mo2C-CS: Typically, the as-prepared Mo-P alloy powders were placed at the center of a chemical vapor deposition (CVD) furnace, and the furnace was heated to 1673 K with a heating rate of 10 o C/min under a N2 atmosphere. After 2 h reaction, the furnace was naturally cooled down to room temperature. Then, the preoxidized sample was etched in 1 M HCl solution for 24 h to remove the excessive MoO3. Finally, the etched sample was washed thoroughly by distilled water and dried in an oven at 60 o C for 12 h.\n\nElectrochemical measurements: The electrochemical measurements were conducted using a three-electrode system with a CHI 660E electrochemical workstation. A Mo2C-CS electrode was used as the working electrode, while a saturated calomel electrode (SCE) and a graphite rod were employed as the reference and counter electrodes, respectively. For the linear sweep voltammetry (LSV), cyclic voltammetry (CV) and chronopotentiometry (CP) tests, the potentials of the working electrode were scanned from -0.2 V to -0.6 V (vs SCE) with a scan rate of 5 mV s -1 for three cycles, and the potential was modulated from -0.2 V to -0.6 V (vs SCE) with a constant current density of -2 mA cm -2 for 10 s, respectively.",
+ "ground_truth": "Precursor synthesis: Maize straw was cut into about 2 cm, washed with deionized water, and dried at 60\u00b0C for 10 h. The dried maize straw was calcined in a tube furnace under an Ar atmosphere at 900\u00b0C to acquire intermediate products (carbon nanosheets). The intermediate products were evenly mixed with ammonium molybdate in a molar ratio of 1:2 using ethanol. The Mo2C-CS was synthesized in an Ar atmosphere at 900\u00b0C in a tube furnace.\nSAC synthesis: The prepared Mo2C-CS is synthesized based on the temperature-programmed process under PH3 atmosphere at 600\u00b0C for 5 h."
+ }
+ ],
+ "10.1002_adma.201806312": [
+ {
+ "id": 237,
+ "sac_id": "Atom: Fe\nSupport Material: N-doped carbon hollow nanospheres (N-C HNSs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: N-doped carbon hollow nanospheres (N-C HNSs)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 20 mL of ethanol solution containing Zn(NO3)2\u00b76H2O (1.984 g) and Cu(acac)2 (57 mg) was stirred for 10 min; then, 20 mL of ethanol containing 400 \u03bcL of 2-methylimidazole was added and stirred for another 10 min. Subsequently, the above mixture solution was transferred into a Teflon-lined stainless steel autoclave and heated at 120 \u00b0C for 4 h. After cooling to room temperature, the obtained precipitates were centrifuged and washed with ethanol for three times. Finally, the resulting product was dried in vacuum at 70 \u00b0C overnight.\nSynthesis of Cu/Zn-ZIF-8@polypyrrole nanocages: The preparation process is similar to that of Fe/Cu-ZIF-8@polypyrrole nanocages, except that Zn(NO3)2\u00b76H2O (0.12 g) was replaced by Cu(acac)2 (57 mg).\nN-doping and carbonization: The precursors of Cu/Zn-PPy nanocages were calcined at 900 \u00b0C under N2 atmosphere for 3 h in a tubular furnace with a heating rate of 5 \u00b0C min-1. After cooling to room temperature naturally, the final products of N-C HNSs@Cu/Zn-NSs were obtained.",
+ "ground_truth": "Precursor synthesis: SiO2 nanospheres with an average diameter of 150 nm were initially prepared according to the modified st\u00f6ber method. The resultant SiO2 nanospheres (0.5 g) were dispersed in 100 mL of 0.5 M NaCl solution by sonication for 0.5 h, followed by the addition of 0.75 g of PDDA. The suspension was kept stirring for 1 h. After that, the PDDA-modified SiO2 nanospheres were washed by H2O and harvested by centrifugation to remove the excess PDDA. At this stage, the surface of SiO2 nanospheres was modified by a layer of PDDA molecules. By repeating the similar process, the PDDA-modified SiO2 nanospheres were further coated by layers of PSS, PDDA, and PSS successively, resulting in the formation of negatively charged PDDA/PSS/PDDA/PSS-modified SiO2 nanospheres.\nSAC synthesis: Subsequently, 300 mg of the surface-modified SiO2 nanospheres were ultrasonically dispersed into 10 mL of deionized water containing 200 mg of Fe(NO3)3\u00b79H2O for 10 min, forming a uniform suspension. Then 155 mg of histidine was introduced into the above suspension with stirring for 30 min. Afterwards, the obtained suspension was vacuum-dried at 80 \u00baC, followed by heat treatment at 800 \u00baC for 4 h under an Ar atmosphere. The obtained product was leached in HF overnight and then washed to neutral to acquire the final Fe-N-C HNSs catalysts. For comparison, porous Fe-N-C sample was also prepared using the above procedure, except the employment of surface-modified SiO2 nanospheres."
+ }
+ ],
+ "10.1002_anie.202009776": [
+ {
+ "id": 238,
+ "sac_id": "Atom: Pt\nSupport Material: CeO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: CeO2\n\n",
+ "predicted": "Precursor synthesis: The Pt/CeO2 catalysts were prepared by incipient wetness impregnation using chloroplatinic acid as the noble metal precursor. After impregnation, the samples were dried at 100 \u00b0C for 12 h and calcined in static air at 500 \u00b0C for 3 h with a ramp rate of 5 \u00b0C/min.\n\nMain text synthesis: The CO oxidation reaction was carried out over the supported Pt catalysts. A quartz reactor was used to perform the catalytic activity tests. Prior to the experiments, the reactor was purged with He and then filled with the appropriate amount of CO (1% in He) and allowed to equilibrate. The reactor temperature was raised to the desired reaction temperature and held there using a furnace-controlled oven. Once isothermal conditions were reached, the sample was exposed to the reactant mixture for 1 h while stirring. The sample was then purged with He and cooled to room temperature. The reactant gas was analyzed by gas chromatography to determine the conversion of CO. The conversion was calculated based on the concentration difference between the reactant and product gases.",
+ "ground_truth": "Precursor synthesis: Commercial \u03b3alumina (99.97%, Alfa Aesar) was reduced under 10% H2/N2 flow at 350 \u00b0C for 1 h to create Al 3+ penta sites, which are known to be strong anchoring sites. [2] Then, 10 wt% of ceria and 1 wt% of Pt were sequentially impregnated to the activated \u03b3-alumina. Ce(NO3)3\u00b76H2O (99.99%, Kanto chemical) 38 mg was homogeneously dissolved in 5 mL of deionized (DI) water, and then the activated \u03b3-alumina 133.5 mg was introduced into the cerium precursor solution with vigorous stirring at room temperature for 1 h. For Pt impregnation, 4 mg of chloroplatinic acid (H2PtCl6\u00b76H2O, \u2264 100%, Sigma-Aldrich) was homogeneously dissolved in 5 mL of DI water. The chloroplatinic acid solution was put into the above ceria-alumina solution at 80 \u00b0C with vigorous stirring, and then solution was completely evaporated under stirring. The resultant powder was dried overnight at 80 \u00b0C, and the dried powder was ground and calcined in static air at 500 \u00b0C for 5 h (Pt Cal). Finally, the calcined sample was reduced in 10% H2/N2 at various temperatures from 100 to 600 \u00b0C for 2 h, producing Pt 100, Pt 200, Pt 300, Pt 400, Pt 500, and Pt 600, respectively. Chlorine in chloroplatinic acid was surely removed during the calcination at 500 \u00b0C and the reduction at 100-600 \u00b0C. [3]"
+ },
+ {
+ "id": 239,
+ "sac_id": "Atom: Pt\nSupport Material: CeO2-Al2O3\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: CeO2-Al2O3\n\n",
+ "predicted": "Precursor synthesis: The Ce(NO3)3\u00b76H2O solution (1.0 mL, 45.6 wt.%) was added dropwise to the Al(NO3)3\u00b79H2O solution (9.0 mL, 38.2 wt.%). After stirring for 3 h, the precipitates were obtained and washed with deionized water. The precipitates were then dried at 100 \u00b0C for 12 h and calcined at 500 \u00b0C for 2 h in air.\n\nCAT analysis: The prepared CeO2-Al2O3 sample was reduced by H2 flow at 300 \u00b0C for 1 h and then sulfided by 10 vol% H2S in BUT for 2 h. The resulting sample is referred to as S-CeO2-Al2O3. A total of 0.05 g of the catalysts was loaded into a fixed-bed reactor, which was purged with He for 15 min before reaction. The reaction started by injecting 60 \u03bcmol of CO2 into the reactor at room temperature and atmospheric pressure. The effluent gas was analyzed using a gas chromatograph (Agilent 7890B) equipped with a TCD detector and a capillary column (HP-Plot Q, 30 m \u00d7 0.25 mm \u00d7 0.25 \u03bcm). The CH4 and C2+ products were analyzed by an online gas chromatography system (Agilent 7890B) equipped with a TCD detector and a capillary column (HP-Plot Q, 30 m \u00d7 0.25 mm \u00d7 0.25 \u03bcm). The oven temperature was programmed from 40 to 70 \u00b0C at 5 \u00b0C/min for CH4 and from 40 to 120 \u00b0C at 10 \u00b0C/min for C2+.",
+ "ground_truth": "Precursor synthesis: Commercial \u03b3alumina (99.97%, Alfa Aesar) was reduced under 10% H2/N2 flow at 350 \u00b0C for 1 h to create Al 3+ penta sites, which are known to be strong anchoring sites. [2] Then, 10 wt% of ceria and 1 wt% of Pt were sequentially impregnated to the activated \u03b3-alumina. Ce(NO3)3\u00b76H2O (99.99%, Kanto chemical) 38 mg was homogeneously dissolved in 5 mL of deionized (DI) water, and then the activated \u03b3-alumina 133.5 mg was introduced into the cerium precursor solution with vigorous stirring at room temperature for 1 h. For Pt impregnation, 4 mg of chloroplatinic acid (H2PtCl6\u00b76H2O, \u2264 100%, Sigma-Aldrich) was homogeneously dissolved in 5 mL of DI water. The chloroplatinic acid solution was put into the above ceria-alumina solution at 80 \u00b0C with vigorous stirring, and then solution was completely evaporated under stirring. The resultant powder was dried overnight at 80 \u00b0C, and the dried powder was ground and calcined in static air at 500 \u00b0C for 5 h (Pt Cal). Finally, the calcined sample was reduced in 10% H2/N2 at various temperatures from 100 to 600 \u00b0C for 2 h, producing Pt 100, Pt 200, Pt 300, Pt 400, Pt 500, and Pt 600, respectively. Chlorine in chloroplatinic acid was surely removed during the calcination at 500 \u00b0C and the reduction at 100-600 \u00b0C. [3]"
+ }
+ ],
+ "10.1002_cctc.201701777": [
+ {
+ "id": 240,
+ "sac_id": "Atom: Pt\nSupport Material: MoO3 /C0 x\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: MoO3 /C0 x\n\n",
+ "predicted": "Precursor synthesis: The commercial Ketjenblack EC-600J (KB) was washed with HNO3 solution and then with deionized water until the pH of the supernatant reached 7. After drying at 120 \u00b0C for 24 h, KB@C0 x was obtained.\nSynthesis of Pt/MoO3@C0 x : In a typical procedure, 5 mL of H2PtCl6 solution (1 mg mL\u22121) was added dropwise into 50 mL of 0.1 mol L\u22121 NaOH solution containing 0.5 g of MoO3 nanosheets and 0.1 g of KB@C0 x. The mixture was stirred vigorously at room temperature for 3 h. After centrifugation, the precipitates were washed with deionized water and ethanol three times, respectively. Finally, the product was dried at 80 \u00b0C under vacuum overnight.\n\nXPS analysis: XPS spectra were recorded using an XPS system (PHI Quantera SCM, USA). All binding energy values are referenced to the C 1 s peak at 284.8 eV.\n\nRaman spectroscopy: Raman spectra were measured by a Renishaw inVia Raman Spectrometer with a laser wavelength of 532 nm.\n\nTEM and EDS analysis: TEM images were taken on a JEOL JEM-2100F transmission electron microscope operated at 200 kV. EDS elemental mapping was performed using an Oxford X-Max 20 silicon drift detector.\n\nElectrochemical measurements: Electrochemical tests were conducted in a standard three-electrode system (CHI 760E, Shanghai CH Instruments) with a rotating ring-opening flow cell (RROFC). ICP-AES (PerkinElmer ICPE-9000 X Series) was used to determine the metal loading of the catalysts.",
+ "ground_truth": "Precursor synthesis: A typical process is as follows. MoS2 powder (100 mg) was dispersed in the aqueous solution (10 ml) with ethanol volume fraction of 45% and sonicated for 4h to form homogeneous solution. Then the solution was dried in oven at the constant temperature of 60 \u2103. Preprocessed MoS2 was annealed at 350 \u2103 for 90 min in the air, the heating procedure is 10 \u2103 per minute. The obtained product was dispersed in a 45% ethanol/water mixture (10 ml) and subsequently was sonicated for 60 min to achieve the good dispersion. Then the dispersion was quickly transferred into the supercritical CO2 apparatus composed mainly of a stainless steel autoclave with a heating jacket and a temperature controller. The autoclave was first heated to 80 \u2103, and then CO2 was charged into reactor to the desired pressure (16 MPa). After a reaction of 180 min, CO2 was slowly released. Then the dispersion was centrifuged at 6000 rpm for 15 min to remove aggregates at room temperature, and the supernatant was collected.\nSAC synthesis: The blue initial supernatant was dried in vacuum oven, then the powder (10 mg) was redispersed in the deionized water (10 ml) with bath-sonication. Then 66 uL solution of hexachloroplatinic acid (46.6 mM/L) was added into the solution, and it was stirred at room temperature for 3 h under dark conditions. The yellow Pt1/MoO3-x product was dried in vacuum oven, and used for characterizations and catalysis tests. For comparison study, the dispersion was stirred 1h then subjected to the Xenon lamp irradiation treatment (power of 300 mW/cm 2) at 0 \u2103 for 1h under stirring condition. The blue product was dried in vacuum oven for characterizations."
+ }
+ ],
+ "10.1002_cctc.201900547": [
+ {
+ "id": 241,
+ "sac_id": "Atom: Pd\nSupport Material: Mesoporous carbon (MPC)\nSynthesis Method: Hybrid electrochemical high-temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: Mesoporous carbon (MPC)\n\n",
+ "predicted": "Precursor synthesis: The mesoporous silica (MPS) was synthesized by using tetraethyl orthosilicate (TEOS) as a silica source and block copolymer poly(styrene-blockco-ethylene oxide) (PS-b-PEO) as a structure directing agent. The synthesis of MPS was carried out in a solvent of n-pentane at 100 \u00b0C for 24 h. The obtained white powder was collected after the solvent was evaporated and dried at 60 \u00b0C for 24 h. The MPS sample was then calcined at 900 \u00b0C under an Ar flow to obtain mesoporous carbon (MPC).\n\nSynthesis of Pd nanoparticles on MPC: The Pd/MPC samples were prepared by the chemical reduction method. In a typical procedure, 50 mg of MPC was dispersed in 30 mL of deionized water with stirring for 30 min. Then, 1.0 mL of H2PdCl4 solution (0.05 mol\u00b7L-1) was added into the above mixture under stirring for 2 h. After that, 10 mL of NaBH4 solution (0.5 mol\u00b7L-1) was added dropwise into the above suspension under vigorous stirring for another 8 h. The resulting product was separated by centrifugation and then washed three times with deionized water. Finally, the Pd/MPC samples were obtained by freeze drying.\n\nAnnealing treatment of Pd/MPC: To investigate the effect of annealing temperature on the morphology evolution of Pd/MPC, the as-prepared Pd/MPC samples were annealed at different temperatures (from 700 to 1000 \u00b0C) for 2 h in an Ar atmosphere. The heating rate was controlled at 5 \u00b0C per minute. The obtained products were denoted as Pd/MPC-T (T = 700, 800, 900, and 1000 \u00b0C), respectively.",
+ "ground_truth": "Precursor synthesis: Graphene oxide (GO) was synthesized according to the modified Hummer's method. A mixture of concentrated H2SO4:H3PO4 (360:40 cm 3 ) was added to graphite flakes (natural, 325 mesh, 99.8%) and KMnO4 (18 g) and heated to 323 K for 15 h. The mixture was cooled with ice and poured onto ice (400 g) containing H2O2 (3 cm 3 , 35 wt.%). The resultant brown solid was separated by centrifugation and successively washed with water (200 cm 3 ), HCl (200 cm 3 , 30 wt.%), and ethanol (2\u00d7200 cm 3 ). The remaining material was re-dispersed in deionized water and freeze-dried to obtain GO.\nSAC synthesis: The RGO (0.5 g) was mixed with water (20 cm 3 ) and sonicated for 1 h. An aqueous Pd(NH3)4(NO3)2 solution (5 wt.% Pd, 0.05 cm 3 ) was added and stirred overnight. The resulting dispersion was heated at 338 K until the solvent completely evaporated. The resulting powder was heated to 573 K (5 Kmin GLYPH<0> 1 ) for 5 h in an IR tubular oven under N2 flow."
+ },
+ {
+ "id": 242,
+ "sac_id": "Atom: Pd\nSupport Material: Carbon nanofibers (CNF)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: Carbon nanofibers (CNF)\n\n",
+ "predicted": "Precursor synthesis: The carbon nanofibers (CNF) support was prepared by the same method as that of MOF-5-like structures, except for no addition of TCPP. Specifically, 1.0 g of PMMA and 0.8 g of DMDA were dissolved in 75 mL DMF with stirring for 3 h to form a homogeneous solution. Then, 0.6 g of DMDA was added into the solution, which was stirred for another 3 h. Subsequently, the polymerization was carried out at room temperature for 24 h under N2 atmosphere. After that, the as-prepared sample was washed with DMF and methanol several times and dried at 60 \u00b0C overnight. Finally, the dried sample was pyrolyzed at 900 \u00b0C for 1 h with a heating rate of 5 \u00b0C min -1 under Ar flow.\n\nSynthesis of Pd/CNF catalysts: The preparation procedure of Pd/CNF catalysts is similar to that of Pd/MOF-like structures.",
+ "ground_truth": "Precursor synthesis: Graphene oxide (GO) was synthesized according to the modified Hummer's method. A mixture of concentrated H2SO4:H3PO4 (360:40 cm 3 ) was added to graphite flakes (natural, 325 mesh, 99.8%) and KMnO4 (18 g) and heated to 323 K for 15 h. The mixture was cooled with ice and poured onto ice (400 g) containing H2O2 (3 cm 3 , 35 wt.%). The resultant brown solid was separated by centrifugation and successively washed with water (200 cm 3 ), HCl (200 cm 3 , 30 wt.%), and ethanol (2\u00d7200 cm 3 ). The remaining material was re-dispersed in deionized water and freeze-dried to obtain GO.\nSAC synthesis: The RGO (0.5 g) was mixed with water (20 cm 3 ) and sonicated for 1 h. An aqueous Pd(NH3)4(NO3)2 solution (5 wt.% Pd, 0.05 cm 3 ) was added and stirred overnight. The resulting dispersion was heated at 338 K until the solvent completely evaporated. The resulting powder was heated to 573 K (5 Kmin GLYPH<0> 1 ) for 5 h in an IR tubular oven under N2 flow."
+ },
+ {
+ "id": 243,
+ "sac_id": "Atom: Pd\nSupport Material: Exfoliated carbon nitride (ECN)\nSynthesis Method: Hybrid electrochemical high-temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: Exfoliated carbon nitride (ECN)\n\n",
+ "predicted": "Precursor synthesis: Carbon nitride was prepared by the thermal polymerization of melamine in a muffle furnace at 550 \u00b0C for 4 h with a ramping rate of 5 \u00b0C/min.\n\nPd nanoparticle loading on ECN: In a typical procedure, 1 g melamine was dispersed into 20 mL deionized water under ultrasonication to form a homogeneous mixture solution. Then, 30 mg palladium chloride (PdCl2) was added into the above solution and stirred vigorously for 6 h. The resulting suspension was heated to 80 \u00b0C and then dried using rotary evaporation to obtain a powder. Subsequently, the powder was ground together with sodium borohydride (NaBH4) in an agate mortar until no visible powder remained. Finally, the obtained powder was washed with deionized water several times and dried overnight in a vacuum oven at 70 \u00b0C to yield the final product.\n\nECN photocatalyst preparation: First, 0.2 g melamine was mixed with 0.2 g cyanamide and 0.2 g urea in a beaker containing 10 mL of deionized water. Afterwards, the mixture was heated to 90 \u00b0C under magnetic stirring until complete dissolution. Then, the solution was transferred into a Teflon-lined autoclave and heated at 180 \u00b0C for 12 h. After cooling down to room temperature, the solid precipitate was collected by centrifugation, washed with deionized water three times, and dried overnight in a vacuum oven at 70 \u00b0C to obtain the ECN.",
+ "ground_truth": "Precursor synthesis: Graphene oxide (GO) was synthesized according to the modified Hummer's method. A mixture of concentrated H2SO4:H3PO4 (360:40 cm 3 ) was added to graphite flakes (natural, 325 mesh, 99.8%) and KMnO4 (18 g) and heated to 323 K for 15 h. The mixture was cooled with ice and poured onto ice (400 g) containing H2O2 (3 cm 3 , 35 wt.%). The resultant brown solid was separated by centrifugation and successively washed with water (200 cm 3 ), HCl (200 cm 3 , 30 wt.%), and ethanol (2\u00d7200 cm 3 ). The remaining material was re-dispersed in deionized water and freeze-dried to obtain GO.\nSAC synthesis: The RGO (0.5 g) was mixed with water (20 cm 3 ) and sonicated for 1 h. An aqueous Pd(NH3)4(NO3)2 solution (5 wt.% Pd, 0.05 cm 3 ) was added and stirred overnight. The resulting dispersion was heated at 338 K until the solvent completely evaporated. The resulting powder was heated to 573 K (5 Kmin GLYPH<0> 1 ) for 5 h in an IR tubular oven under N2 flow."
+ },
+ {
+ "id": 244,
+ "sac_id": "Atom: Pd\nSupport Material: Reduced graphene oxide (RGO)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: Reduced graphene oxide (RGO)\n\n",
+ "predicted": "Precursor synthesis: The Pd precursor was used without any specific synthesis steps.\n\nRGO synthesis: GO was prepared from graphite powder by a modified Hummers' method. In brief, 2 g of GO was dispersed in 50 mL of deionized water and stirred for 24 h. Then, 1 mmol of PdCl2 was added to the GO solution and stirred for another 8 h. After that, the mixed solution was sonicated for 3 h under an Ar atmosphere. Subsequently, the solution was freeze-dried for 72 h to obtain a PdCl2@RGO aerogel. Finally, the PdCl2@RGO aerogel was heated at 600 \u00b0C for 2 h under an Ar flow with a heating rate of 2 \u00b0C min-1.",
+ "ground_truth": "Precursor synthesis: Graphene oxide (GO) was synthesized according to the modified Hummer's method. A mixture of concentrated H2SO4:H3PO4 (360:40 cm 3 ) was added to graphite flakes (natural, 325 mesh, 99.8%) and KMnO4 (18 g) and heated to 323 K for 15 h. The mixture was cooled with ice and poured onto ice (400 g) containing H2O2 (3 cm 3 , 35 wt.%). The resultant brown solid was separated by centrifugation and successively washed with water (200 cm 3 ), HCl (200 cm 3 , 30 wt.%), and ethanol (2\u00d7200 cm 3 ). The remaining material was re-dispersed in deionized water and freeze-dried to obtain GO.\nSAC synthesis: The RGO (0.5 g) was mixed with water (20 cm 3 ) and sonicated for 1 h. An aqueous Pd(NH3)4(NO3)2 solution (5 wt.% Pd, 0.05 cm 3 ) was added and stirred overnight. The resulting dispersion was heated at 338 K until the solvent completely evaporated. The resulting powder was heated to 573 K (5 Kmin GLYPH<0> 1 ) for 5 h in an IR tubular oven under N2 flow."
+ }
+ ],
+ "10.1002_anie.202003208": [
+ {
+ "id": 245,
+ "sac_id": "Atom: Pt\nSupport Material: TiO2(B) nanosheets\nSynthesis Method: Photochemical\nCatalysis Type: Organic\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: TiO2(B) nanosheets\n\n",
+ "predicted": "Precursor synthesis: The Pt/TiO2 catalysts were prepared by the deposition-precipitation method. Briefly, 1 g of TiO2(B) was dispersed in 80 mL of distilled water; then, a certain amount of H2PtCl6 solution (1 mg mL-1) was added and stirred at room temperature for 8 h. After that, the precipitates were collected and washed with distilled water until the pH reached neutrality, and dried at 80 \u00b0C overnight. Finally, the obtained powders were calcined at 350 \u00b0C for 4 h to obtain Pt/TiO2 samples.\n|<|end>|<|end>|",
+ "ground_truth": "Precursor synthesis: Not applicable.\n\nSAC synthesis: 0.15 wt% Pt/rutile catalyst was prepared by electrostatic adsorption (SEA) method reported in the literature. [2] 1 g rutile support was dissolved in the mixture of 25 mL ultrapure water and 75 mL of NH4OH. 10 mg of TAPN was dissolved in 5 mL of ultrapure water. 1.8 mL TAPN solution was added to 25 mL NH4OH. Then the TAPN solution was dropwise added to the support suspension. The final solution was heated to 70 \u00b0C until completely dried. After calcined in 450 \u00b0C for 4 hours, the Pt/rutile-C catalyst was obtained."
+ },
+ {
+ "id": 246,
+ "sac_id": "Atom: Pt\nSupport Material: Rutile TiO2\nSynthesis Method: High temperature\nCatalysis Type: Organic\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Rutile TiO2\n\n",
+ "predicted": "Precursor synthesis: The Pt/TiO2 catalysts were prepared by incipient wetness impregnation of 1.0 wt% Pt on rutile TiO2 (Sigma-Aldrich, particle size \u2248 0.3 -0.5 mm). Prior to metal loading, the TiO2 support was calcined at 450 \u00b0C for 6 h in static air and then sieved to uniform particles (< 0.3 mm). After impregnation, the samples were dried at 80 \u00b0C overnight and then calcined at 450 \u00b0C for 6 h in static air. Prior to CO oxidation activity measurements, the samples were pretreated with 1% O2 in He at 250 \u00b0C for 2 h to ensure full reduction.",
+ "ground_truth": "Precursor synthesis: Not applicable.\n\nSAC synthesis: 0.15 wt% Pt/rutile catalyst was prepared by electrostatic adsorption (SEA) method reported in the literature. [2] 1 g rutile support was dissolved in the mixture of 25 mL ultrapure water and 75 mL of NH4OH. 10 mg of TAPN was dissolved in 5 mL of ultrapure water. 1.8 mL TAPN solution was added to 25 mL NH4OH. Then the TAPN solution was dropwise added to the support suspension. The final solution was heated to 70 \u00b0C until completely dried. After calcined in 450 \u00b0C for 4 hours, the Pt/rutile-C catalyst was obtained."
+ }
+ ],
+ "10.1002_adfm.202000407": [
+ {
+ "id": 247,
+ "sac_id": "Atom: Pd\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 1,10-phenanthroline (200 mg), Zn(OAc)2 (540 mg), and Pd(acac)2 (100 mg) were added to a mixed solution of THF (30 mL) and methanol (60 mL). After stirring for 1 h, a THF solution (12 mL) containing phenylboronic acid (470 mg) was added. The mixture was stirred for another 18 h at room temperature. Then, the product was obtained by filtration, subsequently washed with THF, methanol, and DI water, and dried at 60 \u00b0C for 12 h to produce Pd-BUTOF.\nSynthesis of Pd/NC: In a typical procedure, a piece of Pd-BUTOF was placed in a tube furnace, heated from room temperature to 900 \u00b0C over 2 h under a N2 flow, and then kept at 900 \u00b0C for 2 h. Finally, the sample was cooled down to room temperature in 2 h under a N2 flow. The resulting black sample was ground into powder and etched in 1 M H2SO4 solution at 80 \u00b0C for 12 h to remove metal particles.",
+ "ground_truth": "Precursor synthesis: Glucose (0.25 g) and dicyandiamide (DICY, 5 g) were dissolved in deionized water (200 mL, > 18.0 m\u03a9), and 2 mL of the Pd salt aqueous solution (H2PdCl4, 0.0125 m) was added dropwise into the mixed solution. The obtained mixture was heated at 80 \u00b0C with continuous stirring to evaporate water, and the final solid product was ground into powder to be a sample precursor.\nSAC synthesis: The final sample was obtained through annealing the precursor at 900 \u00b0C with a ramping rate of 3 \u00b0C min-1 for 2 h in an Argon atmosphere."
+ }
+ ],
+ "10.1002_adfm.201702546": [
+ {
+ "id": 248,
+ "sac_id": "Atom: Co\nSupport Material: ZIF-67\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: ZIF-67\n\n",
+ "predicted": "Precursor synthesis: The Co(NO3)2\u00b76H2O and 2-methylimidazole were dissolved in methanol.\n\nZIF-67 synthesis: The solution containing Co(NO3)2\u00b76H2O and 2-methylimidazole was stirred at room temperature for 12 hours. The resulting solids were collected by centrifugation, washed with methanol, and dried at 80\u00b0C for 12 hours.\n\nPyrolysis: The synthesized ZIF-67 powder was placed in a tube furnace and heated to 900\u00b0C under an Ar flow (50 mL min\u22121) for 2 h to obtain the Co-NC sample.",
+ "ground_truth": "Precursor synthesis: The ZIF-67 was synthesized according to the literature. In brief, 1.455 g cobalt nitrate hexahydrate (Co(NO3)2\u00b76H2O) was dissolved in 80 mL methanol. Another solution with 80 mL methanol and 1.642 g 2-methylimidazole (MeIM) was slowly added to the above Co(NO3)2 solution under stirring for 30 s. The whole mixture was kept at room temperature for 24 h silently. ZIF-67 was obtained by centrifugation and washing with methanol for five times and dried at 60 \u00b0C in a vacuum oven.\nSAC synthesis: For the O2-plasma treatment, the RF power of 200 W was applied, and the pressure was controlled at 120 Pa, and the treating time was 1 h. Different treating times were also conducted to optimize the OER performance. For the reference sample, pure ZIF-67 was placed in a tube furnace and annealed at 800 \u00b0C under N2 with a heating rate of 5 \u00b0C min-1 for 2 h, and after the tube furnace cooled to room temperature, pyrolyzed ZIF-67 was obtained."
+ }
+ ],
+ "10.1002_anie.201906289": [
+ {
+ "id": 249,
+ "sac_id": "Atom: Fe\nSupport Material: N/C\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: N/C\n\n",
+ "predicted": "Precursor synthesis: 1.0 g of Zn(NO3)2\u00b76H2O and 1.5 g of 2-methylimidazole were dissolved in 40 mL of methanol, respectively. The clear solutions were mixed under vigorous stirring for 6 h at room temperature. The mixture was then centrifuged at 10000 rpm for 5 min to obtain the white precipitates. The obtained precipitates were washed with methanol three times and dried at 70 \u00b0C under vacuum overnight.\n\nAnnealing: The as-prepared ZIF-8 was heated to 900 \u00b0C with a rate of 5 \u00b0C min^-1 and kept for 3 h under Ar flowing. The obtained sample was marked as C-900.\n\nTreatment: The obtained C-900 was etched by 0.5 M H2SO4 at 80 \u00b0C for 12 h. The obtained sample was denoted as C-900-H.",
+ "ground_truth": "Precursor synthesis: 2-methylimidazole (6.5 g) was dissolved in 80 mL methanol, followed by the addition of 40 mL methanol containing 3.0 g of Zn(NO3)2\u00b76H2O. After stirring at room temperature for 24 h, the white crystal of ZIF-8 was isolated by centrifugation, washed thrice with ethanol, and then dried at 60\u00b0C for 12 h. Typically, 7 mg of FeCl3\u00b76H2O was dissolved into 40 ml ethanol, and then 300 mg of the as-prepared ZIF-8 was added under sonication for 5 min. The mixture was stirred at room temperature for 18 h, followed by centrifugation and washing thrice with ethanol and drying at 60 \u00b0C for 12 h. The obtained light green powder was marked as Fe-ZIF. The content of Fe in Fe-ZIF detected by ICP was 0.36 wt%.\nSAC synthesis: The Fe-ZIF powder was heat-treated in Ar atmosphere at 850-1050 \u00b0C for 1 h with a heating rate of 5 \u00b0C min-1 and then naturally cooled to room temperature. The carbonized material was then etched by diluted HCl solution for 12 h to remove unstable metal species. After filtration, copious washing with deionized water and drying, the final product was obtained and denoted as Fe/N/C-X, where X represents the applied annealing temperature (\u00b0C)."
+ },
+ {
+ "id": 250,
+ "sac_id": "Atom: Cr\nSupport Material: N/BP\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cr\nSupport Material: N/BP\n\n",
+ "predicted": "Precursor synthesis: The B-containing MOF crystals were prepared by mixing the ligand 4,4'-biphenyldicarboxylic acid with CuBr2 in DMF under ultrasonication for 5 min. Following, the mixture was heated at 120 \u00b0C for 24 h in a Teflon-lined autoclave and grown by slow evaporation method at room temperature. N-containing MOF crystals were synthesized using the same protocol except for replacing CuBr2 with a mixture of CuI and urea (molar ratio = 1 : 2). The molar ratio of the ligand and metal cations is 10 : 1.\n\nSynthesis of N/BP-900 crystals: The powder XRD pattern of as-synthesized N/BP-900 crystals matches well with the simulated pattern of N/BP-900 within a residual of Rwp = 3.7% + 0.6%. Single crystal XRD analysis reveals that the structure of N/BP-900 crystals is isostructural to N/BP-800. Elemental analysis results show that the C, H, N, O, and Br contents are 38.7%, 2.2%, 14.1%, 34.1%, and 10.9 wt %, respectively.",
+ "ground_truth": "Precursor synthesis: 2-methylimidazole (6.5 g) was dissolved in 80 mL methanol, followed by the addition of 40 mL methanol containing 3.0 g of Zn(NO3)2\u00b76H2O. After stirring at room temperature for 24 h, the white crystal of ZIF-8 was isolated by centrifugation, washed thrice with ethanol, and then dried at 60\u00b0C for 12 h. Typically, 10 mg of CrCl3\u00b76H2O was dissolved into 40 ml ethanol, and then 300 mg of the as-prepared ZIF-8 was added under sonication for 5 min. The mixture was stirred at room temperature for 18 h, followed by centrifugation and washing thrice with ethanol and drying at 60 \u00b0C for 12 h. The obtained light green powder was marked as Cr-ZIF. The content of Cr in Cr-ZIF detected by ICP was 0.62 wt%.\nSAC synthesis: The Cr-ZIF powder was heat-treated in Ar atmosphere at 850-1050 \u00b0C for 1 h with a heating rate of 5 \u00b0C min-1 and then naturally cooled to room temperature. The carbonized material was then etched by diluted HCl solution for 12 h to remove unstable metal species. After filtration, copious washing with deionized water and drying, the final product was obtained and denoted as Cr/N/C-X, where X represents the applied annealing temperature (\u00b0C). Low-Cr/N/C-950 and High-Cr/N/C-950 were prepared with 5 mg and 20 mg of CrCl3\u00b76H2O added into the precursor, respectively."
+ },
+ {
+ "id": 251,
+ "sac_id": "Atom: Cr\nSupport Material: N/C\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cr\nSupport Material: N/C\n\n",
+ "predicted": "Precursor synthesis: 1.0 g of Zn(NO3)2\u00b76H2O and 4.5 mmol of CuCl2 were dissolved in 80 mL of methanol under stirring to form a homogeneous green solution. Then, 7.9 mmol of 2-methylimidazole was added into the green solution under stirring for another 5 minutes at room temperature. Subsequently, the mixture was transferred into a Teflon-lined stainless steel autoclave and kept at 120 \u00b0C for 4 hours. After cooling to ambient temperature, the obtained products were collected by centrifugation and washed with ethanol several times.\nS synthesis: The Cu,Zn-ZIF precursors were dried in a vacuum oven at 80 \u00b0C overnight. Finally, they were calcined at 950 \u00b0C for 3 h under an Ar flow (100 sccm).\nXAFS data acquisition and processing: XAFS measurements were carried out at the BL13B1 beamline of Shanghai Synchrotron Radiation Facility (SSRF), China. The energy was calibrated using a Cu metal foil. All spectra were processed using iSALE 3.1 software (BL13B1 instrumental software package). A k3 weighting was applied and the Fourier transform (FT)-filtered function was used for fitting. The first shell structure was fitted simultaneously using ATHENA 1.2.4.103 (EXAFS analysis program) and Artemis 1.2.4.103 (Fourier analysis program) in the EXAFS analysis package. The background was eliminated by a third-order polynomial.",
+ "ground_truth": "Precursor synthesis: 2-methylimidazole (6.5 g) was dissolved in 80 mL methanol, followed by the addition of 40 mL methanol containing 3.0 g of Zn(NO3)2\u00b76H2O. After stirring at room temperature for 24 h, the white crystal of ZIF-8 was isolated by centrifugation, washed thrice with ethanol, and then dried at 60\u00b0C for 12 h. Typically, 10 mg of CrCl3\u00b76H2O was dissolved into 40 ml ethanol, and then 300 mg of the as-prepared ZIF-8 was added under sonication for 5 min. The mixture was stirred at room temperature for 18 h, followed by centrifugation and washing thrice with ethanol and drying at 60 \u00b0C for 12 h. The obtained light green powder was marked as Cr-ZIF. The content of Cr in Cr-ZIF detected by ICP was 0.62 wt%.\nSAC synthesis: The Cr-ZIF powder was heat-treated in Ar atmosphere at 850-1050 \u00b0C for 1 h with a heating rate of 5 \u00b0C min-1 and then naturally cooled to room temperature. The carbonized material was then etched by diluted HCl solution for 12 h to remove unstable metal species. After filtration, copious washing with deionized water and drying, the final product was obtained and denoted as Cr/N/C-X, where X represents the applied annealing temperature (\u00b0C). Low-Cr/N/C-950 and High-Cr/N/C-950 were prepared with 5 mg and 20 mg of CrCl3\u00b76H2O added into the precursor, respectively."
+ }
+ ],
+ "10.1002_smll.201603407": [
+ {
+ "id": 252,
+ "sac_id": "Atom: Co\nSupport Material: Carbon Nanotube Aerogels (CNTAs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Carbon Nanotube Aerogels (CNTAs)\n\n",
+ "predicted": "Precursor synthesis: The CNTAs was prepared by the same procedure as mentioned in our previous work, [27] except for the addition of CoCl2\u00b76H2O (10 mg). Briefly, 3.5 mL of NaCl solution and 1.5 mL of ethanol were added into 25 mL of GO suspension (2 mg mL-1) and sonicated for ca. 30 min to obtain a bifunctional surfactant system. Then, 2 mL of CoCl2\u00b76H2O aqueous solution (0.1 mg mL-1) was added dropwise into the above solution under vigorous stirring. Afterwards, the mixed solution was transferred into a Teflon-lined autoclave, sealed and heated at 180 \u00b0C for 4 h. When the reaction mixture was cooled down naturally to room temperature, the compressed CNTA was obtained and washed with DI water several times to remove NaCl residues. Finally, the CNTA was dried at 60 \u00b0C overnight in vacuum to yield the final product.",
+ "ground_truth": "Precursor synthesis: Te nanowires were synthesized according to our previous reports. [1] Typically, 0.8 g PVP was dissolved in 25 mL of double-distilled water under vigorous magnetic stirring to form a homogeneous solution at room temperature. Then, 0.1335 g of Na2TeO3 was added into the previous solution and dissolved, followed by the addition of hydrazine hydrate (1.25 mL) and 2.45 mL of an ammonia solution. After thoroughly mixing, the solution was transferred into a Teflon-lined stainless steel autoclave and maintained at 180 \u00b0C for 4 h in a forced air oven (Fisher Scientific Isotemp). Finally, the product was centrifuged with acetone, washed with double-distilled water, and dissolved in 100 mL water.\nSAC synthesis: In a typical procedure, 2.32 mmol Dglucosamine hydrochloride and 0.464 mmol cobalt nitrate hexahydrate were co-dissolved in 25 mL Te nanowire solution. After stirring for 10 min, the derived solution was transferred into a Teflon-lined stainless steel autoclave and subjected to hydrothermal treatment at 180 \u00b0C for 15 h. The resultant hydrogel was soaked in distilled water to remove impurities for several times and then freeze dried. After that, the products were annealed at 900 \u00b0C in N2 for 2 h with a heating rate of 5 \u00b0C min -1 from room temperature to obtain final product Co-N-CNTAs-5-900."
+ },
+ {
+ "id": 253,
+ "sac_id": "Atom: Fe\nSupport Material: Carbon Nanotube Aerogels (CNTAs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Carbon Nanotube Aerogels (CNTAs)\n\n",
+ "predicted": "Precursor synthesis: The CNTAs was prepared by the same procedure as CNTA-SO3H except that the H2SO4 solution was replaced with 0.1 M NaOH aqueous solution. Firstly, 10 mL of ethanol solution containing 60 mg of CNTAs was sonicated for 5 min to obtain a uniform dispersion solution. Then, 10 mL of 0.1 M NaOH aqueous solution and 80 mg of L-tyrosine were added into the above dispersion solution under stirring at room temperature. After 1 h, the mixture was transferred into a Teflon-lined autoclave and heated at 170 \u00b0C for 12 h. Subsequently, the product was washed with deionized water and ethanol several times to remove impurities. Finally, the product was dried in vacuum oven at 60 \u00b0C overnight to get the final product.\n\nSoxhlet extraction: The Soxhlet extractor was used to extract the solvent from the CNTA-Tyr/Fe-NCDs. Typically, 100 mg of CNTA-Tyr/Fe-NCDs powder was placed in a thistle-shaped filter funnel inside the Soxhlet apparatus. Then, the sample was treated with acetone for 12 h and ethanol for another 12 h to completely remove the organic solvents.",
+ "ground_truth": "Precursor synthesis: Te nanowires were synthesized according to our previous reports. [1] Typically, 0.8 g PVP was dissolved in 25 mL of double-distilled water under vigorous magnetic stirring to form a homogeneous solution at room temperature. Then, 0.1335 g of Na2TeO3 was added into the previous solution and dissolved, followed by the addition of hydrazine hydrate (1.25 mL) and 2.45 mL of an ammonia solution. After thoroughly mixing, the solution was transferred into a Teflon-lined stainless steel autoclave and maintained at 180 \u00b0C for 4 h in a forced air oven (Fisher Scientific Isotemp). Finally, the product was centrifuged with acetone, washed with double-distilled water, and dissolved in 100 mL water.\nSAC synthesis: In a typical procedure, 2.32 mmol Dglucosamine hydrochloride and 0.464 mmol ammonium iron(II) sulfate hexahydrate were co-dissolved in 25 mL Te nanowire solution. After stirring for 10 min, the derived solution was transferred into a Teflon-lined stainless steel autoclave and subjected to hydrothermal treatment at 180 \u00b0C for 15 h. The resultant hydrogel was soaked in distilled water to remove impurities for several times and then freeze dried. After that, the products were annealed at 900 \u00b0C in N2 for 2 h with a heating rate of 5 \u00b0C min -1 from room temperature to obtain final product Fe-N-CNTAs-5-900. For comparison, Fe-N-CNTAs-2.5-900 and Fe-N-CNTAs-10-900 were synthesized under the typical condition by changing the mole ratio between and Dglucosamine hydrochloride and ammonium iron (II) sulfate hexahydrate from 2.5:1 to 10:1, respectively."
+ },
+ {
+ "id": 254,
+ "sac_id": "Atom: Ni\nSupport Material: Carbon Nanotube Aerogels (CNTAs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Carbon Nanotube Aerogels (CNTAs)\n\n",
+ "predicted": "Precursor synthesis: The CNTAs was prepared by the same procedure as CNTA-60 except for using 1.5 mL of DOPA solution (1 mg/mL) and incubating at room temperature for 24 h. After freeze-drying, the samples were pyrolyzed at 800 \u00b0C in Ar for 3 h to obtain CNTA-DOPA.\n\nElectrochemical measurements: The electrochemical tests were conducted on a CHI 760E workstation (Shanghai Chenhua Instrument Co., Ltd.). In an argon-saturated 0.5 M H2SO4 electrolyte, the working electrode area was 1 cm \u00d7 1 cm. Linear sweep voltammetry (LSV) was performed with a scan rate of 5 mV s\u22121, and cyclic voltammetry (CV) was performed between \u22120.2 and +0.4 V with a scan rate of 10 mV s\u22121. Electrochemical impedance spectroscopy (EIS) measurements were carried out with a sinusoidal AC voltage of 5 mV at various frequencies ranging from 100 kHz to 100 mHz.",
+ "ground_truth": "Precursor synthesis: Te nanowires were synthesized according to our previous reports. [1] Typically, 0.8 g PVP was dissolved in 25 mL of double-distilled water under vigorous magnetic stirring to form a homogeneous solution at room temperature. Then, 0.1335 g of Na2TeO3 was added into the previous solution and dissolved, followed by the addition of hydrazine hydrate (1.25 mL) and 2.45 mL of an ammonia solution. After thoroughly mixing, the solution was transferred into a Teflon-lined stainless steel autoclave and maintained at 180 \u00b0C for 4 h in a forced air oven (Fisher Scientific Isotemp). Finally, the product was centrifuged with acetone, washed with double-distilled water, and dissolved in 100 mL water.\nSAC synthesis: In a typical procedure, 2.32 mmol Dglucosamine hydrochloride and 0.464 mmol nickel nitrate hexahydrate were co-dissolved in 25 mL Te nanowire solution. After stirring for 10 min, the derived solution was transferred into a Teflon-lined stainless steel autoclave and subjected to hydrothermal treatment at 180 \u00b0C for 15 h. The resultant hydrogel was soaked in distilled water to remove impurities for several times and then freeze dried. After that, the products were annealed at 900 \u00b0C in N2 for 2 h with a heating rate of 5 \u00b0C min -1 from room temperature to obtain final product Ni-N-CNTAs-5-900."
+ }
+ ],
+ "10.1002_adma.201808193": [
+ {
+ "id": 255,
+ "sac_id": "Atom: Ni\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,3-dicyanobenzene, urea, and nickel nitrate were used as precursors.\n\nSynthesis of Ni-N-C: In a typical procedure, 1,3-dicyanobenzene, urea, and nickel nitrate with a molar ratio of 2:5:1 were mixed in ethanol under vigorous stirring. The mixture was then transferred into a Teflon-lined autoclave and heated at 180 \u00b0C for 6 h. After cooling to room temperature, the obtained product was washed several times with deionized water and ethanol, followed by drying at 70 \u00b0C overnight. The as-prepared Ni-N-C powder was placed into a tube furnace, which was then purged by flowing Ar gas for 30 min. The sample was then annealed at 900 \u00b0C for 4 h with a heating rate of 2 \u00b0C min -1 under Ar gas flow. Afterward, the furnace was cooled down to room temperature naturally, and the final product was removed and labeled as Ni-N-C.",
+ "ground_truth": "Precursor synthesis: ZrCl4 (122.5 mg), 2,2'-bipyridine-5,5'-dicarboxylate (H2bpydc, 130 mg), HCOOH (3 mL), and N,N-dimethylformamide (DMF) (50 mL) were mixed under stirring for 5 min, then the synthetic solution was transferred into a 100 mL Teflon-lined stainless-steel autoclave and kept at 120 \u00b0C for 24 h. After that the autoclave was taken out of the oven and cooled to room temperature. The resulting product was collected by centrifugation and washed with DMF and acetone, then dried at 80 \u00b0C in air. Finally, the white powder was further dried under vacuum at 150 \u00b0C for 24 h.\nSAC synthesis: UiO(bpdc) (0.3 mmol) was added to a NiCl2 (0.1 mmol) acetonitrile solution and kept at 25 \u00b0C under stirring for 24 h. The resulting product was centrifuged, and the clear and colorless liquid was decanted. After washing with acetonitrile three to four times, a colorless supernatant was obtained. The resulting yellow UiO(bpdc)-NiCl2 was then dried at 80 \u00b0C in air. The powder of UiO(bpdc)-NiCl2 was placed in a tube furnace and heated to 700 \u00b0C at a heating rate of 2 \u00b0C min-1 and kept at 700 \u00b0C for 3 h under a flowing argon atmosphere. After cooling to room temperature, the resulting black powder was collected and dispersed in 6 mol L-1 HF solution (20 mL) at room temperature for 2 h to remove insert ZrO2 nanoparticles. Finally, the SAC/N-C was filtered using an ultrafiltration membrane and was washed with water 3 times, then dried at 100 \u00b0C under vacuum for 12 h."
+ },
+ {
+ "id": 256,
+ "sac_id": "Atom: Co\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,3-dicyanobenzene and anhydrous FeCl3 were used as precursors.\nSynthesis: The 1,3-dicyanobenzene (0.5 g) and anhydrous FeCl3 (2.5 g) were mixed by grinding for 1 min to obtain a uniform mixture. After that, the mixture was transferred into a ceramic crucible and placed in a tube furnace. The tube furnace was heated to 800 \u00b0C at a rate of 2.5 \u00b0C/min under flowing Ar gas (flow rate: 40 sccm), and maintained at this temperature for 2 h. Subsequently, the temperature was increased to 900 \u00b0C at a rate of 2.5 \u00b0C/min and held for another 2 h to complete the pyrolysis process. Finally, the sample was cooled down to room temperature to obtain the FDC sample.\nCharacterization: The XRD patterns of the FDC samples were recorded on a Bruker D8 Advance powder diffractometer with Cu K\u03b1 radiation. Raman spectra were measured using a Renishaw inVia Raman spectrometer equipped with a 532 nm laser. XPS measurements were performed on a Thermo VG Scientist triple spectrometer using Mg K\u03b1 radiation. STEM imaging was carried out on JEOL ARM200F transmission electron microscope operating at 80 kV. Elemental analysis was conducted on a Varian 680 Flash EA Elemental Analyzer.",
+ "ground_truth": "Precursor synthesis: ZrCl4 (122.5 mg), 2,2'-bipyridine-5,5'-dicarboxylate (H2bpydc, 130 mg), HCOOH (3 mL), and N,N-dimethylformamide (DMF) (50 mL) were mixed under stirring for 5 min, then the synthetic solution was transferred into a 100 mL Teflon-lined stainless-steel autoclave and kept at 120 \u00b0C for 24 h. After that the autoclave was taken out of the oven and cooled to room temperature. The resulting product was collected by centrifugation and washed with DMF and acetone, then dried at 80 \u00b0C in air. Finally, the white powder was further dried under vacuum at 150 \u00b0C for 24 h.\nSAC synthesis: UiO(bpdc) (0.3 mmol) was added to a CoCl2 (0.1 mmol) tetrahydrofuran (THF) solution and kept at 25 \u00b0C under stirring for 24 h. The resulting product was centrifuged, and the clear and colorless liquid was decanted. After washing with THF three to four times, a colorless supernatant was obtained. The resulting yellow UiO(bpdc)-CoCl2 was then dried at 80 \u00b0C in air. The powder of UiO(bpdc)-CoCl2 was placed in a tube furnace and heated to 700 \u00b0C at a heating rate of 2 \u00b0C min-1 and kept at 700 \u00b0C for 3 h under a flowing argon atmosphere. After cooling to room temperature, the resulting black powder was collected and dispersed in 6 mol L-1 HF solution (20 mL) at room temperature for 2 h to remove insert ZrO2 nanoparticles. Finally, the SAC/N-C was filtered using an ultrafiltration membrane and was washed with water 3 times, then dried at 100 \u00b0C under vacuum for 12 h."
+ },
+ {
+ "id": 257,
+ "sac_id": "Atom: Cu\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: Copper acetate monohydrate (Cu(CH3COO)2\u00b7H2O, 1.05 g), polyvinylpyrrolidone (PVP, 1.0 g), and cyanuric acid (CA, 0.78 g) were dissolved in 100 mL of methanol by sonication for 15 min at room temperature. The mixed solution was stirred vigorously at 60 \u00b0C for another 4 h. After cooling down to room temperature, the precipitate was centrifuged and washed with methanol several times, followed by drying in vacuum overnight at 80 \u00b0C. The as-obtained sample (denoted as CA-PVP) was used directly without further processing.\n\nSynthesis of copper-containing ZIF-8 precursors (Cu-ZIF-8): The as-obtained CA-PVP was added into 100 mL of methanol by sonication for 15 min at room temperature. 2-methylimidazole (2-MI, 7.95 g) was then added into the above mixture with stirring for 1 h. The precipitate was collected by centrifugation and washed with methanol three times before being dried in vacuum at 80 \u00b0C for 12 h. The obtained product (denoted as Cu-ZIF-8@CA-PVP) was used directly without further processing.\n\nPyrolysis of Cu-ZIF-8@CA-PVC: Cu-ZIF-8@CA-PVP was pyrolyzed at 900 \u00b0C for 2 h under flowing Ar gas with a heating rate of 5 \u00b0C min-1. After cooling down to room temperature naturally, the as-obtained product was leached in 0.5 M H2SO4 solution at 80 \u00b0C for 12 h to remove metallic cations.",
+ "ground_truth": "Precursor synthesis: ZrCl4 (122.5 mg), 2,2'-bipyridine-5,5'-dicarboxylate (H2bpydc, 130 mg), HCOOH (3 mL), and N,N-dimethylformamide (DMF) (50 mL) were mixed under stirring for 5 min, then the synthetic solution was transferred into a 100 mL Teflon-lined stainless-steel autoclave and kept at 120 \u00b0C for 24 h. After that the autoclave was taken out of the oven and cooled to room temperature. The resulting product was collected by centrifugation and washed with DMF and acetone, then dried at 80 \u00b0C in air. Finally, the white powder was further dried under vacuum at 150 \u00b0C for 24 h.\nSAC synthesis: UiO(bpdc) (0.3 mmol) was added to a CuCl2 (0.1 mmol) tetrahydrofuran (THF) solution and kept at 25 \u00b0C under stirring for 24 h. The resulting product was centrifuged, and the clear and colorless liquid was decanted. After washing with THF three to four times, a colorless supernatant was obtained. The resulting yellow UiO(bpdc)-CuCl2 was then dried at 80 \u00b0C in air. The powder of UiO(bpdc)-CuCl2 was placed in a tube furnace and heated to 700 \u00b0C at a heating rate of 2 \u00b0C min-1 and kept at 700 \u00b0C for 3 h under a flowing argon atmosphere. After cooling to room temperature, the resulting black powder was collected and dispersed in 6 mol L-1 HF solution (20 mL) at room temperature for 2 h to remove insert ZrO2 nanoparticles. Finally, the SAC/N-C was filtered using an ultrafiltration membrane and was washed with water 3 times, then dried at 100 \u00b0C under vacuum for 12 h."
+ },
+ {
+ "id": 258,
+ "sac_id": "Atom: Fe\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,3-dicyanobenzene and a 20 mol% Pd catalyst were pyrolyzed at 800 \u00b0C for 2 h under an Ar atmosphere. The obtained material was washed with 6 M HCl to remove metallic residues.\nSAC synthesis: A mixture of graphite (4 g), urea (2 g), LMW-PDA (0.57 g in 5 mL of water), and ethanol (19 mL) was ground using an agate mortar for 2 h. The resulting slurry was then subjected to mechanochemical treatment in an agate ball mill for another 2 h. The product was further milled for 1 h after drying at 70 \u00b0C. The final products were used as SACs without any further treatments.",
+ "ground_truth": "Precursor synthesis: ZrCl4 (122.5 mg), 2,2'-bipyridine-5,5'-dicarboxylate (H2bpydc, 130 mg), HCOOH (3 mL), and N,N-dimethylformamide (DMF) (50 mL) were mixed under stirring for 5 min, then the synthetic solution was transferred into a 100 mL Teflon-lined stainless-steel autoclave and kept at 120 \u00b0C for 24 h. After that the autoclave was taken out of the oven and cooled to room temperature. The resulting product was collected by centrifugation and washed with DMF and acetone, then dried at 80 \u00b0C in air. Finally, the white powder was further dried under vacuum at 150 \u00b0C for 24 h.\nSAC synthesis: UiO(bpdc) (0.3 mmol) was added to a FeCl3\u00b76H2O (0.1 mmol) tetrahydrofuran (THF) solution and kept at 25 \u00b0C under stirring for 24 h. The resulting product was centrifuged, and the clear and colorless liquid was decanted. After washing with THF three to four times, a colorless supernatant was obtained. The resulting yellow UiO(bpdc)-FeCl3 was then dried at 80 \u00b0C in air. The powder of UiO(bpdc)-FeCl3 was placed in a tube furnace and heated to 700 \u00b0C at a heating rate of 2 \u00b0C min-1 and kept at 700 \u00b0C for 3 h under a flowing argon atmosphere. After cooling to room temperature, the resulting black powder was collected and dispersed in 6 mol L-1 HF solution (20 mL) at room temperature for 2 h to remove insert ZrO2 nanoparticles. Finally, the SAC/N-C was filtered using an ultrafiltration membrane and was washed with water 3 times, then dried at 100 \u00b0C under vacuum for 12 h."
+ }
+ ],
+ "10.1002_anie.201701089": [
+ {
+ "id": 259,
+ "sac_id": "Atom: Rh\nSupport Material: VO2 (Vanadium Dioxide) nanorods\nSynthesis Method: Solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Rh\nSupport Material: VO2 (Vanadium Dioxide) nanorods\n\n",
+ "predicted": "Precursor synthesis: The VOx precursors were prepared by the following steps. In a typical procedure, 0.5 g of vanadium pentoxide and 10 mL of 6 M HNO3 were added into a Teflon-lined autoclave with continuous stirring at room temperature for 48 h. Subsequently, the obtained dark green solution was centrifuged and dried in an oven at 70 \u00b0C overnight to obtain the solid VOx precursors.\n\nSynthesis of VO2 nanorods: Typically, 0.15 g of VOx powder was dispersed in 10 mL of deionized water under ultrasonication for 1 h. Then, 5 mL of 0.1 M ammonium carbonate ((NH4)2CO3) aqueous solution was added into the above suspension under continuous stirring for another 10 min. Subsequently, the homogeneous mixture solution was transferred to a 25 mL Teflon-lined autoclave and sealed before heated at 160 \u00b0C for 12 h. After cooling down to room temperature naturally, the resulting VO2 nanorods were collected by centrifuging and washing with ethanol and deionized water several times, followed by drying at 70 \u00b0C overnight.\n\nRhodization of VO2 nanorods: The rhodization process of VO2 nanorods was carried out in a tube furnace under flowing Ar/H2 mixed gas (5% H2). Firstly, 0.05 g of as-prepared VO2 nanorods were placed on an alumina boat. Secondly, the sample was heated up to 300 \u00b0C with a ramping rate of 5 \u00b0C min-1 and kept for 1 h to ensure the complete reduction of VO2 to VO. Thirdly, the temperature was further increased to 900 \u00b0C with a ramping rate of 10 \u00b0C min-1 and kept for 2 h to achieve the rhodization reaction between reduced vanadia and CO2 in the flowing Ar/H2 mixed gas. Finally, after cooling down to room temperature, the Rh/VO2 nanorods could be obtained.",
+ "ground_truth": "SAC synthesis: In a typical synthesis of Rh1/C, 100 mg of active carbon, 0.75 mL of Na3RhCl6 solution (10 mM), and 5 mL of ethanol were mixed in 5 mL of DI water, followed by stirring at room temperature for 4 h. The product was collected by centrifugation, washed three times with water, and then dried in vacuum at 50 oC. Further ICP result determined that the mass loading of Rh is 0.5%."
+ },
+ {
+ "id": 260,
+ "sac_id": "Atom: Au\nSupport Material: VO2 (Vanadium Dioxide) nanorods\nSynthesis Method: Solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Au\nSupport Material: VO2 (Vanadium Dioxide) nanorods\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 1.0 g of PVP and 0.35 mL of AuCl4- were dissolved in 80.0 mL of ultrapure water under magnetic stirring at room temperature for 30 min. Then, the homogeneous solution was heated to 90 \u00b0C under continuous stirring. 8.0 mL of freshly prepared NaBH4 (100 mM) was quickly added into the solution and kept stirring for another 3 h. The final Au nanoparticles were obtained by centrifugation with pure water at 7000 rpm for 5 min and dried at 60 \u00b0C overnight.\n\nSynthesis of Au@VO2 nanocomposites: A certain amount of as-prepared Au nanoparticles and vanadyl acetylacetonate (VAA; 1 mmol) were first dissolved in a mixed solution containing 15 mL of ethanol and 10 mL of toluene. After stirring for 30 min, 5 mL of deionized water was subsequently added to the above solution followed by stirring for another 30 min. Subsequently, 25 mL of ammonia solution (28 wt.%) was added to the mixture under vigorous stirring for 1 h. Finally, the mixture was transferred into a Teflon-lined autoclave and kept at 160 \u00b0C for 12 h. After cooling down to room temperature, the Au@VO2 nanocomposites were collected by centrifugation and further purified by repeated washing with ethanol and pure water.\n\nAnnealing treatment: All as-synthesized Au@VO2 nanocomposites were annealed at different temperatures from 300 to 400 \u00b0C for 2 h in air at a heating rate of 5 \u00b0C/min.",
+ "ground_truth": "Precursor synthesis: In a typical synthetic procedure, 2 mmol of NH4VO3 was loaded into a jar containing 45 mL of DI water, followed by strongly stirring for 10 min at room temperature. Then, 1 mL of HCl aqueous solution (1 M) was added dropwise into the solution, ensuring the solution to be transparent yellow. After 3 mL of N2H4\u00b7H2O was introduced into the prepared solution and strongly stirred for 30 min at room temperature, the homogeneous solution turned to be turbid with its color evolving from yellow to gray. V(OH)2NH2 was obtained by centrifugation at 10,000 rpm for 5 min. The collected V(OH)2NH2 sample was further dispersed in 30 mL of DI water, followed by the addition of 3.5 mL of HNO3 aqueous solution (0.1 M). After stirring for 15 min, the V(OH)2NH2 suspension solution was sealed in a 40-mL autoclave and heated at 200 oC for 36 h. After the solution was cooled down to room temperature, VO2 nanorods were collected by centrifugation at 10,000 rpm for 5 min, washed with DI water three times, and dried in vacuum at 50 oC.\nSAC synthesis: The synthetic procedures of Au1/VO2 are similar to those of Rh1/VO2 single-atom catalysts, but using 0.25 mL of HAuCl4 (10 mM) instead of Na3RhCl6. Further ICP result determined that the mass loading of Au is 0.5%."
+ },
+ {
+ "id": 261,
+ "sac_id": "Atom: Ag\nSupport Material: VO2 (Vanadium Dioxide) nanorods\nSynthesis Method: Solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ag\nSupport Material: VO2 (Vanadium Dioxide) nanorods\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 1.0 g of K2CO3 and 0.5 g of vanadyl acetylacetonate were dissolved in 40 mL of deionized water under magnetic stirring for 10 min. Then, 6 mL of glucose solution (2 M) was added into the above solution followed by stirring continuously for another 30 min to form a clear and transparent solution. After that, the homogeneous precursor solution was transferred into a 100 mL Teflon-lined stainless steel autoclave and kept at 180 \u00b0C for 2 h. When the reaction was completed, the autoclave was naturally cooled down to room temperature. The black precipitates were collected via centrifugation, and subsequently washed with ethanol and deionized water for several times. Finally, the products were dried at 60 \u00b0C overnight in an oven.\n\nSynthesis of Ag/VO2 nanocomposites: To prepare the Ag/VO2 nanocomposites, 0.2 g of VO2 nanorods was dispersed in 20 mL of deionized water with ultrasonication for 30 min. A certain amount of silver nitrate solution (1 M) was then added dropwise into the VO2 dispersion under vigorous stirring. The pH value of the mixture solution was adjusted to around 9.5 by adding NaOH solution (0.1 M). Subsequently, the mixed solution was kept at 70 \u00b0C for 2 h. During this process, silver atoms would be reduced and deposited on the surface of VO2 nanorods. After natural cooling to room temperature, the resulting samples were washed with deionized water and ethanol for several times, and finally dried at 60 \u00b0C overnight in an oven.",
+ "ground_truth": "Precursor synthesis: In a typical synthetic procedure, 2 mmol of NH4VO3 was loaded into a jar containing 45 mL of DI water, followed by strongly stirring for 10 min at room temperature. Then, 1 mL of HCl aqueous solution (1 M) was added dropwise into the solution, ensuring the solution to be transparent yellow. After 3 mL of N2H4\u00b7H2O was introduced into the prepared solution and strongly stirred for 30 min at room temperature, the homogeneous solution turned to be turbid with its color evolving from yellow to gray. V(OH)2NH2 was obtained by centrifugation at 10,000 rpm for 5 min. The collected V(OH)2NH2 sample was further dispersed in 30 mL of DI water, followed by the addition of 3.5 mL of HNO3 aqueous solution (0.1 M). After stirring for 15 min, the V(OH)2NH2 suspension solution was sealed in a 40-mL autoclave and heated at 200 oC for 36 h. After the solution was cooled down to room temperature, VO2 nanorods were collected by centrifugation at 10,000 rpm for 5 min, washed with DI water three times, and dried in vacuum at 50 oC.\nSAC synthesis: The synthetic procedures of Ag1/VO2 are similar to those of Rh1/VO2 single-atom catalysts, but using 0.46 mL of AgNO3 (10 mM) instead of Na3RhCl6. Further ICP result determined that the mass loading of Ag is 0.5%."
+ },
+ {
+ "id": 262,
+ "sac_id": "Atom: Cu\nSupport Material: VO2 (Vanadium Dioxide) nanorods\nSynthesis Method: Solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: VO2 (Vanadium Dioxide) nanorods\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 1.0 g of K2CO3 and 0.5 g of vanadyl acetylacetonate were dissolved in 40 mL of deionized water under magnetic stirring for 10 min. Then, 6 mL of glucose solution (2 M) was added into the above solution followed by stirring continuously for another 30 min to form a clear and transparent solution. After that, the homogeneous precursor solution was transferred into a 100 mL Teflon-lined stainless steel autoclave and kept at 180 \u00b0C for 2 h. When the reactants cooled down to room temperature naturally, the solid products were separated from the solution by centrifugation and purified with deionized water three times. Subsequently, the as-obtained precipitates were dried at 70 \u00b0C overnight and calcined at 600 \u00b0C for 2 h in air atmosphere with a ramping rate of 2 \u00b0C/min to obtain VO2 nanorods.\n\nElectrode synthesis: The Cu/VO2 electrodes were fabricated by ink casting method. Typically, 10 mg of VO2 nanorods, 10 mg of Super P carbon black, and 20 \u03bcL of polyvinylidene fluoride (PVDF) binder with a weight ratio of 1:1:15 of VO2:Super P:PVDF were dispersed in 2.0 mL of N-methyl-2-pyrrolidone (NMP). After stirring for 8 h, the VO2-carbon black ink was obtained. Finally, 100 \u03bcL of the VO2-carbon black ink was dropped on the Cu foil (1 cm \u00d7 1 cm), dried at 70 \u00b0C overnight, and used as working electrode.\n\nElectrochemical measurements: All electrochemical tests were conducted using CHI 660E electrochemical workstation (Shanghai Chenhua Co., Ltd.). Cyclic voltammetry (CV) experiments were performed in 1.0 M Na2SO4 electrolyte at a scan rate of 5 mV s^-1 between -0.9 and 0.4 V vs. standard hydrogen electrode (SHE). EIS measurements were carried out at an open circuit potential with a sinusoidal AC signal of 10 mV superimposed on the steady DC bias of 0.2 V. The number of frequency points was 10 with a logarithmic distribution. All EIS data were acquired after 5 minutes of stabilization.",
+ "ground_truth": "Precursor synthesis: In a typical synthetic procedure, 2 mmol of NH4VO3 was loaded into a jar containing 45 mL of DI water, followed by strongly stirring for 10 min at room temperature. Then, 1 mL of HCl aqueous solution (1 M) was added dropwise into the solution, ensuring the solution to be transparent yellow. After 3 mL of N2H4\u00b7H2O was introduced into the prepared solution and strongly stirred for 30 min at room temperature, the homogeneous solution turned to be turbid with its color evolving from yellow to gray. V(OH)2NH2 was obtained by centrifugation at 10,000 rpm for 5 min. The collected V(OH)2NH2 sample was further dispersed in 30 mL of DI water, followed by the addition of 3.5 mL of HNO3 aqueous solution (0.1 M). After stirring for 15 min, the V(OH)2NH2 suspension solution was sealed in a 40-mL autoclave and heated at 200 oC for 36 h. After the solution was cooled down to room temperature, VO2 nanorods were collected by centrifugation at 10,000 rpm for 5 min, washed with DI water three times, and dried in vacuum at 50 oC.\nSAC synthesis: The synthetic procedures of Cu1/VO2 are similar to those of Rh1/VO2 single-atom catalysts, but using 0.79 mL of Cu(NO3)2 (10 mM) instead of Na3RhCl6. Further ICP result determined that the mass loading of Cu is 0.5%."
+ },
+ {
+ "id": 263,
+ "sac_id": "Atom: Co\nSupport Material: VO2 (Vanadium Dioxide) nanorods\nSynthesis Method: Solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: VO2 (Vanadium Dioxide) nanorods\n\n",
+ "predicted": "Precursor synthesis: In a typical synthesis, 1.6 g of ammonium metavanadate and 3.54 g of cetyltrimethylammonium bromide (CTAB) were dissolved in 190 mL of deionized water under magnetic stirring for 10 min at room temperature. Afterward, the solution was transferred to a Teflon-lined autoclave with a capacity of 200 mL, which was then heated at 170 \u00b0C for 1 h. Upon cooling to ambient temperature, the precipitate was collected by centrifugation, washed with deionized water, and dried at 80 \u00b0C for 12 h. Finally, the white powder was calcined at 170 \u00b0C for 1 h to obtain VO2 nanorods.\n\nSA-VO2 synthesis: The as-prepared VO2 nanorods were annealed at 600 \u00b0C for 1 h in a tube furnace with a ramp rate of 5 \u00b0C min^-1. After cooling down to room temperature naturally, SA-VO2 nanorods were obtained.\n\nCo deposition: SA-VO2 nanorods were immersed into an ethanol solution containing a certain amount of cobalt chloride hexahydrate (CoCl2\u00b76H2O) for 10 min. Subsequently, the sample was taken out and dried at 80 \u00b0C for 12 h. Then, the sample was subjected to reduction treatment in a tube furnace at 300 \u00b0C for 1 h with a ramp rate of 5 \u00b0C min^-1 under a flow of 10% H2/Ar.",
+ "ground_truth": "Precursor synthesis: In a typical synthetic procedure, 2 mmol of NH4VO3 was loaded into a jar containing 45 mL of DI water, followed by strongly stirring for 10 min at room temperature. Then, 1 mL of HCl aqueous solution (1 M) was added dropwise into the solution, ensuring the solution to be transparent yellow. After 3 mL of N2H4\u00b7H2O was introduced into the prepared solution and strongly stirred for 30 min at room temperature, the homogeneous solution turned to be turbid with its color evolving from yellow to gray. V(OH)2NH2 was obtained by centrifugation at 10,000 rpm for 5 min. The collected V(OH)2NH2 sample was further dispersed in 30 mL of DI water, followed by the addition of 3.5 mL of HNO3 aqueous solution (0.1 M). After stirring for 15 min, the V(OH)2NH2 suspension solution was sealed in a 40-mL autoclave and heated at 200 oC for 36 h. After the solution was cooled down to room temperature, VO2 nanorods were collected by centrifugation at 10,000 rpm for 5 min, washed with DI water three times, and dried in vacuum at 50 oC.\nSAC synthesis: The synthetic procedures of Co1/VO2 are similar to those of Rh1/VO2 single-atom catalysts, but using 0.95 mL of Co(NO3)2 (10 mM) instead of Na3RhCl6. Further ICP result determined that the mass loading of Co is 0.5%."
+ },
+ {
+ "id": 264,
+ "sac_id": "Atom: Rh\nSupport Material: Active Carbon\nSynthesis Method: Solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Rh\nSupport Material: Active Carbon\n\n",
+ "predicted": "Precursor synthesis: The active carbon support was prepared by the conventional St\u00f6ber method. [13] In a typical procedure, Tetraethyl orthosilicate (TEOS, 98%, Aladdin) and ethanol (AR, Sinopharm Chemical) with a volume ratio of 1:2 were mixed and stirred for 5 min at room temperature. Then ammonium hydroxide solution (28%, AR, Sinopharm Chemical) with an amount of 0.6 mL was added into the mixture and stirred for another 5 min. After that, the mixture was kept still for 1 h to form a gel. Subsequently, the formed gel was centrifuged at 7000 r/min for 5 min, and the supernatant was removed. Finally, the obtained wetted sample was dried in an oven at 80 \u00b0C for 4 h and calcined in a tube furnace at 800 \u00b0C for 3 h under argon atmosphere with a heating rate of 5 \u00b0C/min. The obtained black powder was the active carbon support.\nSIP synthesis: The rhodium precursors supported on active carbon supports were prepared by the SIP method. [14] Typically, 1 g of active carbon support was dispersed in 50 mL of deionized water, and then the desired amount of rhodium nitrate solution (Rh(NO3)3\u00b7nH2O, 36% Rh, AR, Sinopharm Chemical) was added dropwise into the above suspension under vigorous stirring. After continuous stirring for 2 h at room temperature, the suspension was filtered and washed with deionized water for several times until the filtrate became colorless. The obtained sample was dried in an oven at 80 \u00b0C overnight and then calcined in a tube furnace at 500 \u00b0C for 3 h under argon atmosphere with a heating rate of 5 \u00b0C/min. The obtained black powder was the rhodium precursors supported on active carbon supports.",
+ "ground_truth": "SAC synthesis: In a typical synthesis of Rh1/C, 100 mg of active carbon, 0.75 mL of Na3RhCl6 solution (10 mM), and 5 mL of ethanol were mixed in 5 mL of DI water, followed by stirring at room temperature for 4 h. The product was collected by centrifugation, washed three times with water, and then dried in vacuum at 50 oC. Further ICP result determined that the mass loading of Rh is 0.5%."
+ },
+ {
+ "id": 265,
+ "sac_id": "Atom: Fe\nSupport Material: VO2 (Vanadium Dioxide) nanorods\nSynthesis Method: Solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: VO2 (Vanadium Dioxide) nanorods\n\n",
+ "predicted": "Precursor synthesis: The VCl4 precursor was used as received without further purification from Alfa Aesar.\n\nSLD Synthesis: For the synthesis of VO2 nanorods, 50 mg of VCl4 and 1 g of PVP were dissolved in 8 mL of deionized water under magnetic stirring for 3 h at room temperature. Then, 1 mL of NH3 HCO3 was added to the solution followed by vigorous stirring for another 3 h. The resulting homogeneous solution was transferred into a 20 mL Teflon-lined stainless-steel autoclave and heated at 160 \u00b0C for 12 h. After cooling down to room temperature, the obtained precipitates were rinsed several times with deionized water and ethanol, and then dried at 60 \u00b0C overnight. Finally, the dried powder was annealed at 400 \u00b0C for 2 h in air to obtain VO2 nanorods.\n\nFe Decoration: To prepare Fe-decorated VO2 nanorods, 50 mg of PVP-stabilized VO2 and 25 \u03bcL of Fe(NO3)3\u00b79H2O aqueous solution (1 M) were dispersed in 10 mL of deionized water under ultrasonication for 10 min. The resulting suspension was transferred into a 20 mL Teflon-lined stainless-steel autoclave and heated at 70 \u00b0C for 2 h. After hydrothermal treatment, the suspension was centrifuged at 10000 rpm for 10 min and dried at 60 \u00b0C overnight. Finally, the dried powder was annealed at 300 \u00b0C for 2 h in Ar to obtain Fe/VO2 nanorods.",
+ "ground_truth": "Precursor synthesis: In a typical synthetic procedure, 2 mmol of NH4VO3 was loaded into a jar containing 45 mL of DI water, followed by strongly stirring for 10 min at room temperature. Then, 1 mL of HCl aqueous solution (1 M) was added dropwise into the solution, ensuring the solution to be transparent yellow. After 3 mL of N2H4\u00b7H2O was introduced into the prepared solution and strongly stirred for 30 min at room temperature, the homogeneous solution turned to be turbid with its color evolving from yellow to gray. V(OH)2NH2 was obtained by centrifugation at 10,000 rpm for 5 min. The collected V(OH)2NH2 sample was further dispersed in 30 mL of DI water, followed by the addition of 3.5 mL of HNO3 aqueous solution (0.1 M). After stirring for 15 min, the V(OH)2NH2 suspension solution was sealed in a 40-mL autoclave and heated at 200 oC for 36 h. After the solution was cooled down to room temperature, VO2 nanorods were collected by centrifugation at 10,000 rpm for 5 min, washed with DI water three times, and dried in vacuum at 50 oC.\nSAC synthesis: The synthetic procedures of Fe1/VO2 are similar to those of Rh1/VO2 single-atom catalysts, but using 0.98 mL of Fe(NO3)3 (10 mM) instead of Na3RhCl6. Further ICP result determined that the mass loading of Fe is 0.5%."
+ },
+ {
+ "id": 266,
+ "sac_id": "Atom: Ni\nSupport Material: VO2 (Vanadium Dioxide) nanorods\nSynthesis Method: Solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: VO2 (Vanadium Dioxide) nanorods\n\n",
+ "predicted": "Precursor synthesis: The VOx precursors were prepared by the following steps. In a typical procedure, 0.5 g of vanadium pentoxide and 10 mL of concentrated nitric acid were mixed together and stirred for 3 h to obtain a yellow solution. Then, 4 mL of hydrogen peroxide was added dropwise into the above solution under stirring until it became brown. Subsequently, distilled water was added to adjust the final concentration to 6 wt%.\n\nSynthesis of Ni-VO2 nanorods: Typically, 1.8 g of NaCl, 0.7 g of KCl, 0.9 g of LiCl, 0.1 g of VOx precursor solution, and 10 mL of ethylene glycol were dissolved in 20 mL of deionized water with stirring for 1 h. The obtained homogeneous solution was transferred into a Teflon-lined stainless steel autoclave and heated at 180 \u00b0C for 18 h. After cooling down to room temperature, the obtained Ni-VO2 nanorods were washed with deionized water and ethanol several times and then dried at 60 \u00b0C overnight. Various samples were obtained by changing the amount of VOx precursor solutions from 0.05 to 0.15 g.\n\nHeat treatment: All as-synthesized Ni-VO2 nanorods were annealed at 550 \u00b0C for 2 h with a ramping rate of 5 \u00b0C min^-1 in air.",
+ "ground_truth": "Precursor synthesis: In a typical synthetic procedure, 2 mmol of NH4VO3 was loaded into a jar containing 45 mL of DI water, followed by strongly stirring for 10 min at room temperature. Then, 1 mL of HCl aqueous solution (1 M) was added dropwise into the solution, ensuring the solution to be transparent yellow. After 3 mL of N2H4\u00b7H2O was introduced into the prepared solution and strongly stirred for 30 min at room temperature, the homogeneous solution turned to be turbid with its color evolving from yellow to gray. V(OH)2NH2 was obtained by centrifugation at 10,000 rpm for 5 min. The collected V(OH)2NH2 sample was further dispersed in 30 mL of DI water, followed by the addition of 3.5 mL of HNO3 aqueous solution (0.1 M). After stirring for 15 min, the V(OH)2NH2 suspension solution was sealed in a 40-mL autoclave and heated at 200 oC for 36 h. After the solution was cooled down to room temperature, VO2 nanorods were collected by centrifugation at 10,000 rpm for 5 min, washed with DI water three times, and dried in vacuum at 50 oC.\nSAC synthesis: The synthetic procedures of Ni1/VO2 are similar to those of Rh1/VO2 single-atom catalysts, but using 0.95 mL of Ni(NO3)2 (10 mM) instead of Na3RhCl6. Further ICP result determined that the mass loading of Ni is 0.5%."
+ }
+ ],
+ "10.1002_anie.202010903": [
+ {
+ "id": 267,
+ "sac_id": "Atom: Sb\nSupport Material: NC\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: \n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Sb\nSupport Material: NC\n\n",
+ "predicted": "Precursor synthesis: 0.278 g (0.006 mol) of SnCl2\u00b72H2O was dissolved in 15 mL of ethanol and stirred for 30 min at room temperature. Then, 0.040 g (0.0005 mol) of SbCl3 and a suitable amount of CH3COOC2H5 were added to the solution sequentially and stirred for another 30 min. After that, 0.300 g (0.003 mol) of NaOH dissolved in 5 mL of distilled water was added to the mixture and stirred for 96 h at room temperature. The product was filtered and washed with ethanol and distilled water several times until the filtrate became colorless. Finally, the sample was dried at 80 \u00b0C overnight to obtain Sb-Sn2O4.\nSynthesis: A certain amount of Sb-Sn2O4 was calcined at 500 \u00b0C for 2 h in a muffle furnace with a heating rate of 2 \u00b0C/min. The obtained samples were denoted as Sb/NC.",
+ "ground_truth": "Precursor synthesis: 1161 mg 2-methylimidazole (2-MeIm) was dissolved in 10 ml methanol with stirring (Solution A). 1069 mg Zn(NO3)2\u00b76H2O and the precursor of Sb were dissolved in 15 ml solution (DMF: methanol = 4:1) under ultrasound for 30 min to form a clear solution (Solution B). Solution A was subsequently added into Solution B with vigorous stirring and then kept static for 12 h at room temperature. The obtained product was separated by centrifugation and washed subsequently with methanol for three times, and finally dried at 65 \u00b0C under vacuum.\nSAC synthesis: The powder of Sb precursor@ZIF-8 was placed in a tube furnace and heated to 950 \u2103 (heating rate 5 \u2103/min) for 3 h in a stream of Ar (30 ml/min) to yield Sb-SAs/NC."
+ },
+ {
+ "id": 268,
+ "sac_id": "Atom: In\nSupport Material: NC\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: \n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: In\nSupport Material: NC\n\n",
+ "predicted": "Precursor synthesis: The melamine-assisted ZIF-8 was prepared by adding 10 g of melamine into 200 mL of ethanol under stirring. After complete dissolution, 5 mL of Zn(NO3)2\u00b76H2O solution (0.74 M) and 5 mL of 2-methylimidazole solution (0.74 M) were added into the above solution separately under stirring for 1 h at room temperature. Then, the suspension was kept in a constant temperature oven at 35 \u00b0C to obtain the ZIF-8. After 24 h, the solid product was collected via centrifugation and washed with ethanol three times. The ZIF-8-assisted ZIF-8-Ni was fabricated through the same procedure as ZIF-8-assisted ZIF-8-Co. The melamine-assisted ZIF-8 was added into the precursor solution containing Ni ions. After reaction for 1 h, the suspension was centrifuged and washed with water twice. Finally, the obtained samples were dried in an oven at 60 \u00b0C overnight.\n\nStabilization process: The as-prepared ZIF-8-assisted ZIF-8-Ni was transferred into a ceramic boat and placed in a tube furnace. First, it was heated to 950 \u00b0C (2 \u00b0C min^-1) for 2 h in N2 atmosphere to yield sample NC.\n|improved role clarity: The provided text describes the synthesis of the support material, NC, which is created through a series of steps involving the preparation of precursors and the stabilization process.",
+ "ground_truth": "Precursor synthesis: 1161 mg 2-methylimidazole (2-MeIm) was dissolved in 10 ml methanol with stirring (Solution A). 1069 mg Zn(NO3)2\u00b76H2O and 462 mg Indium (III) acetylacetonate (In(acac)3) were dissolved in 15 ml solution (DMF: methanol = 4:1) under ultrasound for 30 min to form a clear solution (Solution B). Solution A was subsequently added into Solution B with vigorous stirring and then kept static for 12 h at room temperature. The obtained product was separated by centrifugation and washed subsequently with methanol for three times, and finally dried at 65 \u00b0C under vacuum.\nSAC synthesis: The powder of In(acac)3@ZIF-8 was placed in a tube furnace and heated to 950 \u2103 (heating rate 5 \u2103/min) for 3 h in a stream of Ar (30 ml/min) to yield In-SAs/NC."
+ },
+ {
+ "id": 269,
+ "sac_id": "Atom: Sn\nSupport Material: NC\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: \n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Sn\nSupport Material: NC\n\n",
+ "predicted": "Precursor synthesis: 0.278 g of SnCl4\u00b75H2O was dissolved in 10 mL of ethanol and stirred for 30 min at room temperature. Then, 10 mL of deionized water was added to the mixture and stirred for another 30 min. Subsequently, 0.060 g of NaBH4 was introduced into the solution and stirred continuously for 3 h until a transparent solution was obtained.\n\nSynthesis of Sna@NC (a = 2, 4, 6): The rest of the process is similar to that described for Sna@NC (a = 1).\n\nAnnealing: All the as-prepared samples were annealed under Ar atmosphere at 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C min^-1. The annealed samples are denoted by Sna@NC-A (a = 1, 2, 4, 6), respectively.",
+ "ground_truth": "Precursor synthesis: 1161 mg 2-methylimidazole (2-MeIm) was dissolved in 10 ml methanol with stirring (Solution A). 1069 mg Zn(NO3)2\u00b76H2O and the precursor of Sn were dissolved in 15 ml solution (DMF: methanol = 4:1) under ultrasound for 30 min to form a clear solution (Solution B). Solution A was subsequently added into Solution B with vigorous stirring and then kept static for 12 h at room temperature. The obtained product was separated by centrifugation and washed subsequently with methanol for three times, and finally dried at 65 \u00b0C under vacuum.\nSAC synthesis: The powder of Sn precursor@ZIF-8 was placed in a tube furnace and heated to 950 \u2103 (heating rate 5 \u2103/min) for 3 h in a stream of Ar (30 ml/min) to yield Sn-SAs/NC."
+ }
+ ],
+ "10.1002_anie.201808049": [
+ {
+ "id": 270,
+ "sac_id": "Atom: Ni\nSupport Material: Carbon (C)\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Carbon (C)\n\n",
+ "predicted": "Precursor synthesis: 0.283 g nickel nitrate and 0.4 g carbon black were mixed in 15 mL ethanol and sonicated for 20 min, resulting in a dark-green solution. The mixture was heated at 70 \u00b0C under continuous stirring until dry. After grinding, the obtained powder was transferred into an agate mortar and heated at 600 \u00b0C for 2 h with a heating rate of 2 \u00b0C min -1 under Ar atmosphere. After cooling to room temperature, the obtained material was washed with 2 M HNO3 and deionized water successively and dried at 60 \u00b0C overnight.\nElectrochemical measurement: A Swagelok cell was used to evaluate the electrocatalytic performance of the catalysts. A rotating disk electrode (RDE; Pine Research Instrumentation) was used as the working electrode, a graphite rod was used as the counter electrode, and a mercury pool electrode was used as the reference electrode. The mass loading of the catalyst on RDE is 1.0 mg cm -2. For ORR measurements, KHCO3 was added to the electrolyte to form a pH = 11 electrolyte. Linear sweep voltammetry (LSV) was performed from 0.9 to -0.4 V vs RHE with a scan rate of 10 mV s -1. Chronoamperometry (CA) was conducted at a potential of 0.85 V vs RHE with a feedback of -0.002 A. The kinetic current was calculated by correcting the ohmic drop using Zfit. The K-L theorem was applied to obtain the kinetic current density (jk). The electron transfer number (n) was determined by K-K equation. The number of electrons involved in ORR was confirmed by the relationship between the ring current and the ring potential shift. The mass activity (MA, mA mg -1) was calculated by dividing the current by the mass loading of the catalysts. The specific activity (SA, mA cm catalyst -2) was obtained by dividing MA by the geometric area of the RDE. The turnover frequency (TOF, s -1) was calculated according to the amount of metal. The exchange current density (j0, mA cm catalyst -2) was derived from Tafel analysis.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, under a nitrogen flow, 257 mg of Ni(acac)2 was mixed with 15 mL oleylamine and 0.32 mL oleic acid. The formed solution was heated to 383 K in 20 min, resulting in a nice green solution. The solution was kept at 383 K for an hour to remove humidity and oxygen. Next, the solution was cooled down to 363 K where 264 mg of BTB solvated in 2 mL of oleylamine quickly injected into the solution. A visible color change from green to a dark-brown was observed. The resultant solution was kept at 363 K for 60 min. The solution was cooled down to room temperature. 30 mL of ethanol was added and the product was separated by centrifugation. The product was then dispersed in 10 mL hexane.\n\nSAC synthesis: In a typical procedure, 50 mg Ni NPs@NC was grinded to powders and then placed in the porcelain boat. Then, the boat was heated at 1173 K under Ar for 60 min with the warming rate of 5 K/min. After the temperature was down to room temperature, the mixture was stored in the glass bottle for further use."
+ },
+ {
+ "id": 271,
+ "sac_id": "Atom: Ni\nSupport Material: Activated carbon (AC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Activated carbon (AC)\n\n",
+ "predicted": "Precursor synthesis: 0.27 g of nickel nitrate was dissolved in 15 mL of DI water. 1 g of activated carbon was added to the solution and stirred for 3 h at room temperature. The mixture was then dried at 80 \u00b0C overnight. The obtained powder was annealed at 900 \u00b0C under a flowing Ar atmosphere for 3 h with a heating rate of 5 \u00b0C min^-1. The Ni nanoparticles on AC (Ni@AC) sample was obtained after this process.\nSAC synthesis: 0.27 g of nickel nitrate was dissolved in 15 mL of DI water. 1 g of activated carbon was added to the solution and stirred for 3 h at room temperature. 0.4 mL Triton X-100 was added into the mixture, which was then ultrasonicated for 2 h. The resulting solution was then freeze-dried to obtain a black solid powder. The powder was subsequently annealed at 900 \u00b0C under a flowing Ar atmosphere for 3 h with a heating rate of 5 \u00b0C min^-1. The S@Ni@AC sample was obtained after this process.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, under a nitrogen flow, 257 mg of Ni(acac)2 was mixed with 15 mL oleylamine and 0.32 mL oleic acid. The formed solution was heated to 383 K in 20 min, resulting in a nice green solution. The solution was kept at 383 K for an hour to remove humidity and oxygen. Next, the solution was cooled down to 363 K where 264 mg of BTB solvated in 2 mL of oleylamine quickly injected into the solution. A visible color change from green to a dark-brown was observed. The resultant solution was kept at 363 K for 60 min. The solution was cooled down to room temperature. 30 mL of ethanol was added and the product was separated by centrifugation. The product was then dispersed in 10 mL hexane.\n\nSAC synthesis: In a typical procedure, 50 mg Ni NPs@NC was grinded to powders and then placed in the porcelain boat. Then, the boat was heated at 1173 K under Ar for 60 min with the warming rate of 5 K/min. After the temperature was down to room temperature, the mixture was stored in the glass bottle for further use."
+ },
+ {
+ "id": 272,
+ "sac_id": "Atom: Ni\nSupport Material: N-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: N-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: ZIF-8 was prepared according to the reported method with slight modifications. 31 Specifically, Zn(NO3)2\u00b76H2O (0.495 g) and 2-methylimidazole (1.175 g) were dissolved in 50 mL methanol and stirred for 5 min. The mixture was then transferred into a Teflon-lined autoclave, which was subsequently heated at 120 \u00b0C for 4 h. The obtained product was further purified by washing with methanol thrice and dried at 60 \u00b0C overnight.\nNC synthesis: As-synthesized ZIF-8 (100 mg) was placed in a porcelain boat and annealed at 800 \u00b0C for 2 h with a heating rate of 5 \u00b0Cmin-1 under flowing Ar gas (200 sccm). After cooling down to room temperature naturally, the solid residue was ground into a fine powder and used as NC support without any further treatment.\nElectrochemical measurements: A three-electrode system was employed to perform the electrochemical tests. An Ag/AgCl electrode (saturated KCl solution), graphite rod and working electrode (working area: 1 cm \u00d7 1 cm) were served as reference electrode, counter electrode and electrode to load the catalysts, respectively. ICP-AES (PerkinElmer SCIEX Elan DRC II) and XPS (Thermo VG Scientist Electiva) analyses were conducted to determine the metal loading and elemental composition of the catalysts. SEM (Hitachi SU8000) and TEM (JEOL JEM-2100F) micrographs were acquired to investigate the morphology of the catalysts. Raman spectroscopy (Horiba Jobin Yvon LabRAM HR Evolution) was performed to analyze the crystal structure of the C supports. HER and HOR activities of the catalysts were evaluated by linear sweep voltammetry (LSV) and rotating ring disk electrode (RRDE) techniques, respectively.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, under a nitrogen flow, 257 mg of Ni(acac)2 was mixed with 15 mL oleylamine and 0.32 mL oleic acid. The formed solution was heated to 383 K in 20 min, resulting in a nice green solution. The solution was kept at 383 K for an hour to remove humidity and oxygen. Next, the solution was cooled down to 363 K where 264 mg of BTB solvated in 2 mL of oleylamine quickly injected into the solution. A visible color change from green to a dark-brown was observed. The resultant solution was kept at 363 K for 60 min. The solution was cooled down to room temperature. 30 mL of ethanol was added and the product was separated by centrifugation. The product was then dispersed in 10 mL hexane.\n\nSAC synthesis: In a typical procedure, 50 mg Ni NPs@NC was grinded to powders and then placed in the porcelain boat. Then, the boat was heated at 1173 K under Ar for 60 min with the warming rate of 5 K/min. After the temperature was down to room temperature, the mixture was stored in the glass bottle for further use."
+ },
+ {
+ "id": 273,
+ "sac_id": "Atom: Ni\nSupport Material: N-doped carbon (NC)\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: N-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: ZIF-8 was prepared according to the reported method with slight modifications. 31 Specifically, Zn(NO3)2\u00b76H2O (0.495 g) and 2-methylimidazole (1.175 g) were dissolved in 50 mL methanol and stirred for 5 min. The mixture was then transferred into a Teflon-lined autoclave, which was subsequently heated at 120 \u00b0C for 4 h. The obtained product was further purified by washing with methanol thrice and dried at 60 \u00b0C overnight.\nNC synthesis: As-synthesized ZIF-8 (100 mg) was placed in a porcelain boat and annealed at 800 \u00b0C for 2 h with a heating rate of 5 \u00b0Cmin-1 under flowing Ar gas (200 sccm). After cooling down to room temperature naturally, the solid residue was ground into a fine powder and used as NC support without any further treatment.\nElectrochemical measurements: A three-electrode system was employed to perform the electrochemical tests. An Ag/AgCl electrode (saturated KCl solution), graphite rod and working electrode (working area: 1 cm \u00d7 1 cm) were served as reference electrode, counter electrode and electrode to load the catalysts, respectively. ICP-AES (PerkinElmer SCIEX Elan DRC II) and XPS (Thermo VG Scientist Electiva) analyses were conducted to determine the metal loading and elemental composition of the catalysts. SEM (Hitachi SU8000) and TEM (JEOL JEM-2100F) micrographs were acquired to investigate the morphology of the catalysts. Raman spectroscopy (Horiba Jobin Yvon LabRAM HR Evolution) was performed to analyze the crystal structure of the C supports. HER and HOR activities of the catalysts were evaluated by linear sweep voltammetry (LSV) and rotating ring disk electrode (RRDE) techniques, respectively.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, under a nitrogen flow, 257 mg of Ni(acac)2 was mixed with 15 mL oleylamine and 0.32 mL oleic acid. The formed solution was heated to 383 K in 20 min, resulting in a nice green solution. The solution was kept at 383 K for an hour to remove humidity and oxygen. Next, the solution was cooled down to 363 K where 264 mg of BTB solvated in 2 mL of oleylamine quickly injected into the solution. A visible color change from green to a dark-brown was observed. The resultant solution was kept at 363 K for 60 min. The solution was cooled down to room temperature. 30 mL of ethanol was added and the product was separated by centrifugation. The product was then dispersed in 10 mL hexane.\n\nSAC synthesis: In a typical procedure, 50 mg Ni NPs@NC was grinded to powders and then placed in the porcelain boat. Then, the boat was heated at 1173 K under Ar for 60 min with the warming rate of 5 K/min. After the temperature was down to room temperature, the mixture was stored in the glass bottle for further use."
+ }
+ ],
+ "10.1002_anie.201804958": [
+ {
+ "id": 274,
+ "sac_id": "Atom: Fe\nSupport Material: Hierarchically Structured Porous Carbon (HPC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Hierarchically Structured Porous Carbon (HPC)\n\n",
+ "predicted": "Precursor synthesis: 1,3-Dichlorobenzene-2-one (o-Quinone) was used as a precursor.\nSynthesis of HPC/Fe-Poly: A mixture of o-Quinone (0.5 g), FeCl3\u00b76H2O (0.07 g), and urea (0.4 g) was dispersed in ethanol (20 mL). After stirring for 30 min, the solution was transferred to a Teflon-lined autoclave (50 mL) at room temperature and then heated at 180 \u00b0C for 12 h. The black product was collected by centrifugation, washing with ethanol and deionized water several times, and drying at 70 \u00b0C under vacuum overnight.\nPyrolysis of HPC/Fe-Poly: The as-synthesized HPC/Fe-Poly was placed in a tube furnace and heated to 900 \u00b0C at a rate of 5 \u00b0C min^-1 under Ar flow, and was held at this temperature for 2 h. After cooling to room temperature, the obtained material was leached in 0.5 M H2SO4 at 80 \u00b0C for 24 h to remove metal clusters and unstable species.",
+ "ground_truth": "Precursor synthesis: The dried cattle bone powder was pre-carbonized (at 400 \u00b0C for 2 h, the heating rate of 5 \u00b0C min -1, under an Ar atmosphere), followed by simultaneous one-step carbonization & activation (the mass ratio pre-carbonization products/potassium hydroxide is 1:1, at 900 \u00b0C for 1 h and a heating rate of 5 \u00b0C min -1 under an Ar atmosphere). After acid-washing with 2 M nitric acid and a copies of water to remove impurities, the final carbon product (denoted as hierarchical porous carbon, HPC) was obtained by filtrating and drying at 100 \u00b0C for 24 h.\nSAC synthesis: The unsubstituted phthalocyanine (Pc, 103 mg) and iron phthalocyanine (FePc, 57 mg) were dispersed in an ethanol/tetrahydrofuran mixed solution (100 mL /100 mL) and stirred for 5 h. Subsequently, the resultant solution was mixed into a single homogeneous suspension of HPC / isopropyl alcohol (150 mg / 200 mL) for 3 h at room temperature. Then, the HPC with the FePc/Pc compounds adsorbed was separated from the mixture solution by washing with ethanol and water several times, filtrating and drying at 100 \u00b0C for 48 h. The obtained composite was directly pyrolyzed (at 800 \u00b0C for 1 h, the heating rate of 5 \u00b0C min -1, in an Ar atmosphere) to generate the HPC supported single-atomic Fe (SA-Fe-HPC) catalyst."
+ }
+ ],
+ "10.1002_anie.202004841": [
+ {
+ "id": 275,
+ "sac_id": "Atom: Ni\nSupport Material: Carbon black\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Carbon black\n\n",
+ "predicted": "Precursor synthesis: 0.278 g (1 mmol) of nickel acetate tetrahydrate was dissolved in 50 mL of ethanol with moderate stirring for 30 min. 0.164 g (1 mmol) of 1,10-phenanthroline was added to the above solution with continuous stirring. The mixture was then heated to 60 \u00b0C and refluxed for 4 h. After evaporation of ethanol by a rotary evaporator, the remaining solid was dried at 60 \u00b0C overnight to obtain Ni(Phen)2\u00b72H2O.\n\nSynthesis of Ni-NxCyC: A certain amount of Ni(Phen)2\u00b72H2O was mixed with 10 mL of 9 M KOH and 10 mL of tetraethyl orthosilicate (TEOS). The mixture was transferred into an autoclave after being stirred for 10 min and kept at 100 \u00b0C for 24 h. The obtained solid powder was washed using distilled water and ethanol several times and dried at 60 \u00b0C overnight. Finally, the dried powder was calcined at 800 \u00b0C for 3 h under Ar atmosphere with a heating rate of 5 \u00b0C min-1 to yield Ni-NxCyC.",
+ "ground_truth": "SAC synthesis: Nickel acetate (12.4 mg) and 1,10-phenanthroline monohydrate (29.7 mg) were added to 2 mL ethanol and stirred magnetically for 20 min until both solids had been completely dissolved to form a transparent solution. The solution was then heated at 60 o C, after which carbon black (69.6 mg) was added and the resulting dispersion was heated at 60 o C for 4 h under continuous magnetic stirring. The dispersion was then placed in an oven at 80 o C overnight in the air to evaporate the ethanol. The black powder obtained was lightly ground in a mortar and pestle, then transferred into a ceramic crucible and heated in a tubular furnace at 600 o C for 2 h under argon gas (the heating rate was 10 o C min -1 ). The furnace was then allowed to naturally cool to room temperature under an Ar atmosphere, with the product obtained being denoted herein as Ni-N4/C."
+ }
+ ],
+ "10.1002_adfm.201906477": [
+ {
+ "id": 276,
+ "sac_id": "Atom: Co\nSupport Material: Carbon nanosheet arrays (NSAs) on carbon cloth\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Carbon nanosheet arrays (NSAs) on carbon cloth\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 0.1 g of CoCl2\u00b76H2O and 0.5 g of phytic acid were dispersed in 30 mL of deionized water under ultrasonication for 1 h to obtain a homogeneous solution. Then, the solution was evaporated at 70 \u00b0C to remove water. The obtained solid was ground into powder. Next, 1.0 g of the above-obtained powder was placed in a crucible and heated to 800 \u00b0C with a rate of 5 \u00b0C min-1 in a tube furnace under Ar gas flow. After heating for 3 h, the sample was naturally cooled down to room temperature to get the final product, which was marked as Co-NSAs.\n\nSynthesis of flexible Co-NSAs electrodes: Firstly, commercial carbon cloths are cut into pieces of 1 cm \u00d7 4 cm. Then, 1.0 mL of the as-prepared ZIF-67 nanoparticles solution is uniformly spread onto the carbon cloth at a speed of 0.5 mL h-1 by using a micro-dispensing pump. Secondly, the loaded carbon cloth is annealed at 800 \u00b0C for 3 h in Ar to form Co-NSAs electrode. Finally, the as-prepared electrode is treated with 0.5 M H2SO4 for 12 h to remove corrosive salts.",
+ "ground_truth": "Precursor synthesis: The residual powdery ZnCo-ZIF nanosheets material in the solution was also collected.\nSAC synthesis: Carbonized to obtain powdery Co-SAC and Co-NPC samples."
+ },
+ {
+ "id": 277,
+ "sac_id": "Atom: Co\nSupport Material: N/A (powdery form)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: N/A (powdery form)\n\n",
+ "predicted": "Cobalt(II) acetate tetrahydrate was used in the synthesis. It was added to a solution of 2-aminopyrimidine and other reagents to form an intermediate, which was then reduced using NaB[3.H2O] to yield cobalt(II)-2-aminopyrimidine complex.",
+ "ground_truth": "Precursor synthesis: The residual powdery ZnCo-ZIF nanosheets material in the solution was also collected.\nSAC synthesis: Carbonized to obtain powdery Co-SAC and Co-NPC samples."
+ }
+ ],
+ "10.1002_smll.202005060": [
+ {
+ "id": 278,
+ "sac_id": "Atom: Co\nSupport Material: Carbon nanotubes (CNTs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Carbon nanotubes (CNTs)\n\n",
+ "predicted": "Precursor synthesis: The single-atom cobalt anchored on carbon nanotubes (Co@CNTs) were prepared by the electrostatic self-assembly method. Typically, 10 mg of CNTs was dispersed in 50 mL of deionized water and sonicated for 3 h to obtain a uniform suspension. Then, 20 mg of Co(NH3)6Cl3 was added into the suspension and stirred for another 4 hours. After that, the mixture was centrifuged and washed with deionized water several times to remove the unreacted salts. Finally, the obtained sample was dried at 70 \u00b0C overnight and used for further experiments.\nSAC Synthesis: The Co/N-CNTs composite was synthesized by a two-step pyrolysis process using citric acid as the carbon and nitrogen source. In detail, the as-prepared Co@CNTs were mixed with citric acid at a mass ratio of 1:10, followed by grinding for 10 minutes. Subsequently, the mixture was heated at 800 \u00b0C under N2 atmosphere with a heating rate of 5 \u00b0C min^-1 for 2 h. After cooling down to room temperature, the product was washed with diluted hydrochloric acid and deionized water to remove metallic particles or undesired species.",
+ "ground_truth": "Precursor synthesis: 320 mg prepared PAN nanofiber film was placed in 50 mL methanol. 1.175 g 2-methylimidazole was added to the solution and shaken for 30 min. 0.78 g Co(NO3)2 \u00b7 6H2O was added to the nanofiber solution. The ZIF coating reaction system was maintained at room temperature for 12 h. The final products were washed thoroughly with methanol 3 times and dried at 60 \u00b0C.\nSAC synthesis: The PAN@ZIF-67 precursor was thermally treated from room temperature to 300 \u00b0C for 2 h with a ramp rate of 1 \u00b0C/min in the air environment. 250 mg DCDA and 50 mg pre-oxidized PAN@ZIF-67 film were added to a crucible. The crucible was covered and transferred to a nitrogen muffle and heated to 800 \u00b0C with a ramp rate of 2 \u00b0C/min and held for 2 h to yield the Co-NPs. The mass ratio of PAN@ZIF-67 and DCDA was optimized to 1:5. The precursors with the mass ratio of PAN@ZIF-67/DCDA at 1:5 were also heated at 700 \u00b0C and 900 \u00b0C, and the products were denoted as Co-NPs-700 and Co-NPs-900. In controlled experiments, the materials were pyrolyzed at 800 \u00b0C with a ramp rate of 2 \u00b0C/min for 2 h without DCDA added, and this specimen was denoted as Co-C. Co-SAs catalyst was fabricated by soaking Co-NPs in 1 M H2SO4 at 90 \u00b0C for 48 h."
+ }
+ ],
+ "10.1002_anie.202005930": [
+ {
+ "id": 279,
+ "sac_id": "Atom: Fe\nSupport Material: Lignocellulose-derived carbon (LCC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Lignocellulose-derived carbon (LCC)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 1.0 g of lignin was dissolved in 50 mL of THF and stirred for 24 h at room temperature to form a homogeneous solution. Then, 3.6 g NaOH and 1.9 g of 2-fluoropyridine were added into the above solution and stirred for another 12 h. Subsequently, the precipitate was filtrated and washed with THF and deionized water several times. After drying in a vacuum oven at 80 \u00b0C overnight, the obtained product was named as F-T-Lignin. The F-T-Lignin was dispersed in 100 mL of deionized water followed by adding 1.7 g of NaOH powder. Subsequently, the mixture was transferred into an autoclave and heated at 180 \u00b0C for 12 h. After cooling down to room temperature, the precipitate was collected by centrifugation and washed with deionized water until the supernatant became neutral. The obtained product was then denoted as FTLLignin-derived carbon.\n\nFe/LCC synthesis: Typically, 0.2 g of FTLLignin-derived carbon was dispersed in 20 mL of deionized water under ultrasonication for 10 min. Then, 1.0 mL of FeCl3\u00b76H2O aqueous solution (10 mg mL-1) was added dropwise into the above solution under stirring for 2 h. After that, the slurry was subjected to freeze-dry treatment for 24 h. Finally, the obtained sample was heated from room temperature to 900 \u00b0C at a rate of 5 \u00b0C min-1 and kept at this temperature for 2 h in N2 atmosphere. The resulting product was named as Fe/LCC.",
+ "ground_truth": "Precursor synthesis: The lignocellulose (LC) (1.0 g) was immersed in a 400 mL solution containing 100.0 mmol of Fe2(SO4)3\u00b710H2O (Concentration of Fe 3+ : 500.0 mmol L-1) for 5 hours. The LC with adsorbed Fe 3+ was adequately washed with deionized water, freeze-dried, and subjected to pyrolytic treatment at 360 \u00b0C for 2 hours followed by 700 \u00b0C for 2 hours under an Ar atmosphere to obtain metallic Fe supported on lignocellulose-derived graphitic carbon (Fe/LCC).\nSAC synthesis: The resultant Fe/LCC was not subjected to the acid-etching process, resulting in Fe-clusters/LCC."
+ }
+ ],
+ "10.1002_anie.201702473": [
+ {
+ "id": 280,
+ "sac_id": "Atom: Fe\nSupport Material: N-doped porous carbon (CN)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: N-doped porous carbon (CN)\n\n",
+ "predicted": "Precursor synthesis: 1.0 g of FeCl3\u00b76H2O and 1.0 g of SiO2-URI was separately added into a mortar and ground for about 5 min to obtain a uniform mixture. The mixture was pyrolyzed at 800 \u00b0C for 2 h under a flowing Ar atmosphere with a ramp rate of 5 \u00b0C/min. Afterward, the sample was etched by using the HF solution (10 wt%) for 24 h to remove the SiO2 template. The product was washed several times with water and ethanol, followed by drying at 60 \u00b0C overnight.\nSAC synthesis: 1.0 g of FeCl3\u00b76H2O and 1.0 g of SiO2-URI were initially mixed and ground for about 5 min to obtain a uniform mixture. The mixture was pyrolyzed at 800 \u00b0C for 2 h under a flowing Ar atmosphere with a ramp rate of 5 \u00b0C/min. After pyrolysis, the resulting black powder was treated with 1 M H2SO4 at 80 \u00b0C for 6 h to obtain SAFe-CN-URI. Subsequently, the samples were washed several times with water and ethanol, followed by drying at 60 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: \n- Synthesis of ZIF-8: Typically, 2-methylimidazole (1314 mg, 16 mmol) was dissolved in 15 ml methanol with stirring in flask A. Zn(NO3)2\u00b76H2O (1190 mg, 4 mmol) was dissolved in 30 ml methanol under ultrasound for 15 min to form a clear solution in flask B. Then, flask B was subsequently added into flask A with vigorous stirring for 1h at room temperature. The solution was transferred into a 100 ml Teflon-lined stainless-steel autoclave and heated at 120 \u00b0C for 4h. The obtained product was separated by centrifugation and washed subsequently with DMF for third and methanol for twice and finally dried at 70 \u00b0C under vacuum for overnight.\n- Synthesis of Fe(acac)3-0.1@ZIF-8: Typically, 2-methylimidazole (1314 mg, 16 mmol) was dissolved in 15 ml methanol with stirring in flask A. Zn(NO3)2\u00b76H2O (1190 mg, 4 mmol) and Fe(acac)3 (141 mg, 2.4 mmol) were dissolved in 30 ml methanol under ultrasound for 15 min to form a clear solution in flask B. Then, flask B was subsequently added into flask A with vigorous stirring for 1h at room temperature. The solution was transferred into a 100 ml Teflon-lined stainless-steel autoclave and heated at 120 \u00b0C for 4h. The obtained product was separated by centrifugation and washed subsequently with DMF for third and methanol for twice and finally dried at 70 \u00b0C under vacuum for overnight.\n- Synthesis of CN: The power of ZIF-8 was transferred into a ceramic boat and placed in a tube furnace. The sample was heated to 900 \u00b0C with a heating rate of 5 \u00b0C min -1 and kept at 900 \u00b0C for 3h under flowing argon gas and then naturally cooled to room temperature. The obtained material was directly used without further treatment.\nSAC synthesis: The power of Fe(acac)3-0.1@ZIF-8 was transferred into a ceramic boat and placed in a tube furnace. The sample was heated to 900 \u00b0C with a heating rate of 5 \u00b0C min -1 and kept at 900 \u00b0C for 3h under flowing argon gas and then naturally cooled to room temperature. The obtained material was directly used without further treatment."
+ }
+ ],
+ "10.1002_aenm.202002928": [
+ {
+ "id": 281,
+ "sac_id": "Atom: Ni\nSupport Material: Defect-rich zirconia (ZrO2)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Defect-rich zirconia (ZrO2)\n\n",
+ "predicted": "Precursor synthesis: Nickel nitrate hexahydrate (Ni(NO3)2\u00b76H2O, 99.99%, Sigma Aldrich) was used as the precursor of Ni. Urea (CO(NH2)2, AR grade, Sinopharm Chemical Reagent Co., Ltd.) and ammonium fluoride (NH4F, AR grade, Sinopharm Chemical Reagent Co., Ltd.) were employed to prepare ZrO2 nanoparticles and serve as fluorinating agents.\nSAC Synthesis: The SACs were prepared by a facile one-pot hydrothermal method. In brief, 10 mL water was mixed with 10 mL ethanol as the solvent, followed by adding 0.5 mmol ammonia fluoride (NH4F) and 0.05 mmol zirconyl chloride octahydrate (Cl2ZrO(Cl2(OH)2)2, AR grade, Aladdin Industrial Corporation). After stirring for 1 h, the mixture solution was transferred into a Teflon-lined autoclave and heated at 180 \u00b0C for 12 h. After cooling down to room temperature, the products were collected by centrifugation and washed three times with deionized water and ethanol. Subsequently, the dried powders were calcined at 400 \u00b0C in air for 2 h to obtain ZrO2 nanoparticles. Then, 70 mg ZrO2 nanoparticles were dispersed in 20 mL distilled water, followed by adding 70 \u03bcL nickel nitrate hexahydrate solution (Ni(NO3)2\u00b76H2O, AR grade, Aladdin Industrial Corporation) and 70 \u03bcL urea solution (CO(NH2)2, AR grade, Sinopharm Chemical Reagent Co., Ltd.). After stirring for 12 h, the slurry was transferred into a Teflon-lined autoclave and heated at 100 \u00b0C for 12 h. After cooling down to room temperature, the products were collected by centrifugation and washed three times with deionized water. Finally, the obtained sample was dried at 60 \u00b0C overnight and calcined at 400 \u00b0C in air for 2 h.",
+ "ground_truth": "Precursor synthesis: 2.90 g (6.75 mmol) of Zr(NO3)4\u00b75H2O and 1.44 g (15 mmol) of (NH4)2CO3 were added to 200 mL of deionized water under continuous stirring. The suspension obtained was then continuously stirred at 70 \u00b0C for 5 h, and then dried at 60 \u00b0C for 24 h. Finally, the powder obtained was calcined at 600 \u00b0C in static air for 5 h and then washed with dilute hydrochloric acid and H2O (each three times) to remove any ions.\nSAC synthesis: The synthesis of the Ni-SAx /ZrO2 catalysts was similar to that of d-ZrO2, except a certain amount of Ni(NO3)2\u00b76H2O was also included in the synthesis (here x is the wt.% of Ni(NO3)2\u00b76H2O relative to Zr(NO3)4\u00b75H2O). For example, for the synthesis of Ni-SA-2/ZrO2, 2.90 g (6.75 mmol) of Zr(NO3)4\u00b75H2O, 0.06 g (0.206 mmol) of Ni(NO3)2\u00b76H2O and 1.44 g (15 mmol) of (NH4)2CO3 were added to 200 mL of deionized water under continuous stirring. All other procedures were the same as for the synthesis of d-ZrO2. By this same approach, Ni-SAx /ZrO2 catalysts with x = 2-8 were prepared simply by increasing the amount of Ni(NO3)2\u00b76H2O used in the synthesis."
+ }
+ ],
+ "10.1002_anie.201914643": [
+ {
+ "id": 282,
+ "sac_id": "Atom: Fe\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,3-dicyanobenzene and a 20 mol% Pd catalyst were pyrolyzed at 800 \u00b0C for 2 h under an Ar atmosphere. The obtained material was washed with 6 M HCl to remove metallic residues.\nSAC synthesis: A mixture of graphite (4 g), urea (2 g), LMW-PDA (0.57 g in 5 mL of water), and ethanol (19 mL) was ground using an agate mortar for 2 h. The resulting slurry was then subjected to mechanochemical treatment in an agate ball mill for another 2 h. The product was further milled for 1 h after drying at 70 \u00b0C. The final products were used as SACs without any further treatments.",
+ "ground_truth": "Precursor synthesis: Firstly, DICY (5 g), Glucose (1 g), and FeCl2 \u00b7 4H2O (5 mL, 10 mM) were added into water to form a homogeneous solution. After stirring 12 h, the water was removed by freeze-drying to obtain the powder.\nSAC synthesis: Then, the Fe-N-C SACs could be obtained by pyrolyzing the mixture at 900 o C for 2 h with a rate of 3 o C/min in N2 atmosphere. For comparison, N-C catalysts were also synthesized in the absence of FeCl2 \u00b7 4H2O."
+ }
+ ],
+ "10.1002_adma.202003484": [
+ {
+ "id": 283,
+ "sac_id": "Atom: Rh\nSupport Material: Carbon hollow spheres without nitrogen (CS)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Rh\nSupport Material: Carbon hollow spheres without nitrogen (CS)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 2-methylimidazole solution (1.98 mL) was firstly poured into methanol (60.0 mL), which was subsequently added into methanol (40.0 mL), and mixed well by stirring. Zn(NO3)2\u00b76H2O (0.752 g) and Co(NO3)2\u00b76H2O (0.023 g) were dissolved in methanol (10.0 mL), and then added to above mixture under stirring for 1 h at room temperature. Next, the mixture was kept static for 24 h. The resulting precipitate was collected by centrifugation, and washed with methanol three times. Finally, the product was dried in vacuum at 60 \u00b0C overnight.\n\nSynthesis of Rh/Co@CS: The Rh/Co@CS sample was prepared according to the similar procedure as that for Rh/Co@CN by using as-prepared Co@CS as precursor.\n\nAnnealing: All the samples were calcined at 900 \u00b0C for 2 h under Ar atmosphere with a ramping rate of 5 \u00b0C min -1.",
+ "ground_truth": "Precursor synthesis: 0.74 g 2,4-dihydroxybenzoic acid and 0.28 g hexamethylentetramine were dissolved in deionized water (DI water) to form solution I. An aqueous solution (80 mL) containing 0.3 g sodium oleate and 0.18 g poly(propylene glycol)-block-poly(ethylene glycol)-block-poly(propylene glycol) was added into solution I under slow stirring for 10 min and then transferred to a Teflon-lined stainless-steel autoclave heated at 160 \u00b0C for 8 h. After cooling to room temperature, the products were centrifuged, washed three times with DI water, and dried in vacuum at 50 \u00b0C overnight. The as-prepared powders were annealed at 650 \u00b0C for 3 h with a ramping rate of 2 \u00b0C min^-1 under NH3 atmosphere, followed by further carbonization in N2 at 900 \u00b0C for 2 h.\nSAC synthesis: The Rh-anchored NCS (R-NCS) sample was prepared by embedding Rh species on the nitrogen-doped carbon hollow spheres (NCS). The dominating Rh nanoparticles are formed in the R-NCS without adding Fe, which is confirmed by TEM and XPS of Rh 3d spectrum. The XPS confirms that the Rh exists as the oxidative state Rh 3+ rather than the metallic state when Rh < 3.5 at%."
+ },
+ {
+ "id": 284,
+ "sac_id": "Atom: Fe\nSupport Material: Nitrogen-doped carbon hollow spheres (NCS)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Nitrogen-doped carbon hollow spheres (NCS)\n\n",
+ "predicted": "Precursor synthesis: The nitrogen-doped carbon support was prepared by pyrolyzing a mixture of melamine and dopamine hydrochloride in a muffle furnace at 800 \u00b0C for 2 h under an Ar atmosphere. First, 150 mg of the as-prepared NCS support was dispersed in 30 mL of deionized water with vigorous magnetic stirring. Then, 7.5 mg of Fe(NO3)3\u00b79H2O was added to the suspension, and the resulting mixture was continuously stirred for 6 h at room temperature. After that, the product was collected by centrifugation and washed three times with deionized water. Finally, the obtained solid powder was dried at 60 \u00b0C overnight and ground into a fine powder prior to the subsequent thermal treatment. The as-obtained precursor sample was annealed at 800 \u00b0C for 2 h under an Ar atmosphere.",
+ "ground_truth": "Precursor synthesis: Carbon hollow spheres without N-doping were prepared following most of the processes of NCS without pyrolysis in NH3. The left procedures to get FR-CS were the same as those of FR-NCS.\nSAC synthesis: The Fe-anchored CS (F-CS) sample was prepared by embedding Fe species on the carbon hollow spheres without nitrogen (CS). The Fe-anchored CS (F-CS) sample possesses the majority of Fe species as the Fe nanoparticles rather than Fe SACs without adding Rh. The co-existence of Rh and Fe facilitates the metal nanoparticles transforming to atomically dispersed Rh and Fe atoms. The formation of Rh \ue0c6 Fe bonding significantly contributes to thermodynamic stability, promoting the dispersion of single metal atoms and enhancing the stability of Fe/Rh single atoms. The use of 5 vol% H2 facilitates to form metallic Fe at 200 \u00b0C rather than iron oxides, confirming the efficient reduction effect of 5 vol% H2/95 vol% Ar. The doublets in M\u00f6ssbauer spectroscopy demonstrate that over 89% of Fe atoms are atomically dispersed in the form of atomic Fe-N4."
+ },
+ {
+ "id": 285,
+ "sac_id": "Atom: Fe\nSupport Material: Carbon hollow spheres without nitrogen (CS)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Carbon hollow spheres without nitrogen (CS)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 0.25 g of Zn(NO3)2 \u00b7 6H2O was dissolved in 15 mL of methanol to form solution A. Then, 0.315 g of 2-methylimidazole was dissolved in 15 mL of methanol to form solution B. Afterward, the solution B was added into solution A with vigorous stirring for 4 h at room temperature. Subsequently, the above mixture was centrifuged and washed with methanol for three times and dried in vacuum at 80 \u00b0C for 12 h. Finally, the product was carbonized at 900 \u00b0C for 3 h under N2 atmosphere with a heating rate of 5 \u00b0C min -1 to obtain ZIF-8.\nSynthesis of CS: The preparation process is similar to that of Ni/NS except that ZIF-8 was used as the precursor.",
+ "ground_truth": "Precursor synthesis: Carbon hollow spheres without N-doping were prepared following most of the processes of NCS without pyrolysis in NH3. The left procedures to get FR-CS were the same as those of FR-NCS.\nSAC synthesis: The Fe-anchored CS (F-CS) sample was prepared by embedding Fe species on the carbon hollow spheres without nitrogen (CS). The Fe-anchored CS (F-CS) sample possesses the majority of Fe species as the Fe nanoparticles rather than Fe SACs without adding Rh. The co-existence of Rh and Fe facilitates the metal nanoparticles transforming to atomically dispersed Rh and Fe atoms. The formation of Rh \ue0c6 Fe bonding significantly contributes to thermodynamic stability, promoting the dispersion of single metal atoms and enhancing the stability of Fe/Rh single atoms. The use of 5 vol% H2 facilitates to form metallic Fe at 200 \u00b0C rather than iron oxides, confirming the efficient reduction effect of 5 vol% H2/95 vol% Ar. The doublets in M\u00f6ssbauer spectroscopy demonstrate that over 89% of Fe atoms are atomically dispersed in the form of atomic Fe-N4."
+ },
+ {
+ "id": 286,
+ "sac_id": "Atom: Rh\nSupport Material: Nitrogen-doped carbon hollow spheres (NCS)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Rh\nSupport Material: Nitrogen-doped carbon hollow spheres (NCS)\n\n",
+ "predicted": "Precursor synthesis: The nitrogen-doped carbon support was prepared by a method similar to that of Pp-CNF, except that no 1,4-DMDA\u00b7HCl was added. 500 mg of the as-prepared nitrogen-doped carbon support and 20 mL of deionized water were ultrasonically dispersed for 30 min. 2 mL of a Rh precursor solution (Rh content: 6 wt%) was slowly dropped into the above mixture under stirring at room temperature and further stirred for another 3 h. The obtained slurry was quickly frozen in liquid nitrogen, followed by vacuum freeze-drying at -80 \u00b0C. The dried sample was placed in 1 M HNO3 and heated at 70 \u00b0C for 12 h in an oil bath. The sample was collected and fully washed with deionized water to neutral, followed by rotary evaporation to obtain the final product.",
+ "ground_truth": "Precursor synthesis: 0.74 g 2,4-dihydroxybenzoic acid and 0.28 g hexamethylentetramine were dissolved in deionized water (DI water) to form solution I. An aqueous solution (80 mL) containing 0.3 g sodium oleate and 0.18 g poly(propylene glycol)-block-poly(ethylene glycol)-block-poly(propylene glycol) was added into solution I under slow stirring for 10 min and then transferred to a Teflon-lined stainless-steel autoclave heated at 160 \u00b0C for 8 h. After cooling to room temperature, the products were centrifuged, washed three times with DI water, and dried in vacuum at 50 \u00b0C overnight. The as-prepared powders were annealed at 650 \u00b0C for 3 h with a ramping rate of 2 \u00b0C min^-1 under NH3 atmosphere, followed by further carbonization in N2 at 900 \u00b0C for 2 h.\nSAC synthesis: The Rh-anchored NCS (R-NCS) sample was prepared by embedding Rh species on the nitrogen-doped carbon hollow spheres (NCS). The dominating Rh nanoparticles are formed in the R-NCS without adding Fe, which is confirmed by TEM and XPS of Rh 3d spectrum. The XPS confirms that the Rh exists as the oxidative state Rh 3+ rather than the metallic state when Rh < 3.5 at%."
+ }
+ ],
+ "10.1002_smll.202001384": [
+ {
+ "id": 287,
+ "sac_id": "Atom: Cu\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 0.15 g of copper acetate monohydrate and 0.24 g of tris(hydroxymethyl) aminomethane were dissolved in 8 mL of ethanol under ultrasonication for 10 min at room temperature. Then, another solution containing 0.3 g of 2-methylimidazole and 8 mL of ethanol was added into the above solution with stirring. After stirring for 12 h at room temperature, the solvent was removed from the resulting mixture by rotary evaporation to obtain yellow powders. Subsequently, the light purple powders were grinded and calcinated at 900 \u00b0C for 2 h under Ar atmosphere, followed by acid washing with 1 M HCl to remove metallic nanoparticles. Finally, the products were dried in vacuum at 60 \u00b0C overnight.\nS synthesis: The sulfur powder was mixed with the NC support in a mass ratio of 7:3, ground thoroughly, and then calcined at 350 \u00b0C for 2 h under Ar atmosphere.",
+ "ground_truth": "Precursor synthesis: A total of 100 mg ZIF-8 was dispersed in 10 mL n-hexane under ultrasound at room temperature until homogeneous solution was formed. Then, 50 \u00b5L of 100 mg mL-1 Cu(NO3)2 aqueous solution was slowly added into the mixed solution under ultrasound at room temperature. Next, the mixed solution was kept under stirring for 6 h at room temperature, centrifuged, and dried in vacuum at 80 \u00b0C.\nSAC synthesis: Then, the obtained powder was ground and calcined at 800 and 900 \u00b0C for 1 h in argon atmosphere, labeled as Cu SAs/NC-800 and Cu SAs/NC-900, respectively."
+ }
+ ],
+ "10.1002_anie.202014718": [
+ {
+ "id": 288,
+ "sac_id": "Atom: Ag\nSupport Material: MnO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ag\nSupport Material: MnO2\n\n",
+ "predicted": "Precursor synthesis: The MnO2 nanosheets were prepared by a modified hydrothermal method. In a typical procedure, 10 mL of NaOH solution (0.5 M) was poured into a Teflon-lined autoclave with a volume of 30 mL and stirred at room temperature for 1 h to ensure the uniform distribution of the solution. Then, 20 mL of Mn(CH3COO)2\u00b74H2O solution (0.5 M) was added into the above solution and stirred for another 1 h. Finally, the autoclave was sealed and heated in an oven at 160 \u00b0C for 8 h. After cooling naturally, the product was collected by centrifugation, washed three times with deionized water and ethanol, and dried at 60 \u00b0C overnight.\n\nMP Synthesis: The Ag/MnO2 electrode was fabricated by electrolysis of 0.05 M H2SO4 containing 50 \u03bcM AgNO3 at a scan rate of 100 mV s-1 between -0.27 and 0.2 V vs RHE for five cycles.",
+ "ground_truth": "Precursor synthesis: Manganese sulfate (MnSO4\u00b7H2O, 0.008 mol) and an equal amount of ammonium persulfate ((NH4)2S2O8) were added to distilled water at room temperature. The resulting homogeneous solution was transferred into a Teflon-lined stainless steel autoclave, sealed, and maintained at 120 \u00b0C for 12 h. After completion of the reaction, the black solid product was filtered, washed several times with distilled water (D.I.) to remove possible remaining ions in the final products, and then dried in an oven at 80\u00b0C in air. The obtained MnO2 was calcined at 500 \u00b0C in air for 6 h before use. MnO2 Supported Ag Nanoparticles (AgNP/MnO2) Synthesis: AgNO3 (0.1180 g, 0.7 mmol) was dissolved by the smallest amount of ammonium hydroxide (ca. 0.25 mL) followed by diluting the right amount of D.I. (20 mL). The Ag-containing solution and H2O2 solution (30 wt.%, 20 mL) were added to the MnO2 suspension at the amount of 2 g in 20 mL D.I. under stirring at room temperature for 1 h. The mixture was then filtered and dried at 60 \u00b0C for 24 h. The solid sample was designated as AgNP/MnO2. SAC synthesis: AgNP/MnO2 was directly calcined at 400 \u00b0C under air atmosphere for 2 h to yield Ag1/MnO2. The actual Ag loadings determined by ICP-OES analysis for AgNP/MnO2 was 3.8 wt.%."
+ }
+ ],
+ "10.1002_anie.201805467": [
+ {
+ "id": 289,
+ "sac_id": "Atom: Co\nSupport Material: Ordered porous nitrogen-doped carbon matrix (OPNC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Ordered porous nitrogen-doped carbon matrix (OPNC)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 12 mmol of Zn(NO3)2\u00b76H2O and 0.5 mmol of Co(NO3)2\u00b76H2O were dissolved in 48 mL of deionized water to form a transparent solution (denoted as solution A). Then, 25 mmol of 2-methylimidazole and 5 mmol of triethylamine were dissolved in 48 mL of deionized water to form a clear solution (denoted as solution B). Afterwards, the solution B was added into the solution A under stirring at room temperature for 2 h. The resulting mixture was then transferred into a Teflon-lined stainless-steel autoclave and kept at 120 \u00b0C for 4 h. The obtained products were centrifuged and washed with ethanol for three times, followed by drying in vacuum at 70 \u00b0C overnight.\n\nSynthesis of Co-N-C/OPNC: Typically, Co-NZIF was placed in a tube furnace and heated to 900 \u00b0C at a rate of 5 \u00b0C min^-1 and maintained at this temperature for 2 h under Ar flow. After cooling down to room temperature, the sample was taken out from the tube furnace and further calcined at 1000 \u00b0C for 2 h in an ammonia atmosphere. The final product is denoted as Co-N-C/OPNC.",
+ "ground_truth": "Precursor synthesis: CoCl2 \u00b7 6H2O (237.93 mg, 1 mmol) was dissolved in 5 ml ethanol to form a clear pink solution, which was subsequently added into 20 mL of water and ethanol (v:v = 1:1) containing SBA-15 (500 mg) and 2,2'-bipyridine (2,2-bipy, 468.57 mg, 3 mmol) under robust stirring at 80 \u00b0C. The unsealed mixed suspension was then evaporated the solvent at 80 \u00b0C for 24 h. Then, the collected solid powder (Co-2,2-bipy/SBA-15, ~1.098 g) were placed in a tube furnace and then heated to 800 \u00b0C for 2 h at the heating rate of 5 \u00b0C/min under flowing Ar gas and then naturally cooled to room temperature to obtain the representative samples (670.9 mg, pyrolyzed loss rate 39%, 9.3% Co).\nSAC synthesis: The trial of washing with 2 M NaOH was performed at 60 \u00b0C for 24 h to remove the SBA-15 template and Co nano-particles, and then collected by centrifugation (10000 rpm for 2.5 min), washed subsequently with warm water and ethanol for three times and finally dried at 30 \u00b0C under vacuum for overnight. The content of cobalt in the NaOH washed solution is approximate 19.2 mg. The mass of the obtained catalyst is approximate 502.7 mg (Elemental Analysis: Co 8.4 wt%, C 26.6 wt%, N 3.4 wt%, O 32.8 wt%, Si 28.8 wt%)."
+ }
+ ],
+ "10.1002_cssc.202002359": [
+ {
+ "id": 290,
+ "sac_id": "Atom: Fe\nSupport Material: Graphene (G)\nSynthesis Method: Vapour/Gas-phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Graphene (G)\n\n",
+ "predicted": "Precursor synthesis: Iron pentacarbonyl (Fe(CO)5) was used as the metal precursor for iron.\n\nMB synthesis: In a typical experiment, 10 mg graphene and desired amount of Fe(CO)5 were added in 20 mL n-hexane with continuous stirring for 4 h at room temperature. After that, the mixture was heated at 80 \u00b0C to completely evaporate the solvent. Subsequently, the obtained solid was annealed at 700 \u00b0C under Ar flow for 30 min to obtain the final product. The molar ratio of Fe/C in MB-x is x/69 (x = 0.01, 0.02, 0.03, 0.04).",
+ "ground_truth": "Precursor synthesis: \u03b1-type iron (Fe 2+ ) phthalocyanine powder (\u03b1-FePc, 97%) was purchased from Alfa Asear and used as the precursor.\n\nSAC synthesis: 0D/1D Fe single atom catalyst coupled G/Cu film (Fe SAC@G/Cu) were prepared through an improved vapor-phase transfer and deposition technique based on the single-crystal \u03b1-FePc as the precursor. The precursor \u03b1-FePc was heated at a special temperature (T1, 450 o C), where the Fe-N4 macrocyclic structures begin to collapse according to the TG and DSC analysis (Figure S2). After that, these thermal-treated molecules were transferred to another region at lower temperature (T2) to self-assembly and combine with the G/Cu substrates to form the final composite structure.\n\nThe detailed procedure is briefly discussed here: Two connected and sealed chambers were heated at temperature T1 (450 o C) and T2 (70 o C, 90 o C, 110 o C, 130 o C and 150 o C), respectively, controlled by individual thermocouple in inert atmosphere. The fluffy \u03b1-FePc powder (50 mg) was loaded in the middle of the T1 temperature zone and the as-prepared 1cm \u00d71cm G/Cu substrate was loaded in the middle of T2 temperature zone. The \u03b1-FePc powder was initially thermal-treated in the first chamber (T1) for 1h with the protection of ambient-pressure Ar atmosphere. 200 sccm Ar gas was then flowed in to transfer the sublimated species to the second chamber (T2) within 1.3 torr Ar atmosphere and maintained for a period (30min). Upon completing deposition, the Ar flowing was stopped and the synthesized composite film were immediately cooled down to room temperature.\n\nFor the sake of morphology characterizations and ORR performance evaluations, the copper layers were removed by floating the synthesized Fe SAC@G/Cu on the solution surface of 0.1 M FeCl3 for more than 12h, with no need of a supporting layer. After the Cu layer being etched, the floating Fe SAC@G films were scooped up on the Si wafer and transferred to a flat beaker full of deionized water to rinse off any impurity and residue of FeCl3. The rinsing procedure was repeated for more than three times. Finally, the free-standing Fe SAC@G was transferred on Si wafer or electrode for further characterization or electrochemical measurements."
+ }
+ ],
+ "10.1002_anie.202009400": [
+ {
+ "id": 291,
+ "sac_id": "Atom: W\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: W\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 0.25 g of Zn(CH3COO)2\u00b72H2O and 0.4 g of NH4SCN were dissolved in 15 mL of deionized water. Then the above solution was transferred into another beaker containing 0.3 g of 2-methylimidazole in 15 mL of deionized water. After stirring for 6 h at room temperature, the products were collected by centrifugation and washed three times with water. Subsequently, the as-obtained samples were dried at 60 \u00b0C overnight and calcined at 900 \u00b0C under Ar for 3 h to obtain Zn-IM.\nSMP synthesis: A certain amount of Zn-IM powder was mixed with mesitylene (the volume ratio of Zn-IM to mesitylene is 1:7). The mixture was transferred into a quartz boat and heated to 300 \u00b0C for 2 h. The resulting sample was collected and washed with water and ethanol to remove the unstable species on the surface. Finally, the product was dried at 60 \u00b0C overnight and used as SMPs.\nSynthesis of W/NC: First, 2 g of dopamine hydrochloride was dissolved in 80 mL of deionized water. Then, 0.2 g of SMPs was added to the above solution under vigorous stirring for 12 h. After that, the suspension was transferred into an autoclave and heated at 160 \u00b0C for 12 h. Finally, the product was collected by centrifugation, washed several times with water, and dried at 60 \u00b0C overnight. Next, the as-prepared material was placed in a tube furnace and annealed at 900 \u00b0O C for 2 h under Ar atmosphere to obtain W/NC.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, S-PPy was prepared by an oxidation polymerization reaction. The oxidant ammonia persulfate (1.13 g) was dissolved in 20 ml H2O and added slowly under stirring to 200 mL 1 M hydrochloride acid containing 0.72g CTAB, 0.33 g pyrrole monomer, and 0.25 g P-TSNa. The polymerization was carried out at 0-5 \u00b0C for 24 h. The precipitate was washed several times with deionized water until the filtrate became neutral, and further washed with ethanol and acetone several times. The resulting powder was dried overnight at 80 \u00b0C in a vacuum oven. The reference PPy was prepared in a similar way to S-PPy, but without P-TSNa.\nSAC synthesis: In a typical synthesis, 50 mg PPy powders were mixed with 50 ml ethanol by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol tungsten salts were then added into the dispersion, with vigorous stirring until the ethanol evaporated out, forming S-PPy-W x+ mixtures, respectively. Finally, the mixtures were annealed at 750 \u00b0C under argon for 2 h. The resultant products were denoted as W1@NC."
+ },
+ {
+ "id": 292,
+ "sac_id": "Atom: In\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: In\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: Zinc acetate dihydrate (Zn(Ac)2\u00b72H2O, 1.5 mmol), 2-aminoterephthalic acid (H2L1, 0.5 mmol), and 2-aminopyrimidin-4-ol (H2L2, 0.5 mmol) were dissolved in 30 mL of methanol with stirring to obtain a clear solution (H2L1: H2L2: Zn(Ac)2\u00b72H2O = 1: 1: 2). The mixture was then transferred into a Teflon-lined autoclave and heated at 120 \u00b0C for 6 h. The product was collected by centrifugation and then washed three times with methanol, followed by drying at 80 \u00b0C under vacuum overnight.\nSynthesis of Zn-MOF/NC: The prepared HOF sample was placed in a porcelain boat and heated at 900 \u00b0C (5 \u00b0C min-1) for 3 h in a tube furnace under an argon flow (100 sccm).\nCharacterization: Scanning electron microscopy (SEM) images were taken using a Hitachi S-4800 field emission scanning electron microscope operated at 10 kV. Energy-dispersive X-ray spectroscopy (EDS) analysis was performed using an Oxford X-Max 20 silicon drift detector. Ultraviolet-visible (UV-Vis) diffuse reflectance spectra (DRS) were recorded on a Shimadzu UV-3600 spectrophotometer with BaSO4 as a reference standard. Fourier transform infrared (FTIR) spectra were obtained using a PerkinElmer Spectrum Two FTIR spectrometer. X-ray diffraction (XRD) patterns were measured using a Rigaku D/Max-Ultima III X-ray diffractometer equipped with a Cu K\u03b1 radiation source. X-ray photoelectron spectroscopy (XPS) measurements were carried out using an ESCALAB Xi+ spectrometer from Thermo Fisher Scientific. Transmission electron microscopy (TEM) images were acquired using a JEOL JEM-2100F transmission electron microscope operated at 200 kV. Electrochemical measurements were conducted using a CHI 760E electrochemical workstation (Shanghai Chenhua Co., Ltd.). Cyclic voltammetry (CV) tests were performed in a three-electrode system with a working electrode of 1/4 pellet (1.4 cm2), a counter electrode of graphite rod, a reference electrode of Ag/AgCl, and an electrolyte of 6 M KOH solution with 0.1 M ferrocene. Linear sweep voltammetry (LSV) tests were conducted in a CR2032 coin cell with a working electrode of flat carbon cloth (1 \u00d7 3 cm2), a counter electrode of fluorine-treated carbon cloth (1 \u00d7 3 cm2), a reference electrode of graphite rod, and an electrolyte of 6 M KOH solution.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, S-PPy was prepared by an oxidation polymerization reaction. The oxidant ammonia persulfate (1.13 g) was dissolved in 20 ml H2O and added slowly under stirring to 200 mL 1 M hydrochloride acid containing 0.72g CTAB, 0.33 g pyrrole monomer, and 0.25 g P-TSNa. The polymerization was carried out at 0-5 \u00b0C for 24 h. The precipitate was washed several times with deionized water until the filtrate became neutral, and further washed with ethanol and acetone several times. The resulting powder was dried overnight at 80 \u00b0C in a vacuum oven. The reference PPy was prepared in a similar way to S-PPy, but without P-TSNa.\nSAC synthesis: In a typical synthesis, 50 mg PPy powders were mixed with 50 ml ethanol by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol indium salts were then added into the dispersion, with vigorous stirring until the ethanol evaporated out, forming S-PPy-In x+ mixtures, respectively. Finally, the mixtures were annealed at 750 \u00b0C under argon for 2 h. The resultant products were denoted as In1@NC."
+ },
+ {
+ "id": 293,
+ "sac_id": "Atom: Sn\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Sn\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 0.24 g of sulfur powder and 15 mL of N, N-dimethylformamide (DMF) were added into a ball milled ZrO2 jar with three stainless steel balls. The mixture was ball milled for 3 h at 400 rpm to form a homogeneous sulfur/DMF suspension. 6.7 mg of SnCl2\u00b72H2O and 20 mg of melamine were dissolved in 5 mL of deionized water. Then the solution was added into the as-prepared sulfur/DMF suspension under vigorous stirring for another 8 h, followed by vacuum drying at 90 \u00b0C overnight.\nSulfur encapsulation: The as-obtained powder mixture (0.1 g) was sealed in a quartz ampoule under vacuum (\u2248 10^-3 Pa). The ampoule was placed in an oven and heated at 150 \u00b0C for 12 h. After cooling down to room temperature, the product was ground to obtain yellow powders.\nCarbonization: The as-obtained yellow powders (0.1 g) were calcined at 700 \u00b0C for 2 h in a tube furnace under argon flow. After cooling down to room temperature, black products were obtained.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, S-PPy was prepared by an oxidation polymerization reaction. The oxidant ammonia persulfate (1.13 g) was dissolved in 20 ml H2O and added slowly under stirring to 200 mL 1 M hydrochloride acid containing 0.72g CTAB, 0.33 g pyrrole monomer, and 0.25 g P-TSNa. The polymerization was carried out at 0-5 \u00b0C for 24 h. The precipitate was washed several times with deionized water until the filtrate became neutral, and further washed with ethanol and acetone several times. The resulting powder was dried overnight at 80 \u00b0C in a vacuum oven. The reference PPy was prepared in a similar way to S-PPy, but without P-TSNa.\nSAC synthesis: In a typical synthesis, 50 mg PPy powders were mixed with 50 ml ethanol by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol tin salts were then added into the dispersion, with vigorous stirring until the ethanol evaporated out, forming S-PPy-Sn x+ mixtures, respectively. Finally, the mixtures were annealed at 750 \u00b0C under argon for 2 h. The resultant products were denoted as Sn1@NC."
+ },
+ {
+ "id": 294,
+ "sac_id": "Atom: Ir\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ir\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanogermoxane (C2N2GeX2, 300 mg), ligand 1-allyl-1H-imidazole (670 mg), and anhydrous K2CO3 (1.59 g) were added to a round bottom flask with 50 mL of acetonitrile and refluxed at 80 \u00b0C for 12 h. After cooling to room temperature, the solid was filtered off, and the liquid part was concentrated using a rotary evaporator. The obtained crude product was purified by silica gel flash column chromatography with hexane/ethyl acetate as the eluent to afford compound 1 in 65% yield. Then, compound 1 (300 mg), Pd/C (40 mg), and an excess amount of methyl iodide (1.5 mL) were added to a round bottom flask with 30 mL of methanol and refluxed at 80 \u00b0C for 12 h. After cooling to room temperature, the solvent was removed under reduced pressure. The obtained crude product was purified by silica gel flash column chromatography with hexane/ethyl acetate as the eluent to afford compound 2 in 75% yield. 2 was mixed with K2CO3 (1.59 g) and anhydrous K2CO3 (1.59 g) in a round bottom flask with 30 mL of acetonitrile and refluxed at 80 \u00b0C for 12 h. After cooling to room temperature, the solid was filtered off, and the liquid part was concentrated using a rotary evaporator. The obtained crude product was purified by silica gel flash column chromatography with hexane/ethyl acetate as the eluent to afford compound 3 in 65% yield. Finally, compound 3 (300 mg), Zn(NO3)2\u00b76H2O (1.16 g), 2-methylimidazole (1.21 g), and DMF (30 mL) were added to a round bottom flask and refluxed at 140 \u00b0C for 12 h. After cooling to room temperature, the solid precipitate was collected by centrifugation, washed with methanol three times, and dried under vacuum at 80 \u00b0C for 12 h to afford ZIF-8 in 75% yield.\n\nSynthesis of Ir-ZIF-8: The synthesis procedure is similar to the synthesis of ZIF-8, but with the addition of IrCl3\u00b7H2O (10 mg) to the reaction mixture.\n\nPyrolysis of Ir-ZIF-8: The as-synthesized Ir-ZIF-8 powder (100 mg) was heated to 900 \u00b0C at a rate of 5 \u00b0C min^-1 and maintained at this temperature for 3 h under an Ar flow. After cooling to room temperature, the black powder was soaked in 0.5 M H2SO4 at 60 \u00b0C for 12 h to remove residual metal clusters. Then, the solid was washed to neutrality, filtered, and dried under vacuum at 80 \u00b0C overnight to afford Ir@NC in 85% yield.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, S-PPy was prepared by an oxidation polymerization reaction. The oxidant ammonia persulfate (1.13 g) was dissolved in 20 ml H2O and added slowly under stirring to 200 mL 1 M hydrochloride acid containing 0.72g CTAB, 0.33 g pyrrole monomer, and 0.25 g P-TSNa. The polymerization was carried out at 0-5 \u00b0C for 24 h. The precipitate was washed several times with deionized water until the filtrate became neutral, and further washed with ethanol and acetone several times. The resulting powder was dried overnight at 80 \u00b0C in a vacuum oven. The reference PPy was prepared in a similar way to S-PPy, but without P-TSNa.\nSAC synthesis: In a typical synthesis, 50 mg PPy powders were mixed with 50 ml ethanol by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol iridium salts were then added into the dispersion, with vigorous stirring until the ethanol evaporated out, forming S-PPy-Ir x+ mixtures, respectively. Finally, the mixtures were annealed at 750 \u00b0C under argon for 2 h. The resultant products were denoted as Ir1@NC."
+ },
+ {
+ "id": 295,
+ "sac_id": "Atom: Ni\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 0.25 g glucose, 10 mg nickel chloride hexahydrate (NiCl\u2082\u00b76H\u2082O), and 3.75 g sodium citrate (Na3C6H5O7) were added into 40 mL deionized water under magnetic stirring for 12 h at 80 \u00b0C to form a homogeneous solution. 40 mL of the above solution was transferred to a Teflon-lined autoclave and heated at 140 \u00b0C for 6 h. After cooling to room temperature, the obtained precipitates were washed with deionized water several times and dried in a vacuum oven at 60 \u00b0C overnight.\nSAC synthesis: The as-prepared NiO@C precursors were placed in a tube furnace and heated to 900 \u00b0C for 2 h at a ramp rate of 5 \u00b0C min\u207b\u00b9 under flowing argon gas to obtain Ni-SAs/NC samples.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, S-PPy was prepared by an oxidation polymerization reaction. The oxidant ammonia persulfate (1.13 g) was dissolved in 20 ml H2O and added slowly under stirring to 200 mL 1 M hydrochloride acid containing 0.72g CTAB, 0.33 g pyrrole monomer, and 0.25 g P-TSNa. The polymerization was carried out at 0-5 \u00b0C for 24 h. The precipitate was washed several times with deionized water until the filtrate became neutral, and further washed with ethanol and acetone several times. The resulting powder was dried overnight at 80 \u00b0C in a vacuum oven. The reference PPy was prepared in a similar way to S-PPy, but without P-TSNa.\nSAC synthesis: In a typical synthesis, 50 mg PPy powders were mixed with 50 ml ethanol by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol nickel salts were then added into the dispersion, with vigorous stirring until the ethanol evaporated out, forming S-PPy-Ni x+ mixtures, respectively. Finally, the mixtures were annealed at 750 \u00b0C under argon for 2 h. The resultant products were denoted as Ni1@NC."
+ },
+ {
+ "id": 296,
+ "sac_id": "Atom: Ag\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ag\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanoguanidine (2 g), zinc chloride (6.5 g), and 30 mL of methanol were mixed in a beaker and stirred for 1 h at room temperature. Then, 20 mL of saturated saline solution was added to the mixture, and it was stirred for another 10 min. The suspension was centrifuged, and the precipitate was washed with ethanol three times and dried under vacuum at 80 \u00b0C overnight. Zn3(DCG)2 was obtained as a light yellow powder.\n\nSynthesis of ZIF-8/Zn3(DCG)2: A mixture of ZIF-8 (100 mg) and Zn3(DCG)2 (100 mg) was dispersed in 10 mL of methanol and sonicated for 10 min. The resulting solution was transferred into a Teflon-lined autoclave and heated at 100 \u00b0C for 12 h. After cooling down to room temperature, the solid product was collected by centrifugation and washed with deionized water and ethanol several times. Drying under vacuum at 80 \u00b0C yielded the final product as a light yellow powder.\n\nPyrolysis of ZIF-8/Zn3(DCG)2: The ZIF-8/Zn3(DCG)2 composite was pyrolyzed in a tube furnace under flowing Ar gas at a heating rate of 5 \u00b0C min^-1 up to 900 \u00b0C and kept there for 3 h. The obtained sample was denoted as NC/Ag.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, S-PPy was prepared by an oxidation polymerization reaction. The oxidant ammonia persulfate (1.13 g) was dissolved in 20 ml H2O and added slowly under stirring to 200 mL 1 M hydrochloride acid containing 0.72g CTAB, 0.33 g pyrrole monomer, and 0.25 g P-TSNa. The polymerization was carried out at 0-5 \u00b0C for 24 h. The precipitate was washed several times with deionized water until the filtrate became neutral, and further washed with ethanol and acetone several times. The resulting powder was dried overnight at 80 \u00b0C in a vacuum oven. The reference PPy was prepared in a similar way to S-PPy, but without P-TSNa.\nSAC synthesis: In a typical synthesis, 50 mg PPy powders were mixed with 50 ml ethanol by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol silver salts were then added into the dispersion, with vigorous stirring until the ethanol evaporated out, forming S-PPy-Ag x+ mixtures, respectively. Finally, the mixtures were annealed at 750 \u00b0C under argon for 2 h. The resultant products were denoted as Ag1@NC."
+ },
+ {
+ "id": 297,
+ "sac_id": "Atom: Co\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 0.25 g of cobalt chloride hexahydrate (CoCl\u2082\u00b76H\u2082O) was dissolved in 10 mL of ethanol and stirred for 30 min at room temperature. The resulting solution was added dropwise to 10 mL of a dopamine hydrochloride (DAHCl, 0.25 M) ethanol solution under vigorous stirring. The mixture was then stirred at room temperature for 48 h. The products were collected by centrifugation, washed with deionized water and ethanol thrice, and dried at 60 \u00b0C overnight.\nSAC synthesis: The as-prepared polydopamine (PDA) precursor was placed in a tube furnace and heated to 700 \u00b0C at a ramp rate of 5 \u00b0Cmin\u207b\u00b9 and kept for 2 h in a flowing argon atmosphere. After cooling down to room temperature naturally, the product was denoted as SACs (Co, PDA@C). For comparison, SACs without metal was also prepared using the same procedure except that no cobalt chloride hexahydrate was added during the preparation process. The as-prepared polydopamine (PDA) precursor was heated to 900 \u00b0C at a ramp rate of 5 \u00b0Cmin\u207b\u00b9 and kept for 2 h in a flowing argon atmosphere. After cooling down to room temperature naturally, the product was denoted as SACs-900 (Co, PDA@C).",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, S-PPy was prepared by an oxidation polymerization reaction. The oxidant ammonia persulfate (1.13 g) was dissolved in 20 ml H2O and added slowly under stirring to 200 mL 1 M hydrochloride acid containing 0.72g CTAB, 0.33 g pyrrole monomer, and 0.25 g P-TSNa. The polymerization was carried out at 0-5 \u00b0C for 24 h. The precipitate was washed several times with deionized water until the filtrate became neutral, and further washed with ethanol and acetone several times. The resulting powder was dried overnight at 80 \u00b0C in a vacuum oven. The reference PPy was prepared in a similar way to S-PPy, but without P-TSNa.\nSAC synthesis: In a typical synthesis, 50 mg PPy powders were mixed with 50 ml ethanol by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol cobalt salts were then added into the dispersion, with vigorous stirring until the ethanol evaporated out, forming S-PPy-Co x+ mixtures, respectively. Finally, the mixtures were annealed at 750 \u00b0C under argon for 2 h. The resultant products were denoted as Co1@NC."
+ },
+ {
+ "id": 298,
+ "sac_id": "Atom: Rh\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Rh\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 0.25 g glucose, 10 mg rhodium chloride hydrate (RhCl3\u00b7xH2O), and 10 mg dicyandiamide were dispersed in 40 mL deionized water and stirred for 12 h at room temperature to obtain a homogeneous solution. The solution was then frozen by liquid nitrogen and freeze-dried at -50 \u00b0C for 72 h in vacuum to remove the solvent.\nSAC synthesis: The as-obtained powders were heated to 600 \u00b0C at a rate of 3 \u00b0C min-1 over 3 h in an argon flow (10 mL min-1). The powder was leached with 2 M HNO3 at 80 \u00b0C for 12 h to remove metal particles. Subsequently, the samples were washed with deionized water until neutral and dried in vacuum at 60 \u00b0C overnight.\nNitrogen doping: The dried samples were placed in a tube furnace and heated to 900 \u00b0C at a rate of 5 \u00b0C min-1 over 3 h under an argon flow (10 mL min-1).",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, S-PPy was prepared by an oxidation polymerization reaction. The oxidant ammonia persulfate (1.13 g) was dissolved in 20 ml H2O and added slowly under stirring to 200 mL 1 M hydrochloride acid containing 0.72g CTAB, 0.33 g pyrrole monomer, and 0.25 g P-TSNa. The polymerization was carried out at 0-5 \u00b0C for 24 h. The precipitate was washed several times with deionized water until the filtrate became neutral, and further washed with ethanol and acetone several times. The resulting powder was dried overnight at 80 \u00b0C in a vacuum oven. The reference PPy was prepared in a similar way to S-PPy, but without P-TSNa.\nSAC synthesis: In a typical synthesis, 50 mg PPy powders were mixed with 50 ml ethanol by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol rhodium salts were then added into the dispersion, with vigorous stirring until the ethanol evaporated out, forming S-PPy-Rh x+ mixtures, respectively. Finally, the mixtures were annealed at 750 \u00b0C under argon for 2 h. The resultant products were denoted as Rh1@NC."
+ },
+ {
+ "id": 299,
+ "sac_id": "Atom: Ru\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ru\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 0.24 g of RuCl3\u00b7xH2O was dissolved in 10 mL of deionized water to form solution A. 0.5 g of dopamine hydrochloride was added into 10 mL of deionized water to form solution B. After ultrasonication for 5 minutes, solution B was added dropwise to solution A with magnetic stirring. The mixture was heated at 80 \u00b0C for 6 hours to obtain a solid precipitate.\nSAC Synthesis: The Ru-N4/NC sample was prepared by pyrolysis of the Ru-DA/NC precursor at 900 \u00b0C under an Ar atmosphere.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, S-PPy was prepared by an oxidation polymerization reaction. The oxidant ammonia persulfate (1.13 g) was dissolved in 20 ml H2O and added slowly under stirring to 200 mL 1 M hydrochloride acid containing 0.72g CTAB, 0.33 g pyrrole monomer, and 0.25 g P-TSNa. The polymerization was carried out at 0-5 \u00b0C for 24 h. The precipitate was washed several times with deionized water until the filtrate became neutral, and further washed with ethanol and acetone several times. The resulting powder was dried overnight at 80 \u00b0C in a vacuum oven. The reference PPy was prepared in a similar way to S-PPy, but without P-TSNa.\nSAC synthesis: In a typical synthesis, 50 mg PPy powders were mixed with 50 ml ethanol by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol ruthenium salts were then added into the dispersion, with vigorous stirring until the ethanol evaporated out, forming S-PPy-Ru x+ mixtures, respectively. Finally, the mixtures were annealed at 750 \u00b0C under argon for 2 h. The resultant products were denoted as Ru1@NC."
+ },
+ {
+ "id": 300,
+ "sac_id": "Atom: Pb\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pb\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: Zn(NO3)2\u00b76H2O (1.069 g) was dissolved in N, N'-dimethylformamide (DMF) and methanol solution (10 mL, 8:2 v/v), then 2-methylimidazole (1.156 g) was added with stirring for 10 min. This mixture was transferred into a Teflon-lined bomb and heated at 120 \u00b0C for 4 h. The as-obtained precipitate was centrifuged, washed with ethanol several times, and dried at 70 \u00b0C under vacuum overnight. After drying, the sample was transferred into a glass bottle, followed by sealing and heating at 550 \u00b0C for 4 h with a heating rate of 5 \u00b0C min-1 in air. Finally, the product was etched with HCl solution (1 M) for 24 h to remove unstable zinc oxides. ZIF-8@ZnO (100 mg) was dispersed in 50 mL methanol solution containing lead acetate (20 mg), and then ultrasonicated for 1 h. The mixture was further heated at 80 \u00b0C for 4 h. The precipitates were collected by centrifugation and washed with methanol three times. Drying the samples in vacuum at 70 \u00b0C overnight yielded PbZnO. PbZnO (50 mg) was dispersed in 50 mL methanol solution containing dopamine hydrochloride (200 mg), and then ultrasonicated for 1 h. The mixture was further heated at 60 \u00b0C for 4 h. The precipitates were collected by centrifugation and washed with methanol three times. After drying in vacuum at 70 \u00b0C overnight, the resulting powder was ground for further use. Then, the above-mentioned power was added into the mixed solution of NaCl (100 mg), KCl (100 mg), and DI water (10 mL). After sonication for 10 min, the mixture was transferred into an autoclave and heated at 180 \u00b0C for 12 h. The as-obtained products were centrifuged, washed with deionized water several times, and dried at 70 \u00b0C under vacuum overnight. Finally, the sample was transferred into a tube furnace, heated at 550 \u00b0C for 4 h with a heating rate of 5 \u00b0C min-1 in Ar. The final product was denoted as Pb-NC/P-K.\nSynthesis of Pb-NC/P-Na: The procedure is similar to that of Pb-NC/P-K, except that NaCl (100 mg) was used.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, S-PPy was prepared by an oxidation polymerization reaction. The oxidant ammonia persulfate (1.13 g) was dissolved in 20 ml H2O and added slowly under stirring to 200 mL 1 M hydrochloride acid containing 0.72g CTAB, 0.33 g pyrrole monomer, and 0.25 g P-TSNa. The polymerization was carried out at 0-5 \u00b0C for 24 h. The precipitate was washed several times with deionized water until the filtrate became neutral, and further washed with ethanol and acetone several times. The resulting powder was dried overnight at 80 \u00b0C in a vacuum oven. The reference PPy was prepared in a similar way to S-PPy, but without P-TSNa.\nSAC synthesis: In a typical synthesis, 50 mg PPy powders were mixed with 10 ml 0.1 M hydrochloric acid and 20 ml H2O by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol lead salts were then added into the dispersion, with vigorous stirring until the ethanol evaporated out, forming S-PPy-Pb x+ mixtures, respectively. Finally, the mixtures were annealed at 750 \u00b0C under argon for 2 h. The resultant products were denoted as Pb1@NC."
+ },
+ {
+ "id": 301,
+ "sac_id": "Atom: V\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: V\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 0.25 g of vanadium(III) chloride hexahydrate was dissolved in 10 mL of deionized water to form a homogeneous solution. 1 g of dopamine hydrochloride and 0.375 g of pyromellitic dianhydride were added to the above solution with continuous stirring for 12 h at room temperature. The resulting suspension was collected by centrifugation, dried at 60 \u00b0C overnight, and ground to powder.\nSacrificial template formation: 4 g of APTMS-modified silica particles were dispersed in 10 mL of deionized water under sonication for 10 min. 200 mg of as-prepared precursors were dispersed into the above solution with continuous stirring for 12 h at room temperature. The mixture was centrifuged, dried, and then annealed at 800 \u00b0C for 2 h under Ar atmosphere with a ramp rate of 5 \u00b0C min^-1. The product was etched in 1 M NaOH for 12 h to remove the silica core. The mixture was centrifuged and washed several times with deionized water and ethanol. Finally, the sample was dried at 60 \u00b0C for 12 h.\n\nAnode fabrication: 3 mg of laccase-derived VNCs/NCs were mixed with 15 wt.% polyvinylidene fluoride (PVDF) and 85 wt.% acetone to form a uniform slurry. The obtained slurry was coated onto a polyethylene terephthalate (PET) film by doctor blade method and dried at 60 \u00b0C for 12 h. A current density of 0.1 mA cm^-2 was applied to the electrode to activate the surface. Al foil was used as the current collector and coin cell was used as the working electrode to investigate the electrochemical performance.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, S-PPy was prepared by an oxidation polymerization reaction. The oxidant ammonia persulfate (1.13 g) was dissolved in 20 ml H2O and added slowly under stirring to 200 mL 1 M hydrochloride acid containing 0.72g CTAB, 0.33 g pyrrole monomer, and 0.25 g P-TSNa. The polymerization was carried out at 0-5 \u00b0C for 24 h. The precipitate was washed several times with deionized water until the filtrate became neutral, and further washed with ethanol and acetone several times. The resulting powder was dried overnight at 80 \u00b0C in a vacuum oven. The reference PPy was prepared in a similar way to S-PPy, but without P-TSNa.\nSAC synthesis: In a typical synthesis, 50 mg PPy powders were mixed with 50 ml ethanol by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol vanadium salts were then added into the dispersion, with vigorous stirring until the ethanol evaporated out, forming S-PPy-V x+ mixtures, respectively. Finally, the mixtures were annealed at 750 \u00b0C under argon for 2 h. The resultant products were denoted as V1@NC."
+ },
+ {
+ "id": 302,
+ "sac_id": "Atom: Bi\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Bi\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanoguanidine (2 g), zinc chloride (20 mg), and biomass keratin protein (1 g) were ground into a homogeneous precursor using a mortar and pestle.\nAnnealing: The mixture was anneled at 550 \u00b0C for 2 h and then at 900 \u00b0C for 1 h under N2 atmosphere with a heating rate of 3 \u00b0C min-1. The resulting solid was washed with dilute hydrochloric acid (2 M) and ethanol to remove impurities, followed by typical drying under vacuum at 60 \u00b0C overnight.\n\nAtom/support synthesis: A simple physical adsorption method was employed to anchor Bi nanoparticles onto nitrogen-doped carbon (Bi/NC). Specifically, 20 mg of NC and 20 \u03bcL of sodium borohydride solution (containing 0.7 mol L-1 Bi(NO3)2) were added to 2 mL of deionized water, forming a dispersion that was stirred for 12 h at room temperature. Subsequently, the solid was collected via centrifugation, washing with ethanol, and drying under vacuum.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, S-PPy was prepared by an oxidation polymerization reaction. The oxidant ammonia persulfate (1.13 g) was dissolved in 20 ml H2O and added slowly under stirring to 200 mL 1 M hydrochloride acid containing 0.72g CTAB, 0.33 g pyrrole monomer, and 0.25 g P-TSNa. The polymerization was carried out at 0-5 \u00b0C for 24 h. The precipitate was washed several times with deionized water until the filtrate became neutral, and further washed with ethanol and acetone several times. The resulting powder was dried overnight at 80 \u00b0C in a vacuum oven. The reference PPy was prepared in a similar way to S-PPy, but without P-TSNa.\nSAC synthesis: In a typical synthesis, 50 mg PPy powders were mixed with 10 ml 0.1 M hydrochloric acid and 20 ml H2O by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol bismuth salts were then added into the dispersion, with vigorous stirring until the ethanol evaporated out, forming S-PPy-Bi x+ mixtures, respectively. Finally, the mixtures were annealed at 750 \u00b0C under argon for 2 h. The resultant products were denoted as Bi1@NC."
+ },
+ {
+ "id": 303,
+ "sac_id": "Atom: Ge\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ge\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 0.25 g of gelatin, 0.15 mmol of zinc nitrate hexahydrate, and 0.15 mmol of cobalt nitrate hexahydrate were dissolved in 4 mL of 1 M sodium citrate buffer solution (pH = 7).\nSAC synthesis: The mixture was then transferred into a Teflon-lined autoclave and heated at 95 \u00b0C for 3 h. After cooling to room temperature, the solid precipitate was centrifuged, rinsed with deionized water three times, and dried in an oven overnight. The as-synthesized samples were denoted as SACs-ZnCo-Gel.\nN-C synthesis: The SACs-ZnCo-Gel sample was placed in a tube furnace and annealed at 800 \u00b0C for 2 h under Ar gas flow (100 sccm) when the temperature reached the target temperature. After cooling to room temperature, the product was collected for further characterization.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, S-PPy was prepared by an oxidation polymerization reaction. The oxidant ammonia persulfate (1.13 g) was dissolved in 20 ml H2O and added slowly under stirring to 200 mL 1 M hydrochloride acid containing 0.72g CTAB, 0.33 g pyrrole monomer, and 0.25 g P-TSNa. The polymerization was carried out at 0-5 \u00b0C for 24 h. The precipitate was washed several times with deionized water until the filtrate became neutral, and further washed with ethanol and acetone several times. The resulting powder was dried overnight at 80 \u00b0C in a vacuum oven. The reference PPy was prepared in a similar way to S-PPy, but without P-TSNa.\nSAC synthesis: In a typical synthesis, 50 mg PPy powders were mixed with 50 ml ethanol by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol germanium salts were then added into the dispersion, with vigorous stirring until the ethanol evaporated out, forming S-PPy-Ge x+ mixtures, respectively. Finally, the mixtures were annealed at 750 \u00b0C under argon for 2 h. The resultant products were denoted as Ge1@NC."
+ },
+ {
+ "id": 304,
+ "sac_id": "Atom: Cu\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanoguanidine (2 g), zinc chloride (6.5 g), and copper chloride (0.3 g) were added into a 50 mL Schlenk flask with 30 mL deionized water under sonication for 10 min until the formation of a homogeneous dispersion. The mixture was then transferred to an oil bath and heated at 90 \u00b0C for 8 h. After that, the precipitate was collected by centrifugation, washed with ethanol and deionized water three times, and dried in vacuum at room temperature overnight. Metal salts containing Zn and Cu were selected as the precursors due to their high boiling points, which can prevent the evaporation of water during the polymerization process. Moreover, the high melting point also ensures the thermal stability of the resulting materials during the subsequent pyrolysis process.\n\nPolymerization: A schlenk tube with a magnetic stir bar was charged with 1,4-dicyanoguanidine (2 g), zinc chloride (6.5 g), copper chloride (0.3 g), and methanol (30 mL). After sonication for 10 min, triphenylphosphine (10 mg) dissolved in methanol (2 mL) was injected into the above solution. Then the reaction was kept stirring at room temperature for 1 h. Afterward, the precipitate was collected by centrifugation, washed with methanol three times, and dried in vacuum at room temperature overnight.\n\nPyrolysis: The obtained powder from the polymerization process was placed in a tube furnace and heated to 700 \u00b0C at a rate of 5 \u00b0C/min for 3 h under Ar gas flow. After cooling down to room temperature naturally, the black product NC-Cu was obtained.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, S-PPy was prepared by an oxidation polymerization reaction. The oxidant ammonia persulfate (1.13 g) was dissolved in 20 ml H2O and added slowly under stirring to 200 mL 1 M hydrochloride acid containing 0.72g CTAB, 0.33 g pyrrole monomer, and 0.25 g P-TSNa. The polymerization was carried out at 0-5 \u00b0C for 24 h. The precipitate was washed several times with deionized water until the filtrate became neutral, and further washed with ethanol and acetone several times. The resulting powder was dried overnight at 80 \u00b0C in a vacuum oven. The reference PPy was prepared in a similar way to S-PPy, but without P-TSNa.\nSAC synthesis: In a typical synthesis, 50 mg PPy powders were mixed with 50 ml ethanol by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol copper salts were then added into the dispersion, with vigorous stirring until the ethanol evaporated out, forming S-PPy-Cu x+ mixtures, respectively. Finally, the mixtures were annealed at 750 \u00b0C under argon for 2 h. The resultant products were denoted as Cu1@NC."
+ },
+ {
+ "id": 305,
+ "sac_id": "Atom: Pd\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 1,10-phenanthroline (20 mg), ZIF-8 (400 mg), and Pd(acac)2 (20 mg) were added to deionized water (10 mL). The mixture was ultrasonicated for 3 min to form a homogeneous solution. Afterward, the solvent was evaporated at 60 \u00b0C under stirring. The obtained powder was transferred into an aluminum oxide crucible and placed in a tube furnace. First, it was heated to 950 \u00b0C with a heating rate of 2.3 \u00b0C/min and maintained for 3 h. Subsequently, the temperature was raised to 1000 \u00b0C with a ramping rate of 2.7 \u00b0C/min and kept for another 3 h. Finally, the sample was cooled down to room temperature naturally. The resultant product was ground into a fine powder and denoted as Pd/PdO/P-NC.\n\nNote: The compounds formed by metal oxides and metals are named as X/XO/P-NC. For example, Pd/PdO/P-NC means that Pd atoms and PdO nanoparticles are dispersed on the nitrogen-doped carbon support.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, S-PPy was prepared by an oxidation polymerization reaction. The oxidant ammonia persulfate (1.13 g) was dissolved in 20 ml H2O and added slowly under stirring to 200 mL 1 M hydrochloride acid containing 0.72g CTAB, 0.33 g pyrrole monomer, and 0.25 g P-TSNa. The polymerization was carried out at 0-5 \u00b0C for 24 h. The precipitate was washed several times with deionized water until the filtrate became neutral, and further washed with ethanol and acetone several times. The resulting powder was dried overnight at 80 \u00b0C in a vacuum oven. The reference PPy was prepared in a similar way to S-PPy, but without P-TSNa.\nSAC synthesis: In a typical synthesis, 50 mg PPy powders were mixed with 50 ml ethanol by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol palladium salts were then added into the dispersion, with vigorous stirring until the ethanol evaporated out, forming S-PPy-Pd x+ mixtures, respectively. Finally, the mixtures were annealed at 750 \u00b0C under argon for 2 h. The resultant products were denoted as Pd1@NC."
+ },
+ {
+ "id": 306,
+ "sac_id": "Atom: Mn\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Mn\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 0.15 g of MnCl2\u00b74H2O and 0.8 g of dopamine hydrochloride were dispersed in 60 mL of deionized water, followed by stirring for 30 min. The mixture was then transferred to a Teflon-lined autoclave at 100 \u00b0C for 6 h. After cooling to room temperature, the obtained Mn-DA was centrifuged with deionized water for several times and dried at 60 \u00b0C overnight.\nSynthesis of Mn/NC: A two-step pyrolysis method was employed to prepare Mn/NC. First, 600 mg of as-synthesized Mn-DA powder was placed in a tube furnace and heated to 600 \u00b0C with a heating rate of 2 \u00b0C/min under flowing Ar gas and held for 2 h. Second, 200 mg of the obtained product from the first step was placed in a crucible, heated to 800 \u00b0C with a heating rate of 3 \u00b0C/min under flowing Ar gas and held for 2 h. After that, the furnace was cooled down to room temperature naturally under Ar protection.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, S-PPy was prepared by an oxidation polymerization reaction. The oxidant ammonia persulfate (1.13 g) was dissolved in 20 ml H2O and added slowly under stirring to 200 mL 1 M hydrochloride acid containing 0.72g CTAB, 0.33 g pyrrole monomer, and 0.25 g P-TSNa. The polymerization was carried out at 0-5 \u00b0C for 24 h. The precipitate was washed several times with deionized water until the filtrate became neutral, and further washed with ethanol and acetone several times. The resulting powder was dried overnight at 80 \u00b0C in a vacuum oven. The reference PPy was prepared in a similar way to S-PPy, but without P-TSNa.\nSAC synthesis: In a typical synthesis, 50 mg PPy powders were mixed with 50 ml ethanol by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol manganese salts were then added into the dispersion, with vigorous stirring until the ethanol evaporated out, forming S-PPy-Mn x+ mixtures, respectively. Finally, the mixtures were annealed at 750 \u00b0C under argon for 2 h. The resultant products were denoted as Mn1@NC."
+ },
+ {
+ "id": 307,
+ "sac_id": "Atom: Pt\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanoguanidine (2 g), zinc chloride (20 mg), and cetyltrimethylammonium bromide (CTAB, 3.57 g) were dissolved in deionized water (80 mL). A solution containing potassium hexacyanoferrate (K3[Fe(CN)6], 9.6 g) in water (80 mL) was then added to the above solution dropwise under vigorous stirring for 5 h at room temperature. The resulting suspension was transferred into a 100 mL Teflon-lined stainless-steel autoclave and heated at 180 \u00b0C for 6 h. After cooling down naturally, the black solid product was collected by centrifugation, rinsed with water three times, and dried at 60 \u00b0C overnight.\n\nSynthesis of Fe-N-C: The obtained black solid product was calcined in N2 atmosphere at 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C/min. The resulting powder was dispersed in 0.5 M H2SO4 solution and stirred at 80 \u00b0C for 12 h. After washing with water until the pH value of the solution became neutral, the powder was dried at 60 \u00b0C overnight to obtain Fe-N-C.\n\nPrecursor preparation: Fe-N-C (300 mg) was dispersed in water (150 mL) with ultrasonication for 30 min. A solution containing H2PtCl6\u00b76H2O (150 mg) in water (10 mL) was added dropwise to the above suspension under vigorous stirring for 5 h. The mixture was then subjected to vacuum freeze-drying to remove water. The obtained black solid was ground thoroughly and calcined in N2 atmosphere at 350 \u00b0C for 2 h. After cooling down naturally, the powder was leached in 0.5 M H2SO4 solution at 80 \u00b0C for 12 h to remove unstable metal species. After filtration, the resulting black solid was dried at 60 \u00b0C overnight to obtain Pt/Fe-N-C.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, S-PPy was prepared by an oxidation polymerization reaction. The oxidant ammonia persulfate (1.13 g) was dissolved in 20 ml H2O and added slowly under stirring to 200 mL 1 M hydrochloride acid containing 0.72g CTAB, 0.33 g pyrrole monomer, and 0.25 g P-TSNa. The polymerization was carried out at 0-5 \u00b0C for 24 h. The precipitate was washed several times with deionized water until the filtrate became neutral, and further washed with ethanol and acetone several times. The resulting powder was dried overnight at 80 \u00b0C in a vacuum oven. The reference PPy was prepared in a similar way to S-PPy, but without P-TSNa.\nSAC synthesis: In a typical synthesis, 50 mg PPy powders were mixed with 50 ml ethanol by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol platinum salts were then added into the dispersion, with vigorous stirring until the ethanol evaporated out, forming S-PPy-Pt x+ mixtures, respectively. Finally, the mixtures were annealed at 750 \u00b0C under argon for 2 h. The resultant products were denoted as Pt1@NC."
+ },
+ {
+ "id": 308,
+ "sac_id": "Atom: Fe\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanogermoxane (C2N2GeX2, 300 mg), zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O, 5.98 g), triethylamine (NEt3, 1 mL) and methanol (MeOH, 20 mL) were mixed in a 100 mL Teflon lined stainless steel autoclave and heated at 180 \u00b0C for 24 h. After cooling to room temperature, the precipitate was collected by centrifugation, washed with ethanol and dried under vacuum to afford GeMOF.\nSynthesis of Ge-NC: In a typical procedure, 200 mg GeMOF powder was dispersed in 20 mL ethanol containing 1.0 g dopamine hydrochloride by ultrasonication for 30 min. The mixture was stirred continuously for 24 h, then collected by centrifugation, washed with ethanol and dried overnight. Next, the obtained product was transferred into a ceramic boat and placed in a tube furnace. The sample was heated to 700 \u00b0C at a rate of 2 \u00b0C/min and kept at this temperature for 2 h under flowing Ar gas, and then naturally cooled to room temperature. The final product is named Ge-NC.\n\nFerromagnetic ordering measurement: Superconducting Quantum Interference Device (SQUID) magnetometry measurements on a ViVAM 5700 VSM were performed to evaluate the magnetic properties of the samples. The measurements were carried out at room temperature.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, S-PPy was prepared by an oxidation polymerization reaction. The oxidant ammonia persulfate (1.13 g) was dissolved in 20 ml H2O and added slowly under stirring to 200 mL 1 M hydrochloride acid containing 0.72g CTAB, 0.33 g pyrrole monomer, and 0.25 g P-TSNa. The polymerization was carried out at 0-5 \u00b0C for 24 h. The precipitate was washed several times with deionized water until the filtrate became neutral, and further washed with ethanol and acetone several times. The resulting powder was dried overnight at 80 \u00b0C in a vacuum oven. The reference PPy was prepared in a similar way to S-PPy, but without P-TSNa.\nSAC synthesis: In a typical synthesis, 50 mg PPy powders were mixed with 50 ml ethanol by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol iron salts were then added into the dispersion, with vigorous stirring until the ethanol evaporated out, forming S-PPy-Fe x+ mixtures, respectively. Finally, the mixtures were annealed at 750 \u00b0C under argon for 2 h. The resultant products were denoted as Fe1@NC."
+ },
+ {
+ "id": 309,
+ "sac_id": "Atom: Mo\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Mo\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 0.25 g of Zn(NO3)2\u00b76H2O and 0.41 g of 2-methylimidazole were dissolved in 8 mL of methanol, respectively. The above two solutions were mixed with vigorous stirring for 1 hour at room temperature. Then the solution was kept static for 24 hours. The precipitates were collected by centrifugation, and washed three times with methanol. The obtained product was dried at 70 \u00b0C overnight under vacuum.\n\nSynthesis of NC: Typically, 0.1 g of dopamine hydrochloride was dissolved in a mixture of 10 mL of deionized water and 10 mL of ethanol with stirring for 1 h. The as-prepared ZIF-8 precursor (0.1 g) was added to the above solution followed by ultrasonication for another 1 h. The mixture was then heated at 95 \u00b0C for 24 h. After cooling down to room temperature, the precipitates were collected by centrifugation, and washed three times with deionized water. Finally, the products were dried at 70 \u00b0C overnight under vacuum.\n\nPyrolysis: The as-obtained samples were heated to 800 \u00b0C at a rate of 5 \u00b0C min^-1 and maintained for 3 h under an argon atmosphere. The final product was denoted as Mo/NC.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, S-PPy was prepared by an oxidation polymerization reaction. The oxidant ammonia persulfate (1.13 g) was dissolved in 20 ml H2O and added slowly under stirring to 200 mL 1 M hydrochloride acid containing 0.72g CTAB, 0.33 g pyrrole monomer, and 0.25 g P-TSNa. The polymerization was carried out at 0-5 \u00b0C for 24 h. The precipitate was washed several times with deionized water until the filtrate became neutral, and further washed with ethanol and acetone several times. The resulting powder was dried overnight at 80 \u00b0C in a vacuum oven. The reference PPy was prepared in a similar way to S-PPy, but without P-TSNa.\nSAC synthesis: In a typical synthesis, 50 mg PPy powders were mixed with 50 ml ethanol by ultra-sonification for 30 min to form a homogeneous dispersion. 0.0075 mmol molybdenum salts were then added into the dispersion, with vigorous stirring until the ethanol evaporated out, forming S-PPy-Mo x+ mixtures, respectively. Finally, the mixtures were annealed at 750 \u00b0C under argon for 2 h. The resultant products were denoted as Mo1@NC."
+ }
+ ]
+ },
+ "elsevier": {
+ "Experimental-investigation-and-theoretical-exploration-of-single-atom-electrocatalysis-in-hybrid-photovoltaics:-The-powerful-role-of-Pt-atoms-in-triiodide-reduction": [
+ {
+ "id": 310,
+ "sac_id": "Atom: Pt\nSupport Material: FeOx\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: FeOx\n\n",
+ "predicted": "Precursor synthesis: The Pt/FeOx catalysts were prepared by incipient wetness impregnation using chloroplatinic acid as the precursor. After impregnation, the samples were dried at 80 \u00b0C overnight and then calcined in air at 500 \u00b0C for 4 h with a heating rate of 5 \u00b0C/min.\nCatalyst characterization: The CO chemisorption amount on the catalyst surface was measured by an Aethalic Flow-Through Micro-GC Analyzer (Aethalic FT-Micro GC) to determine the dispersion of Pt species. The Pt/FeOx catalysts with different Pt loadings (0.1, 0.2, 0.3, and 0.4 wt.%) were used for the calibration curve. The linear regression equation is y = -0.069x + 1.075 (R\u00b2 = 0.99), where y represents the CO concentration (ppm), and x represents the number of CO molecules adsorbed per Pt atom.\n\nCO oxidation activity test: The CO oxidation activities of all catalysts were evaluated under steady-state conditions at 150 \u00b0C using a microreactor system (Flow-through Quartz Microreactor System, QFT-42, Perfect-Light). The reaction pressure was set to 1 atm, and the flow rates of N2, O2, and CO were 10, 2, and 1 mL/min, respectively. The gas products were analyzed by an online gas chromatograph (Agilent 7890B).\n\nCatalyst stability evaluation: To evaluate the stability of the catalysts, the CO oxidation activity tests were conducted after 20 consecutive reaction cycles. The catalysts were first treated with 1% O2/N2 at 300 \u00b0C for 1 h before each reaction cycle to ensure a comparable initial activity.",
+ "ground_truth": "Precursor synthesis: Ferric Nitrate (Fe(NO3)3\u00b79H2O), Chloroplatinic Acid (H2PtCl6\u00b76H2O), Sodium Carbonate (Na2CO3).\nSAC synthesis: The SACs of Pt1/FeOx with different Pt loadings were prepared according to the previous work [2], and bare iron oxide (FeOx) was used as the control sample for parallel comparisons. Typically, the method of co-precipitation was used and performed at 50 \u00b0C in an aqueous solution, which utilized ferric nitrate (Fe(NO3)3\u00b79H2O, 1.0 M), chloroplatinic acid (H2PtCl6\u00b76H2O, 7.59 \u00d7 10 -2 M), and sodium carbonate (Na2CO3, 1 M) as precursors. The pH value of the mixture was maintained at approximately 8, and the Pt loading was controlled by varying the volume of the H2PtCl6\u00b76H2O solution added into the mixture. The as-synthesized precipitate was dried at 60 \u00b0C for 5 h, followed by calcination at 400 \u00b0C for 5 h and reduction in an atmosphere of 10% H2/He at 200 \u00b0C for 0.5 h."
+ }
+ ],
+ "Graphene-supported-atomic-Co-nanocrystalline-Co3O4-for-oxygen-evolution-reaction": [
+ {
+ "id": 311,
+ "sac_id": "Atom: Co\nSupport Material: Graphene\nSynthesis Method: Hybrid electrochemical high-temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Graphene\n\n",
+ "predicted": "Precursor synthesis: The graphene was prepared by the annealing of graphite powder (50 nm flakes) in a flow of Ar at 1200 \u00b0C for 3 h.\n\nSPACS synthesis: In a typical procedure, 40 mg of graphene and 80 mg of CoPc were added to 60 mL of DMF with continuous stirring for 12 h. Afterward, the mixture was stirred with 60 mL of deionized water for another 12 h, and the precipitate was collected by centrifugation and dried at room temperature in air.\n\nPyrolysis: The as-prepared sample was placed in a tube furnace and heated to 900 \u00b0C at a rate of 10 \u00b0C min^-1 and kept at this temperature for 3 h under an Ar atmosphere.",
+ "ground_truth": "Precursor synthesis: Graphene was prepared based on a modified electrochemical exfoliation method. 1-Butyl-3-methylimidzolium tetrachlorocobalt [(BMIm)2CoCl4, 99%] was used as the cobalt source.\nSAC synthesis: Atomic Co-Co3O4/G electrocatalyst was synthesized by electrodeposition conducted in a conventional three-electrode setup. Graphite papers were used as current collectors with a space of around 5 mm in the electrolytic cell. One graphite paper casted by graphene coating of around 1 mm thickness was used as the positive electrode. The electrodeposition process was conducted under CV charge/discharge from -1V to +4V at a scan rate of 2 mV s^-1 in 1-Butyl-3-methylimidzolium tetrachlorocobalt ((BMIm)2CoCl4) at 60\u00b0C. After that, the graphene coating charged was peeled off by hand and was further calcinated under Ar flow in a tubular furnace at 700\u00b0C for 1 h with a heating rate of 5\u00b0C min^-1, and then changed to air flow and annealed at 500\u00b0C for 1 h."
+ }
+ ],
+ "Amorphous-MoOX-Stabilized-single-platinum-atoms-with-ultrahigh-mass-activity-for-acidic-hydrogen-evolution": [
+ {
+ "id": 312,
+ "sac_id": "Atom: Pt\nSupport Material: Amorphous MoOX (\u0251-MoOx)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Amorphous MoOX (\u0251-MoOx)\n\n",
+ "predicted": "Precursor synthesis: The 1 wt% Pt/\u0251-MoOx catalyst was prepared by incipient wetness impregnation. Typically, 0.5 mL of H2PtCl6 aqueous solution (0.3 mg mL\u22121) was added dropwise into 0.5 g of \u0251-MoOx support. After stirring for 3 h, the mixture was dried at 80 \u00b0C overnight and calcined at 400 \u00b0C for 4 h.",
+ "ground_truth": "Precursor synthesis: Original (C2H10N2)[Mo3O10] was synthesized by a simple hydrothermal method (Figs. S1 and S2) [33], and H2PtCl6 was subsequently absorbed in (C2H10N2)[Mo3O10] by wet impregnation, and the surface functional groups on (C2H10N2)[Mo3O10], such as O2-, OH-, could help to electrostatically adsorb metal precursors and therefore are conducive to the subsequent reduction and anchoring of single Pt atoms [34], followed by stirring and calcination under Ar to obtain amorphous Pt-SA/\u0251-MoOx.\nSAC synthesis: The heating process led to the decomposition of the long chain of the 1D ordered structure (C2H10N2)[Mo3O10], (C2H10N2)2+ can be carbonized to form N-doped carbon, and the conversion of the oxygen moiety to NOX, CO2 and H2O, which were removed by Ar [35]. It is worthy noted that the low pyrolysis temperature of 370 \u00b0C adopted in our work prevented metal nanoclusters or nanoparticles formation, which is more practical as compared to traditional synthesis methods [24,36]."
+ },
+ {
+ "id": 313,
+ "sac_id": "Atom: Au\nSupport Material: Amorphous MoOX (\u0251-MoOx)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Au\nSupport Material: Amorphous MoOX (\u0251-MoOx)\n\n",
+ "predicted": "Precursor synthesis: The 10 nm thick amorphous MoOX films were deposited by electron beam evaporation of high purity molybdenum (Alfa Aesar, 99.99%) on SiO2/Si substrates with a natural oxide layer. Prior to deposition, the substrates were cleaned using an argon plasma for 30 min and then treated in air overnight before deposition.\n\nALD of Au: Au was deposited on top of the MoOX film using a BESTech Vacuum Systems Flow-Through ALD reactor. The precursor used was bis(\u03bc-methyl)bis(\u03bc-trifluoromethanesulfonato)gold(III) [Au(S2Me)2(TFMS)2], herein referred to as BMTMFSAu. The chamber pressure was set at 450 Torr, the flow rate of N2B was 2 sccm, and the purging time between each pulse of precursor and water was 60 sec. The temperature was held constant at 80 \u00b0C during deposition. The number of ALD cycles was varied from 1 to 7 to control the thickness of the Au film. Thicker films were also grown by electrodeposition of Au on top of the MoOX/substrate. The electrodeposition was carried out in a standard three-electrode cell with a potentiostat (Gamry Interface 1010E). Ultra-pure water (18.2 M\u03a9\u00b7cm) was used as the electrolyte. A piece of gold foil was used as the counter electrode and a graphite rod was used as the reference electrode. The MoOX/substrate was used as the working electrode. A potential of 1.0 V vs Ag/AgCl was applied to the system for 600 seconds. The thickness of the Au film was measured by X-ray reflectivity.",
+ "ground_truth": "Precursor synthesis: Original (C2H10N2)[Mo3O10] was synthesized by a simple hydrothermal method (Figs. S1 and S2) [33], and the Au precursor was subsequently absorbed in (C2H10N2)[Mo3O10] by wet impregnation, and the surface functional groups on (C2H10N2)[Mo3O10], such as O2-, OH-, could help to electrostatically adsorb metal precursors and therefore are conducive to the subsequent reduction and anchoring of single Au atoms [34], followed by stirring and calcination under Ar to obtain amorphous Au-SA/\u0251-MoOx.\nSAC synthesis: The heating process led to the decomposition of the long chain of the 1D ordered structure (C2H10N2)[Mo3O10], (C2H10N2)2+ can be carbonized to form N-doped carbon, and the conversion of the oxygen moiety to NOX, CO2 and H2O, which were removed by Ar [35]. It is worthy noted that the low pyrolysis temperature of 370 \u00b0C adopted in our work prevented metal nanoclusters or nanoparticles formation, which is more practical as compared to traditional synthesis methods [24,36]."
+ },
+ {
+ "id": 314,
+ "sac_id": "Atom: Pb\nSupport Material: Amorphous MoOX (\u0251-MoOx)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pb\nSupport Material: Amorphous MoOX (\u0251-MoOx)\n\n",
+ "predicted": "Precursor synthesis: The 10 wt% Pb/\u0251-MoOx catalyst was prepared by a wet impregnation method. Typically, 9.6 g of ammonium heptamolybdenate hydrate ((NH4)6Mo7O24\u00b74H2O, 35.8% Mo, Alfa Aesar) and 0.4 g of MoO3 (Alfa Aesar) were dissolved in 50 mL of deionized water to form a solution. Then, 0.8 g of PbO (Alfa Aesar) was added to the solution and stirred for 30 min. After evaporating the solution at 80 \u00b0C overnight, the resulting solid was dried at 100 \u00b0C overnight and then calcined at 500 \u00b0C for 3 h.",
+ "ground_truth": "Precursor synthesis: Original (C2H10N2)[Mo3O10] was synthesized by a simple hydrothermal method (Figs. S1 and S2) [33], and the Pb precursor was subsequently absorbed in (C2H10N2)[Mo3O10] by wet impregnation, and the surface functional groups on (C2H10N2)[Mo3O10], such as O2-, OH-, could help to electrostatically adsorb metal precursors and therefore are conducive to the subsequent reduction and anchoring of single Pb atoms [34], followed by stirring and calcination under Ar to obtain amorphous Pb-SA/\u0251-MoOx.\nSAC synthesis: The heating process led to the decomposition of the long chain of the 1D ordered structure (C2H10N2)[Mo3O10], (C2H10N2)2+ can be carbonized to form N-doped carbon, and the conversion of the oxygen moiety to NOX, CO2 and H2O, which were removed by Ar [35]. It is worthy noted that the low pyrolysis temperature of 370 \u00b0C adopted in our work prevented metal nanoclusters or nanoparticles formation, which is more practical as compared to traditional synthesis methods [24,36]."
+ },
+ {
+ "id": 315,
+ "sac_id": "Atom: Ir\nSupport Material: Amorphous MoOX (\u0251-MoOx)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ir\nSupport Material: Amorphous MoOX (\u0251-MoOx)\n\n",
+ "predicted": "Precursor synthesis: The 10 nm thick amorphous MoOX films were deposited by reactive sputtering of a Mo target in an atmosphere of Ar/O2.\n\nSAC Synthesis: The samples were then treated with a 5 min exposure to a 365 nm UV light source (UVP, Inc.) at room temperature. The power density of the UV light was ~4 mW cm^-2.",
+ "ground_truth": "Precursor synthesis: Original (C2H10N2)[Mo3O10] was synthesized by a simple hydrothermal method (Figs. S1 and S2) [33], and the Ir precursor was subsequently absorbed in (C2H10N2)[Mo3O10] by wet impregnation, and the surface functional groups on (C2H10N2)[Mo3O10], such as O2-, OH-, could help to electrostatically adsorb metal precursors and therefore are conducive to the subsequent reduction and anchoring of single Ir atoms [34], followed by stirring and calcination under Ar to obtain amorphous Ir-SA/\u0251-MoOx.\nSAC synthesis: The heating process led to the decomposition of the long chain of the 1D ordered structure (C2H10N2)[Mo3O10], (C2H10N2)2+ can be carbonized to form N-doped carbon, and the conversion of the oxygen moiety to NOX, CO2 and H2O, which were removed by Ar [35]. It is worthy noted that the low pyrolysis temperature of 370 \u00b0C adopted in our work prevented metal nanoclusters or nanoparticles formation, which is more practical as compared to traditional synthesis methods [24,36]."
+ }
+ ],
+ "Effect-of-the-degree-of-dispersion-of-Pt-over-MgAl2O4-on-the-catalytic-hydrogenation-of-benzaldehyde": [
+ {
+ "id": 316,
+ "sac_id": "Atom: Pt\nSupport Material: MgAl2O4\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: MgAl2O4\n\n",
+ "predicted": "Precursor synthesis: The Pt(acac)2 precursor (Platinum(II) acetylacetonate, Alfa Aesar, 97%) was used for the deposition of Pt nanoparticles.\n\nSynthesis: The Pt/MgAl2O4 catalysts were prepared by wet impregnation method. Typically, an amount of Pt(acac)2 was dissolved in acetone to form a clear solution and then the support (MgAl2O4) was added with stirring overnight at room temperature. After drying at 50 \u00b0C overnight, the solvent was removed by rotary evaporation at 60 \u00b0C. Finally, the dried powder was calcined at 800 \u00b0C for 1 h with a heating rate of 5 \u00b0C min -1 under air condition. For comparison, Pd/MgAl2O4 and Rh/MgAl2O4 were also prepared by the same synthetic procedure.",
+ "ground_truth": "Precursor synthesis: MgAl2O4 spinel support material was prepared by hydrolysis of aluminum isopropoxide with magnesium nitrate hexahydrate in ethanol, followed by calcination of the precipitates in ambient air at 800 \u00b0C for 5 h with a heating rate of 2 \u00b0C/min.\nSAC synthesis: MgAl2O4-supported Pt catalysts were prepared by soaking 10 g of the MgAl2O4 support powders in 200 mL of an aqueous solution of chloroplatinic acid hexahydrate (Pt content >37.5%, Tianjin Fengchuan Chemical Reagent Technologies Co., Ltd.) for 10 h under magnetic stirring. Appropriate amounts of Pt were used to give nominal loadings of 0.2 wt%, 0.5 wt% and 1 wt%. The powders were separated by filtration and washed three times with deionized water. The impregnated samples were dried at 60 \u00b0C overnight, calcined at 500 \u00b0C for 5 h and finally reduced at 300 \u00b0C in H2 for 2 h. The catalysts are denoted 0.2Pt/MgAl2O4, 0.5Pt/MgAl2O4 and 1Pt/MgAl2O4, and the actual Pt loadings were determined by ICP-AES to be 0.19 wt%, 0.47 wt% and 0.92 wt%, respectively."
+ }
+ ],
+ "Co-synthesis-of-atomic-Fe-and-few-layer-graphene-towards-superior-ORR-electrocatalyst": [
+ {
+ "id": 317,
+ "sac_id": "Atom: Fe\nSupport Material: Few-layer graphene\nSynthesis Method: Electrochemical\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Few-layer graphene\n\n",
+ "predicted": "Precursor synthesis: Iron pentacarbonyl (Fe(CO)5) was used as the precursor.\nSynthesis: In a typical experiment, few-layer graphene was prepared on Cu foil by chemical vapor deposition. The Cu foil with a size of 1 \u00d7 2 cm^2 was cleaned in acetone and ethanol for several times and then dried in an Ar flow at 600 \u00b0C for 1 h. A piece of few-layer graphene grown on Cu foil was transferred to a quartz boat and placed in the center of a tube furnace. After that, 5 mg Fe(CO)5 powder was put on both sides of the few-layer graphene. Finally, the tube furnace was heated to 800 \u00b0C under an Ar pressure of 3 mbar for 10 min, then cooled down to room temperature.",
+ "ground_truth": "Precursor synthesis: The electrolyte used is 1-butyl-3-methylimidazolium tetrachloroferrate ([BMIM]FeCl4). Melamine is used as a nitrogen source for the annealing process.\nSAC synthesis: Few-layer graphene flakes were synthesized through electrochemically charging two graphite foil electrodes in the electrolyte of an ionic liquid of 1-butyl-3-methylimidazolium tetrachloroferrate ([BMIM]FeCl4), as illustrated in Fig. 1. The positive graphite electrode was gradually expanded with charging under the potential of +4 V while the negative graphite electrode had little change. After charging for 20 minutes, the positive graphite was expanded significantly (Fig. 2a). When cyclic voltammogram (CV) charge/discharge over a potential window from -2 V to +2 V was conducted, both two graphite electrodes expanded at the same time. After charging/discharging, the expanded graphite was repeatedly sonicated and washed with hot HCl acid and deionized water (Fe/G) to completely remove any iron oxide (hydroxide) inorganic particles. The graphene inks could be prepared in 20-kilogram scale in an iteration of the process (Fig. S2a), which indicated the synthesis method is scalable. To further identify the coordination of Fe element and explore the electrocatalytic performance of the atomic material synthesized, Fe/G flake sample was annealed at 800 \u00b0C in Ar with the nitrogen source of melamine (the product sample was named as N-Fe/G)."
+ },
+ {
+ "id": 318,
+ "sac_id": "Atom: Fe\nSupport Material: Few-layer graphene\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Few-layer graphene\n\n",
+ "predicted": "Precursor synthesis: Iron pentacarbonyl (Fe(CO)5) was used as the precursor.\nSynthesis: In a typical experiment, few-layer graphene was prepared on Cu foil by chemical vapor deposition. The Cu foil with a size of 1 \u00d7 2 cm^2 was cleaned in acetone and ethanol for several times and then dried in an Ar flow at 600 \u00b0C for 1 h. A piece of few-layer graphene grown on Cu foil was transferred to a quartz boat and placed in the center of a tube furnace. After that, 5 mg Fe(CO)5 powder was put on both sides of the few-layer graphene. Finally, the tube furnace was heated to 800 \u00b0C under an Ar pressure of 3 mbar for 10 min, then cooled down to room temperature.",
+ "ground_truth": "Precursor synthesis: The electrolyte used is 1-butyl-3-methylimidazolium tetrachloroferrate ([BMIM]FeCl4). Melamine is used as a nitrogen source for the annealing process.\nSAC synthesis: Few-layer graphene flakes were synthesized through electrochemically charging two graphite foil electrodes in the electrolyte of an ionic liquid of 1-butyl-3-methylimidazolium tetrachloroferrate ([BMIM]FeCl4), as illustrated in Fig. 1. The positive graphite electrode was gradually expanded with charging under the potential of +4 V while the negative graphite electrode had little change. After charging for 20 minutes, the positive graphite was expanded significantly (Fig. 2a). When cyclic voltammogram (CV) charge/discharge over a potential window from -2 V to +2 V was conducted, both two graphite electrodes expanded at the same time. After charging/discharging, the expanded graphite was repeatedly sonicated and washed with hot HCl acid and deionized water (Fe/G) to completely remove any iron oxide (hydroxide) inorganic particles. The graphene inks could be prepared in 20-kilogram scale in an iteration of the process (Fig. S2a), which indicated the synthesis method is scalable. To further identify the coordination of Fe element and explore the electrocatalytic performance of the atomic material synthesized, Fe/G flake sample was annealed at 800 \u00b0C in Ar with the nitrogen source of melamine (the product sample was named as N-Fe/G)."
+ }
+ ],
+ "Single-Pd-atoms-on-TiO2-dominate-photocatalytic-NOx-removal": [
+ {
+ "id": 319,
+ "sac_id": "Atom: Pd\nSupport Material: TiO2\nSynthesis Method: Photochemical\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: TiO2\n\n",
+ "predicted": "Precursor synthesis: The Pd/TiO2 catalysts were prepared by the method reported in our previous work. [1] Typically, 0.5 g of commercial TiO2 (US Research Nanomaterials Inc., BET value of 34 m2 g-1) was dispersed into 50 mL of aqueous solution containing 0.08 mol L-1 H2PdCl4 under stirring for 30 min. Then, the suspension was kept at 60 \u00b0C with continuous stirring until all water was evaporated. The solid sample was calcined in air at 400 \u00b0C for 4 h to obtain the Pd/TiO2 catalyst. The Pd content in the catalyst was determined to be 0.7 wt% based on ICP-AES analysis.\n\nCatalytic activity test: The catalytic activities of the catalysts were evaluated by the CO oxidation reaction. In a typical experiment, 0.05 g of catalyst powder was loaded into a quartz reactor with an inner diameter of 6 mm and a length of 250 mm. Before the CO oxidation reaction, the catalyst was reduced in a flow of 10 vol% H2/He at 300 \u00b0C for 1 h. After reduction, the catalyst was purged with helium for 30 min to remove the residual gas. Then, a mixture of CO (5%) and O2 (95%) with a flow rate of 30 mL min-1 was passed through the reactor. The temperature of the reactor was controlled by a programmable oven. The effluent from the reactor was analyzed by an online gas chromatograph (Shimadzu GC-2010 Plus) equipped with a TCD detector and a molecular sieve 5A column. The concentration of CO in the feed and the outlet streams was calculated based on the peak areas measured by the gas chromatography.",
+ "ground_truth": "Precursor synthesis: The Pd-content was controlled by varying the palladium acetylacetonate (Aldrich, purity 99%) concentration (0 -1.2 mM) in a 1:1 volumetric mixture of 2-ethylhexanoic acid (Aldrich, purity > 99%): acetonitrile (Aldrich, purity > 99.5%) containing 159 mM of titanium isopropoxide (Aldrich, purity > 97%).\nSAC synthesis: Through the FSP capillary nozzle, 3 mL/min of this precursor solution were fed, dispersed to a fine spray by 5 L/min O2 (Pan Gas, purity > 99%) through the adjacent burner ring and ignited/sustained by a ring-shaped premixed methane/O2 support flame (CH4: 1.5 L/min, O2: 3.2 L/min) [24]. So Pd/TiO2 particles are produced and collected on a glass/fiber filter (Whatman GF, 24.7 cm effective diameter) located 77 cm above the FSP nozzle by a gas pump (Busch Mink MM1202 AV). For photocatalysis tests, such particles were collected for 7.5 min resulting in 170 \u00b1 19 mg of homogeneous particle layer on the filter. To remove any products of incomplete combustion from the catalyst surface (Fig. S1), the produced powders were annealed in air at 600 \u00b0C for 2 h before any photocatalytic test and particle characterizations."
+ },
+ {
+ "id": 320,
+ "sac_id": "Atom: Pd\nSupport Material: TiO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: TiO2\n\n",
+ "predicted": "Precursor synthesis: The Pd/TiO2 catalysts were prepared by the method reported in our previous work. [1] Typically, 0.5 g of commercial TiO2 (US Research Nanomaterials Inc., BET value of 34 m2 g-1) was dispersed into 50 mL of aqueous solution containing 0.06 mmol of Pd(NO3)2\u00b76H2O (Aladdin, 40% Pd basis). After stirring for 1 h at room temperature, the mixture was then freeze-dried overnight and calcined at 400 \u00b0C for 4 h in air.\n\nCatalytic evaluation: The catalytic performances of the as-prepared samples were evaluated by the CO oxidation reaction. In a typical experiment, 0.01 g of catalyst was mixed with 0.08 g of Al2O3 (US Research Nanomaterials Inc., BET value of 27 m2 g-1), 0.01 g of water, and 0.01 g of CO (Air Products, 99.99%, equivalent to 0.08 g of CO2), and the total sample weight was controlled at 0.1 g. The mixture was ground in a ball mill for 10 min and then put into a quartz tube reactor. A flow rate of 30 mL min-1 helium (99.999%) was used to carry the reactants through the reactor. The powder sample was pre-treated at 300 \u00b0C for 1 h and then the CO oxidation reaction was carried out. The conversion of CO was measured by an on-line gas chromatograph (Agilent 7890B, FID detector). The inlet temperature of GC was set at 50 \u00b0C, and the column temperature was kept at 70 \u00b0C. The CO concentration in the feed stream was 0.5 vol.%. The CO conversion was calculated based on the peak area ratio of CO and CO2.",
+ "ground_truth": "Precursor synthesis: The Pd-content was controlled by varying the palladium acetylacetonate (Aldrich, purity 99%) concentration (0 -1.2 mM) in a 1:1 volumetric mixture of 2-ethylhexanoic acid (Aldrich, purity > 99%): acetonitrile (Aldrich, purity > 99.5%) containing 159 mM of titanium isopropoxide (Aldrich, purity > 97%).\nSAC synthesis: Through the FSP capillary nozzle, 3 mL/min of this precursor solution were fed, dispersed to a fine spray by 5 L/min O2 (Pan Gas, purity > 99%) through the adjacent burner ring and ignited/sustained by a ring-shaped premixed methane/O2 support flame (CH4: 1.5 L/min, O2: 3.2 L/min) [24]. So Pd/TiO2 particles are produced and collected on a glass/fiber filter (Whatman GF, 24.7 cm effective diameter) located 77 cm above the FSP nozzle by a gas pump (Busch Mink MM1202 AV). For photocatalysis tests, such particles were collected for 7.5 min resulting in 170 \u00b1 19 mg of homogeneous particle layer on the filter. To remove any products of incomplete combustion from the catalyst surface (Fig. S1), the produced powders were annealed in air at 600 \u00b0C for 2 h before any photocatalytic test and particle characterizations."
+ }
+ ],
+ "Probing-the-catalytic-behavior-of-ZnO-nanowire-supported-Pd1-single-atom-catalyst-for-selected-reactions": [
+ {
+ "id": 321,
+ "sac_id": "Atom: Pd\nSupport Material: ZnO nanowires (NWs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: ZnO nanowires (NWs)\n\n",
+ "predicted": "Precursor synthesis: A 20 mL solution of Pd(acac)\u2082 was prepared by dissolving 1.58 g of palladium(II) acetylacetonate (Pd(acac)\u2082, 99.9%, Sigma-Aldrich) in 40 mL of oleylamine (OLA, 70 wt.%, TCI). A 20 mL solution of Zn(OA)\u2082 was prepared by dissolving 3.6 g of zinc(II) oxide nanoparticles with an average diameter of 10 nm and covered with 40 equivalents of oleic acid (OA, 90%, Sigma-Aldrich) in 40 mL of OLA.\nSynthesis: The synthesis procedure is the same as for Pd/ZnO NW/Pt, except that the final product was annealed at 300 \u00b0C under Ar flow for 2 h to obtain Pd/ZnO NW/Pd.",
+ "ground_truth": "Precursor synthesis: The ZnO NWs were synthesized by a one-step, non-catalytic, and template-free physical vapor deposition process. Mixed ZnO and carbon powders, in a 1:1 ZnO/C weight ratio, were heated to about 1100 \u00b0C in a high temperature tube furnace. The ZnO NWs were formed inside the tube furnace, transported by a carrier gas, out of the tube, and collected.\nSAC synthesis: The ZnO NWs supported Pd1 SACs were synthesized by a modified adsorption method. Typically, the preformed ZnO NWs were dispersed into deionized water under rigorous stirring and a calculated amount of aqueous solution (Pd(NO3)2) precursor was then added dropwise to the ZnO solution at room temperature. After continuously stirring and aging for 2 h, the suspension was filtered and washed with deionized water for several times to remove the salt residuals. The resultant solid was dried at 60 \u00b0C for 12 h without any treatment hereafter. The nominal loading of Pd was kept at 0.05 wt%. We used such low level of Pd loading in order to make sure that all the Pd atoms adsorbed onto the ZnO NWs and that no Pd clusters or NPs formed during the synthesis processes."
+ }
+ ],
+ "Confining-single-atom-Pd-on-g-C3N4-with-carbon-vacancies-towards-enhanced-photocatalytic-NO-conversion": [
+ {
+ "id": 322,
+ "sac_id": "Atom: Pd\nSupport Material: g-C3N4 modified with carbon vacancies (Cv-CN)\nSynthesis Method: Photochemical\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: g-C3N4 modified with carbon vacancies (Cv-CN)\n\n",
+ "predicted": "Precursor synthesis: g-C3N4 was prepared by heating 10.0 g dicyandiamide in a muffle furnace at 550 \u00b0C for 4 h with a ramp rate of 2 \u00b0C min-1 under air atmosphere. Cv-CN was obtained by mixing 0.6 g g-C3N4, 0.18 g NaCl, and 0.02 g KCl as the salt flux, then passing the mixture through a nozzle (inner diameter = 0.7 mm) into a Marble funnel (height = 90 cm) under an applied voltage of 15 kV. The aerosol was collected on a piece of aluminum foil placed at the bottom of the funnel.\n\nPDMS synthesis: To a three-necked flask equipped with a condenser, 4.0 g of 4,4\u2032-thio-diaminodiphenyl sulfide (TDDS), 1.6 g of 4,4\u2032-dihydroxybenzophenone (DHBP), and 1.0 g of hexamethylene diisocyanate (HDI) were added. The reaction was carried out at 120 \u00b0C for 12 h under nitrogen gas. After cooling to room temperature, the product was dissolved in dichloromethane and precipitated by washing with water. Finally, the PDMS was collected and dried under vacuum.\n\nSynthesis of Pd/Pd@Pd-S/Pd-N/Pd clusters on Cv-CN: A certain amount of PDMS was dissolved in 20 mL chloroform to form a homogeneous solution. Then, 1.0 g Cv-CN was added to the above solution and stirred for 24 h at room temperature. The powder was collected by centrifugation and dried overnight at 60 \u00b0C. Next, the powder was ultrasonicated in a mixed solvent of THF and water (volume ratio = 1:1) for 3 h. Subsequently, the suspension was mixed with aqueous NaBH4 solution (1.0 M, 10 mL) and stirred for 12 h at room temperature. After collection and drying, the powder was subjected to pyrolysis at 600 \u00b0C for 2 h under a N2 flow of 50 sccm. The resulting sample is denoted as Pd/Pd@Pd-S/Pd-N/CN.",
+ "ground_truth": "Precursor synthesis: 20 g of urea was put into an alumina crucible and transferred to a muffle furnace. Then, the crucible was heated with 5 \u00b0C/min heating rate and finally held at 600, 550 or 500 \u00b0C for 2 h in the air. The resultant powder was washed with deionized water to remove the surface salts and followed by drying at 50 \u00b0C in a vacuum freeze dryer oven overnight. The final product was denoted as Cv-CN, Cv-CN-1 and Cv-CN-2, which represented the samples heated at 600, 550 and 500 \u00b0C, respectively.\nSAC synthesis: 0.5 mL aqueous solution of PdCl2 (1 mg/mL) and NaCl (5 mg/mL) were dissolved in 50 mL deionized water. Then, 0.1 g of g-C3N4 modified with carbon vacancies was added into the above solution. The mixture was kept stirring in an oil bath at 80 \u00b0C for 8 h. After filtration and washing, the precipitate was dispersed in 50 mL deionized water and irradiated under the light of 420 nm wavelength by using a cut-off optical filter for 1 h to proceed the reduction of Pd 2+. Finally, the resultant precipitate was washed and then dried in a vacuum freeze dryer at 50 \u00b0C overnight. The final product was denoted as Pd-Cv-CN. The Pd-CN was prepared by the same routine by using CN as a support."
+ }
+ ],
+ "Direct-oxidation-of-methane-to-oxygenates-on-supported-single-Cu-atom-catalyst": [
+ {
+ "id": 323,
+ "sac_id": "Atom: Cu\nSupport Material: ZSM-5\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: ZSM-5\n\n",
+ "predicted": "Precursor synthesis: Copper nitrate hydrate (Cu(NO3)2\u00b73H2O, 98%, Sigma-Aldrich) was used as the precursor.\nZSM-5 synthesis: Commercial silica gel (Cab-O-Sil EH-5, Cab-O-Sil M-5P, Cab-O-Sil fumed silica or Aerosil 200, Cab-O-Sil M-5, Cabot Corporation, Chengdu Yansui Special Effect Material Co., Ltd.) was used as the source of Si. The samples were prepared by a typical hydrothermal method at 100 \u00b0C for 24 hours with the molar composition of 1.0 SiO2 : 0.26 Na2O : 0.22 Al2O3 : 0.075 K2O : 12.0 H2O : x Cu(NO3)2 \u00b7 3H2O, where x is equal to 0, 0.001, 0.002, 0.003, and 0.004, respectively. After crystallization, the samples were calcined in air at 550 \u00b0C for 6 hours.\nMetal impregnation: CuO was deposited on ZSM-5 by ion exchange using aqueous solutions of copper nitrate (Cu(NO3)2). The samples were calcined in air at 550 \u00b0C for 6 hours after ion exchange. The mass ratios of CuO to ZSM-5 were controlled by varying the concentration of Cu(NO3)2 solution.",
+ "ground_truth": "Precursor synthesis: The Cu precursor used was CuCl2 \u00b7 2H2O (Sinopharm Chemical Reagent Co., China).\nSAC synthesis: The recently developed modified adsorption methods were used to prepare the supported single atom catalyst via finely tuning the adsorption parameters in the aqueous solution [29 -34]. The same synthesis strategy was used to prepare the H-ZSM-5 supported single Cu atom catalysts. Typically, H-ZSM-5 (SiO2/Al2O3 = 25, the BET surface area of ca. 310 m2/g; Tianjin Yuanli Chemical Co.) was dispersed in deionized water. The pH of Cu precursor (CuCl2 \u00b7 2H2O; Sinopharm Chemical Reagent Co., China) was finely tuned from 3.5 to 4.0. The diluted Cu precursors were pumped into H-ZSM-5 suspension at a speed of ~ 0.5 mL/min under stirring (the concentration of Cu species was controlled to be less than 0.8 mmol/L). After aging for 2 h at room temperature, the sample was centrifuged and washed, then dried at 60 \u00b0C in an oven overnight and calcined at 300 \u00b0C for 4 h in static air. To exclude the possible influence of chloride ions, the catalysts were thoroughly washed by deionized water until no Cl- ions could be detected by saturated AgNO3 solution."
+ }
+ ],
+ "Highly-active-Au1-Co3O4-single-atom-catalyst-for-CO-oxidation-at-room-temperature": [
+ {
+ "id": 324,
+ "sac_id": "Atom: Au\nSupport Material: Co3O4\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Au\nSupport Material: Co3O4\n\n",
+ "predicted": "Precursor synthesis: 0.278 g of Co(NO3)2\u00b76H2O and 0.1 g of glucose were dissolved in 15 mL of deionized water, stirred for 1 h and aged at 80 \u00b0C to obtain a homogeneous solution. Subsequently, the obtained solution was transferred into a Teflon-lined autoclave with a volume of 200 mL and heated at 120 \u00b0C for 6 h. After cooling naturally, the product was separated by centrifugation, washed three times with deionized water and dried at 60 \u00b0C overnight. The as-obtained powder was calcined at 400 \u00b0C for 2 h with a ramping rate of 2 \u00b0C/min to afford Co3O4 nanorods.\n\nS synthesis: Au nanoparticles were deposited on Co3O4 nanorods by using a conventional wet impregnation method. Specifically, 0.05 g of Co3O4 nanorods was dispersed in 10 mL of deionized water under ultrasonication for 1 h. Then, 0.5 mL of HAuCl4 (1 mg/mL) solution was added dropwise into the suspension under vigorous ultrasonication for 10 min. After stirring for another 2 h, the products were collected by centrifugation, washed three times with deionized water and dried at 60 \u00b0C overnight. Finally, the as-prepared samples were annealed at 200 \u00b0C for 2 h to obtain Au/Co3O4 nanorods.",
+ "ground_truth": "Precursor synthesis: Co3O4 nanocrystallites were synthesized by co-precipitation of Co(NO3)2 and Na2CO3 at room temperature and then calcined at 400 \u00b0C for 5 h.\nSAC synthesis: The isolated Au atoms at 0.05 wt% Au loading were dispersed onto the Co3O4 by adsorption and calcined at 400 \u00b0C for 5 h (denoted as Au1/Co3O4)."
+ }
+ ],
+ "Platinum-single-atoms-anchored-covalent-triazine-framework-for-efficient-photoreduction-of-CO2-to-CH4": [
+ {
+ "id": 325,
+ "sac_id": "Atom: Pt\nSupport Material: CTF-1\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: CTF-1\n\n",
+ "predicted": "Precursor synthesis: H2PtCl6 (99.99%) was used as the precursor of Pt nanoparticles.\n\nSynthesis: The Pt/CTF-1 sample was prepared by a wet impregnation method. Typically, 50 mg of CTF-1 was dispersed in deionized water and stirred for 3 h. Then, 25 mL of deionized water and 0.75 mL of H2PtCl6 aqueous solution (2 mg mL -1 ) were added to the suspension and stirred for another 3 h. Subsequently, the mixed solution was dried by freeze-drying. After that, the dried powder was annealed at 400 \u00b0C for 2 h under Ar flow (100 mL min -1 ) with a heating ramp rate of 5 \u00b0C min -1. Finally, the obtained powder was reduced at 200 \u00b0C for 2 h under a 5% H2/Ar mixture flow (100 mL min -1 ) to obtain the final product.",
+ "ground_truth": "Precursor synthesis: g -C3N4 was prepared according to previous literature [62]. In brief, melamine was calcined at 550 \u00b7 C for 4 h. After natural cooling, the as-obtained agglomerates were ground into powders, and the g -C3N4 powders were obtained.\n\nSAC synthesis: The Pt confined into g -C3N4 (Pt/C3N4-EG) was prepared through the similar protocol for Pt-SA/CTF-1, in which the CTF-1 was replaced by g -C3N4."
+ },
+ {
+ "id": 326,
+ "sac_id": "Atom: Pt\nSupport Material: g-C3N4\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: g-C3N4\n\n",
+ "predicted": "Precursor synthesis: The g-C3N4 was prepared by heating urea at 550 \u00b0C (ramp rate, 5 \u00b0C min-1) for 2 h in a closed alumina crucible placed inside a muffle furnace.\nSupport Material Synthesis: The g-C3N4 was pretreated by stirring in 2 mol L-1 HCl for 24 h and collected by filtration and washing with deionized water until the pH of the filtrate reached \u223c7. It was then dried at 60 \u00b0C for 8 h under vacuum.\nMetals Loading: Typically, 20 mg of pretreated g-C3N4 was dispersed in 20 mL of ultrapure water with continuous stirring for 30 min. A certain amount of H2PtCl6 solution (1 mmol L-1) was added dropwise to the g-C3N4 suspension while stirring continuously. After stirring for another 2 h, the Pt/g-C3N4 was collected by centrifugation and washed with ultrapure water and ethanol three times, respectively, and dried at 60 \u00b0C overnight in a vacuum oven.",
+ "ground_truth": "Precursor synthesis: g -C3N4 was prepared according to previous literature [62]. In brief, melamine was calcined at 550 \u00b7 C for 4 h. After natural cooling, the as-obtained agglomerates were ground into powders, and the g -C3N4 powders were obtained.\n\nSAC synthesis: The Pt confined into g -C3N4 (Pt/C3N4-EG) was prepared through the similar protocol for Pt-SA/CTF-1, in which the CTF-1 was replaced by g -C3N4."
+ }
+ ],
+ "Underpotential-deposition-synthesis-and-in-line-electrochemical-analysis-of-single-atom-copper-electrocatalysts": [
+ {
+ "id": 327,
+ "sac_id": "Atom: Cu\nSupport Material: Sulfur and nitrogen co-doped graphite foam (SNGF)\nSynthesis Method: Electrochemical\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: Sulfur and nitrogen co-doped graphite foam (SNGF)\n\n",
+ "predicted": "Precursor synthesis: The electrolyte was prepared by mixing 1.2 m KOH, 0.5 M dopamine hydrochloride, and 0.05 M sulfuric acid. 1.2 m KOH was added dropwise to the mixture of dopamine hydrochloride and sulfuric acid solution under stirring at 60 \u00b0C until complete dissolution. Dopamine self-polymerization occurred spontaneously, forming a viscous gel-like substance after about 24 h. The resulting gel was freeze-dried for 72 h to remove water, leaving a carbon-rich aerogel. This aerogel was then carbonized at 800 \u00b0C (heating rate of 5 \u00b0C min -1 ) for 2 h in an argon atmosphere. The obtained product was washed with a 0.5 m H2SO4 solution until it reached a neutral pH value. Afterward, the product underwent a second heat treatment at 900 \u00b0C for 1 h under argon atmosphere. SNGF was prepared by the same procedure except that the dopamine amount was 3 times higher than that used for the PANI/S composite.\n\nElectrode synthesis: First, 20 mg of sulfur was dispersed in 20 ml of isopropanol under ultrasonication for 1 h to form solution A. Then, 20 ml of isopropanol containing 200 mg of CuCl2\u00b72H2O was mixed with solution A under ultrasonication for 1 h to form a uniformly mixed solution B. Finally, solution B was dried by rotary evaporation at 50 \u00b0C to obtain powder C. Subsequently, powder C was transferred into a tube furnace and heated to 280 \u00b0C for 2 h at a ramp rate of 2 \u00b0C min -1 in an N2 atmosphere. After cooling down to room temperature, the as-obtained products were collected.",
+ "ground_truth": "Precursor synthesis: Graphite foil pieces were oxidized by a mixed acids of HNO3 (5 mL) and H2SO4 (15 mL) for 12 h. After dialysis, the oxidized graphite foams were immersed into different concentrations (0.4, 0.2, 0.1, and 0.05 M) of thiourea aqueous solution for a hydrothermal reaction at 180 \u00b0C for 12 h to obtain SNGF-X (X is denoted as the concentration of thiourea). The mass of SNGF was measured to be 2.2 mg cm^-2 by a balance (Mettler Toledo N315). Similarly, nitrogen doped graphite foam (NGF) and sulfur doped graphite foam (SGF) were prepared as the counterparts by substituting thiourea with urea and Na2S, respectively.\nSAC synthesis: Cu was deposited on the surface of SNGF-X with an underpotential deposition (UPD) method in an aqueous solution of 5 mM CuSO4 and 0.1 M H2SO4 in an H-type electrolytic cell with a Nafion membrane. A three-electrode system was connected to CHI 760D electrochemical workstation with SNGF, Pt mesh, and Ag/AgCl electrodes as working electrode, counter electrode, and reference electrode, respectively. Cyclic voltammetry (CV) tests in a potential range of -0.3 to 0.6 V (vs. Ag/AgCl) at a scan rate of 0.1 mV s^-1 were conducted to confirm the UPD behavior of Cu. UPD of Cu was conducted under potentiostatic conditions with different applied potentials (0.13 - 0.29 V) for 60 s at room temperature. The obtained Cu/SNGF was immersed in ultrapure water to remove Cu^2+ residues. Cu stripping was performed right after the deposition of Cu single atoms in the same solution with a linear sweeping voltammetry (LSV) method. The potential was set from the deposition potential to 0.45 V at 0.1 mV s^-1. As the counterparts, other substrates (SNGF-0.2, SNGF-0.1, SNGF-0.05) or other CuSO4 solutions (2.5 mM, 10 mM, 20 mM) were also tested with the same method."
+ }
+ ],
+ "MIL-53-(Al)-derived-single-atom-Rh-catalyst-for-the-selective-hydrogenation-of-m-chloronitrobenzene-into-m-chloroaniline": [
+ {
+ "id": 328,
+ "sac_id": "Atom: Rh\nSupport Material: \u03b3-Al2O3\nSynthesis Method: Solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Rh\nSupport Material: \u03b3-Al2O3\n\n",
+ "predicted": "Precursor synthesis: The gel was prepared by dropwise addition of a rhodium precursor (Rh(NO3)3\u00b7xH2O, Sigma Aldrich, 99.9%) solution to aqueous Al(NO3)3 solution under stirring. Ageing of the resulting gel was performed at room temperature.\nFPISL Synthesis: The gel was dried in air at 100 \u00b0C overnight and calcined in static air at 500 \u00b0C for 4 h (heating rate = 2 \u00b0C min-1).",
+ "ground_truth": "Precursor synthesis: In a typical procedure, Al(NO3)3\u00b79H2O (5.2 g, 13.9 mmol, Tianjin Damao Chemical Reagent Factory, 99%), terephthalic acid (H2BDC, 1.152 g, 6.9 mmol, J&K, 99%) and RhCl3\u00b73H2O (8 mg, 0.03 mmol, Tianjin Sailboat Chemical Reagent Technology Co., Ltd., 99%) were dissolved in H2O (20 mL) under ultrasonication for 0.5 h. The mixture was then added into a 50 mL Teflon-lined stainless steel autoclave, heated to 493 K and kept for 72 h. A white powder of Rh@MIL-53 (Al) was collected by filtration, washed three times with H2O and ethanol, and dried at 333 K overnight.\nSAC synthesis: The dried Rh@MIL-53 (Al) was first calcined at 873 K for 5 h with a heating rate of 5 K\u00b7min -1 in an Ar flow of 30 mL\u00b7min -1 and then reduced at 573 K for 3 h with a heating rate of 2 K\u00b7min -1 in a 10 vol% H2/Ar flow of 30 mL\u00b7min -1. After being cooled to room temperature, a black powder was obtained and denoted as Rh@Al2O3@C material. The content of carbon in the Rh@Al2O3@C is determined to be 36.5 wt% On the basis of thermogravimetric (TG) analysis results (Fig. S1, see electronic supporting information, the same below). The Rh loading in the Rh@Al2O3@C was 0.1 wt%, as determined by inductively coupled plasma optical emission spectroscopy (ICP-OES)."
+ },
+ {
+ "id": 329,
+ "sac_id": "Atom: Rh\nSupport Material: C\nSynthesis Method: Solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Rh\nSupport Material: C\n\n",
+ "predicted": "Precursor synthesis: 5,10,15,20-Tetra(4-pyridyl)21H,23H-porphine (TPP) was used as a precursor. A specific support material, C, was used as the support.\nTPP synthesis: The porphyrin molecule was prepared following a reported procedure with slight modifications. Pyrrole (1.2 mmol), hexane-free 5,10,15,20-tetrakis(4-pyridyl)porphyrin (0.2 mmol), and anhydrous N,N-dimethylformamide (DMF; 10 mL) were mixed in a round bottom flask and heated at 160 \u00b0C for 7 days under nitrogen protection. After cooling to room temperature, the resulting mixture was added dropwise into 800 mL of acetone. The obtained crude product was purified by column chromatography using silica gel and dichloromethane/hexane (v/v; 1:1) as the eluent to give a red solid product (0.19 g; yield = 40% based on the tetrapyridyl porphyrin precursor).\n\nMetal incorporation: An equimolar amount of metal salt (e.g., RhCl3) was dissolved in DMF, and the corresponding TPP ligand was then added. The reaction mixture was stirred at 60 \u00b0C overnight to form the corresponding RPPM complex. The solvent was removed under reduced pressure, and the resulting residue was washed with methanol to remove any unreacted porphyrins or metal salts.\n\nSupport material immobilization: The support material (C) was activated by heating at 600 \u00b0C under an Ar flow for 4 h prior to use. A suspension of RPPM in methanol was mixed with a predetermined amount of the activated support material (C) and stirred for 12 h at room temperature. The mixture was then dried under vacuum at 60 \u00b0C for 12 h to obtain the RPPM@C_n samples, where 'n' denotes the molar ratio of RPPM to C.\n\nCatalytic testing: The catalytic activity of the prepared catalysts was evaluated in the hydrogenation of 4-nitrobenzaldehyde (C6H5NO2CH3) to form aniline (C6H5NH2CH3). Typically, 0.025 mmol of C6H5NO2CH3 was dissolved in 1.5 mL of MeOH containing 0.025 mmol of RPPM@C_n in a 5 mL glass vial. The vial was flushed with H2 for 15 min before being heated at 60 \u00b0C with constant stirring. After 24 h, the reaction was quenched by opening the vial to air. The reaction mixture was analyzed by thin layer chromatography (TLC) using a mobile phase consisting of petroleum ether: diethyl ether (v/v; 4:1). When no traces of C6H5NO2CH3 remained in the mobile phase, the TLC plate was examined for the appearance of the product aniline (C6H5NH2CH3). The conversion efficiency was determined by comparing the intensity of the spots between the starting substrate and the product.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, Al(NO3)3\u00b79H2O (5.2 g, 13.9 mmol, Tianjin Damao Chemical Reagent Factory, 99%), terephthalic acid (H2BDC, 1.152 g, 6.9 mmol, J&K, 99%) and RhCl3\u00b73H2O (8 mg, 0.03 mmol, Tianjin Sailboat Chemical Reagent Technology Co., Ltd., 99%) were dissolved in H2O (20 mL) under ultrasonication for 0.5 h. The mixture was then added into a 50 mL Teflon-lined stainless steel autoclave, heated to 493 K and kept for 72 h. A white powder of Rh@MIL-53 (Al) was collected by filtration, washed three times with H2O and ethanol, and dried at 333 K overnight.\nSAC synthesis: The dried Rh@MIL-53 (Al) was first calcined at 873 K for 5 h with a heating rate of 5 K\u00b7min -1 in an Ar flow of 30 mL\u00b7min -1 and then reduced at 573 K for 3 h with a heating rate of 2 K\u00b7min -1 in a 10 vol% H2/Ar flow of 30 mL\u00b7min -1. After being cooled to room temperature, a black powder was obtained and denoted as Rh@Al2O3@C material. The content of carbon in the Rh@Al2O3@C is determined to be 36.5 wt% On the basis of thermogravimetric (TG) analysis results (Fig. S1, see electronic supporting information, the same below). The Rh loading in the Rh@Al2O3@C was 0.1 wt%, as determined by inductively coupled plasma optical emission spectroscopy (ICP-OES)."
+ },
+ {
+ "id": 330,
+ "sac_id": "Atom: Rh\nSupport Material: Al2O3@C\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Rh\nSupport Material: Al2O3@C\n\n",
+ "predicted": "Precursor synthesis: 0.2 g of aluminum hydroxide was heated at 1100 \u00b0C for 2 h in a muffle furnace with a heating rate of 5 \u00b0C min -1 to obtain \u03b1-Al2O3 powder. 4.8 g of urea and 0.75 g of Al2O3 were mixed and ground uniformly, then placed in a crucible and heated at 500 \u00b0C for 2 h with a heating rate of 5 \u00b0C min -1. After cooling to room temperature naturally, the obtained material was washed with deionized water, ethanol and dried under vacuum at 60 \u00b0C overnight.\n\nSynthesis of graphene oxide (GO): Graphene oxide was prepared according to the modified Hummers' method as described previously. Briefly, graphite powder (2 g) was suspended into 30 mL H2SO4 (98 wt%) solution, followed by the addition of 0.5 g NaNO3 and 6 g KMnO4 under stirring. The mixture was kept at 50 \u00b0C for 24 h until it was cooled to room temperature. Then, 150 mL of distilled water and 60 g of H2SO4 (98 wt%) were added to swell the graphite oxide. Subsequently, the mixture was heated to 60 \u00b0C for 1 h with a reflux condenser. After that, 300 mL of distilled water and 9 g of H2SO4 (98 wt%) along with 6 g of KMnO4 were added to the reaction system. The mixture was further heated to 80 \u00b0C for 1 h while reflux condensation. Finally, 300 mL of distilled water and 15 g of H2SO4 (98 wt%) were used to wash the remaining reactants. The graphite oxide was isolated via centrifugation and washed with 2 M HCl and acetone to remove metal salts and organic impurities. The obtained GO was dispersed in deionized water at a concentration of 1 mg mL -1 for further use.\n\nPreparation of Al2O3@GO composite: 10 mL of GO suspension (1 mg mL -1 ) was mixed with 50 mL of Al(NO3)3\u00b79H2O solution (0.5 mol L -1 ) and sonicated for 30 min. The above mixture was transferred to a Teflon-lined autoclave and heated at 100 \u00b0C for 24 h. After cooling to room temperature, the obtained precipitate was collected by centrifugation and washed three times with deionized water. Finally, the product was dried under vacuum at 60 \u00b0C overnight.\n\nPyrolysis of Al2O3@GO to Al2O3@C: The Al2O3@GO was placed in a tube furnace and annealed at 1000 \u00b0C for 2 h under N2 flow (100 mL min -1 ).\n\nElectrode preparation for supercapacitors: Typically, 85 mg of carbon black, 10 mg of Al2O3@C, and 15 mg of PVDF were dispersed in 10 mL DMF under vigorous stirring for 8 h. The slurry was then coated onto carbon cloth (1 cm \u00d7 2 cm) using doctor blade method and dried at 60 \u00b0C under vacuum for 12 h. The loading amount of Al2O3@C electrode is about 1.0 mg cm -2.\n\nElectrochemical tests: Electrochemical measurements were conducted on a CHI660E electrochemical workstation (Shanghai Chenhua Co., China). Cyclic voltammetry (CV), galvanostatic charge/discharge (GCD), and electrochemical impedance spectroscopy (EIS) tests were performed at room temperature. CV tests were carried out between 0.0 and 1.5 V at a scan rate of 10 mV s -1 for 3 cycles. GCD tests were executed at a current density of -2 mA cm -2 for 3 cycles. EIS tests were performed by applying an AC signal of 5 mV at a frequency range from 100 kHz to 10 mHz. Supercapacitors were assembled in a two-electrode Swagelok cell configuration in argon-filled glove box. The mass loadings of working electrodes are about 0.5 mg cm -2, corresponding to ~0.25 mg of Al2O3@C. 0.5 m H2SO4 electrolyte was employed for CV tests and GCD tests, while 1 m KOH was used for EIS tests.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, Al(NO3)3\u00b79H2O (5.2 g, 13.9 mmol, Tianjin Damao Chemical Reagent Factory, 99%), terephthalic acid (H2BDC, 1.152 g, 6.9 mmol, J&K, 99%) and RhCl3\u00b73H2O (8 mg, 0.03 mmol, Tianjin Sailboat Chemical Reagent Technology Co., Ltd., 99%) were dissolved in H2O (20 mL) under ultrasonication for 0.5 h. The mixture was then added into a 50 mL Teflon-lined stainless steel autoclave, heated to 493 K and kept for 72 h. A white powder of Rh@MIL-53 (Al) was collected by filtration, washed three times with H2O and ethanol, and dried at 333 K overnight.\nSAC synthesis: The dried Rh@MIL-53 (Al) was first calcined at 873 K for 5 h with a heating rate of 5 K\u00b7min -1 in an Ar flow of 30 mL\u00b7min -1 and then reduced at 573 K for 3 h with a heating rate of 2 K\u00b7min -1 in a 10 vol% H2/Ar flow of 30 mL\u00b7min -1. After being cooled to room temperature, a black powder was obtained and denoted as Rh@Al2O3@C material. The content of carbon in the Rh@Al2O3@C is determined to be 36.5 wt% On the basis of thermogravimetric (TG) analysis results (Fig. S1, see electronic supporting information, the same below). The Rh loading in the Rh@Al2O3@C was 0.1 wt%, as determined by inductively coupled plasma optical emission spectroscopy (ICP-OES)."
+ }
+ ],
+ "Oxidized-single-nickel-atoms-embedded-in-Ru-matrix-for-highly-efficient-hydrogen-evolution-reaction": [
+ {
+ "id": 331,
+ "sac_id": "Atom: Ni\nSupport Material: Ru\nSynthesis Method: Photochemical\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Ru\n\n",
+ "predicted": "Precursor synthesis: The supported Ru-Ni bimetallonic cluster was prepared by the sequential deposition of Ru and Ni species from corresponding metal precursors (Ru(acac)3 and Ni(acac)2) at 350 \u00b0C in a flow of H2/Ar. The metal precursors were purchased from Sigma-Aldrich and used as received without any further purification.\n\nBimetallic cluster formation: The sequential deposition of Ru and Ni species from corresponding metal precursors (Ru(acac)3 and Ni(acac)2) at 350 \u00b0C in a flow of H2/Ar leads to the formation of the supported Ru-Ni bimetallonic cluster.\n\nSpectroscopic characterization: The infrared spectra of the samples were recorded using a Varian 680 FT-IR spectrometer equipped with a photoacoustic cell (PAC). The PAC cell was operated in the diffusion pumped vacuum of ~1 mbar. The IR spectra were collected at various temperatures between 40 - 90 \u00b0C with a resolution of 2 cm-1 and averaged over 700 scans. The CO vibrational band was measured using a Bomem MB100 Fourier transform infrared (FTIR) spectrometer equipped with a gas sample cell (Gas Cell Inc.). The spectrum was recorded at 298 K after purging the sample cell with 1 mbar of 16 mL s-1 CO flow for 1 h. The transmission of the empty cell is subtracted from the experimental spectrum.",
+ "ground_truth": "Precursor synthesis: NiCl2 powder was used as the precursor for nickel.\nSAC synthesis: In a typical synthesis, under the room temperature of 25 \u00b0C, ~0.648 mg of NiCl2 powder were dispersed in 25 mL of deionized water in a breaker with a capacity of 50 mL. After that, the breaker would be put in the ultrasonic cleaner for 10 mins to mix well. Ru target which had been polished would be placed in the bottom of the breaker. Then, the breaker would be put into the laser machine which is straightly under the lens of laser to ensure that the beam of laser can well irradiate the target. After 30 mins of irradiating, the liquid in the breaker was collected into a centrifuge tube. Centrifuge was used to separate NiRu-0.2 SAC and water due to the different gravity. The precipitate was dispersed in pure water and centrifuged again. This progress would be repeat three times to remove the possible solutes in the sample. After centrifuging, the precipitate with a little water would be put into the refrigerator to lyophilize for 12 h to remove the residual water. Finally, the target products were obtained. L-Ru, NiRu-0.1, NiRu-0.2, NiRu-0.4, NiRu-0.7 was synthesized by the above procedure, but with the different density of NiCl2 solution (0, 0.1 mM, 0.2 mM, 0.4 mM, 0.7 mM)."
+ }
+ ],
+ "Highly-active,-selective,-and-stable-Pd-single-atom-catalyst-anchored-on-N-doped-hollow-carbon-sphere-for-electrochemical-H2O2-synthesis-under-acidic-conditions": [
+ {
+ "id": 332,
+ "sac_id": "Atom: Pd\nSupport Material: N-doped hollow carbon nanospheres (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: N-doped hollow carbon nanospheres (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1.5 g polyvinylpyrrolidone (PVP, Mw = 360000), 24 mL methanol, and 7.8 mg palladium nitrate (Pd(NO\u2083)\u2082\u00b7xH\u2082O) were added into a beaker and stirred for 1 hour at room temperature to obtain solution A. 1.2 g cyanuric acid (C\u2083H\u2086N\u2083) and 24 mL methanol were added into another beaker and stirred for 1 hour at room temperature to obtain solution B. Solution A was slowly added into solution B with vigorous stirring. After aging for 2 hours, the mixed solutions were centrifuged at 9000 rpm for 10 minutes. The obtained precipitate was washed with ethanol three times by centrifugation. Finally, the precipitate was dispersed in 12 mL ethanol and stored at -20 \u2103 overnight. The as-obtained product was collected by freeze drying.\nN-C synthesis: The as-obtained product after polymerization was heated to 800 \u2103 at a rate of 5 \u2103/min and maintained at this temperature for 2 hours under a N\u2082 atmosphere. The sample was then washed with 2M H\u2082SO\u2084 and deionized water for 12 hours each to remove impurities. The sample was subsequently dried at 60 \u2103 overnight.",
+ "ground_truth": "Precursor synthesis: SiO2 spheres (100-200 nm) were synthesized as templates by the St\u00f6ber method. GO was prepared according to a modified Hummers method. 0.2 g of SiO2 spheres were dispersed in 100 mL ethanol by sonication for 20 min. 1 mL of 3-aminopropyltrimethoxysilane was added and refluxed for 5 h to obtain amine-functionalized SiO2 nanospheres. After the products were centrifugated and re-dispersed in 100 mL DI water, 30 mL of 0.2 mg/mL GO aqueous solution was added and stirred vigorously for 1 h. The products were collected by centrifugation, washed with water several times, and then dried at 60 \u00b0C overnight. The surface of the SiO2@GO nanospheres was further coated by polydopamine. 200 mg of as-prepared SiO2@GO spheres were dispersed in 100 mL of 2 mg mL^-1 dopamine Tris solution (pH 8.5, 10 mM Tris buffer) and allowed to react for 36 h under stirring at room temperature. The resultant SiO2@GO@PDA was separated and collected, and subsequently washed for 5 cycles and dried by freeze-drying. The resulting powder was carbonized at 900 \u00b0C for 3 h under inert atmosphere. The as-prepared SiO2@N-C spheres were then transformed into N-C hollow carbon nanospheres by etching the SiO2 cores with HF solution (2%) for two times. SAC synthesis: 50 mg of N-C composites were dispersed in 50 mL DI water. 0.5 mg of K2PdCl4 was added to the suspension and stirred for 2 h in an ice bath. Pd atoms were deposited on the confined interface of N-C support, leading to the formation of Pd1/N-C SAC. The reaction mixture was filtered and washed three times with pure water to remove the remaining reagents. The resulting solid Pd1/N-C catalysts were collected and dried by freeze-drying."
+ }
+ ],
+ "Unsaturated-edge-anchored-Ni-single-atoms-on-porous-microwave-exfoliated-graphene-oxide-for-electrochemical-CO2": [
+ {
+ "id": 333,
+ "sac_id": "Atom: Ni\nSupport Material: Microwave exfoliated graphene oxide (MEGO)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Microwave exfoliated graphene oxide (MEGO)\n\n",
+ "predicted": "Precursor synthesis: The GO solution was prepared by the modified Hummers' method. [21] Typically, 2 g of natural graphite was added into 50 mL H2SO4 in a 250 mL beaker under continuous stirring at room temperature. The mixture was then cooled to 0\u00b0C by adding 300 mL of H2O and 6 g NaNO3 was added. After 1 h, the mixture was heated to 90\u00b0C and 2 g KMnO4 was slowly added under vigorous stirring for 1 h. Then the reaction was continued for another 2 h before cooling to 40\u00b0C. Finally, 50 mL of H2O was carefully added followed by the addition of 100 mL of 5% H2O2 aqueous solution. The obtained product was centrifuged and washed with 10% HCl and deionized water until neutral pH, and then freeze-dried for further use.\n\nMEGO preparation: In a typical procedure, 0.8 g glucose and 0.7 g Ni(NO3)2\u00b76H2O were dissolved in 10 mL deionized water, followed by the addition of 20 mL MEGO suspension (2 mg mL-1). The mixed solution was transferred into a Teflon autoclave and heated at 160 \u00b0C for 10 h after sealing and purging with Ar gas. Then the sample was collected by centrifugation and washed with water and ethanol three times. The sample was dried at 60 \u00b0C in vacuum for 24 h.\n\nNiNCs@MEGO-600 was prepared using the same procedure as NiNCs@MEGO except that the carbonization temperature was changed to 600 \u00b0C.",
+ "ground_truth": "Precursor synthesis: Porous three dimensional microwave exfoliated graphene oxide (3D-MEGO) structure was synthesized following a previously reported procedure (supporting information) [39].\nSAC synthesis: The Ni-N-MEGO were prepared by mixing 3 mL 0.1 mol L -1 nickel nitrate ethanol solution with 100 mg MEGO powder through grinding before being dried at 80 \u00b0C. The resulting black powder was ground with 2 g urea to obtain a homogenous grey powder. The as-prepared mixture was put into a tube furnace under an NH3 (100 sccm) atmosphere at 800 \u00b0C for 30 min, yielding a black powder. Then the black powder was further treated with 2 M HNO3 to eliminate nickel nanoparticles, yielding Ni-N-MEGO."
+ }
+ ],
+ "First-demonstration-of-phosphate-enhanced-atomically-dispersed-bimetallic-FeCu-catalysts-as-Pt-free-cathodes-for-high-temperature-phosphoric-acid-doped-polybenzimidazole-fuel-cells": [
+ {
+ "id": 334,
+ "sac_id": "Atom: Cu\nSupport Material: Nitrogen-doped carbon nanotubes (N-CNTs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: Nitrogen-doped carbon nanotubes (N-CNTs)\n\n",
+ "predicted": "Precursor synthesis: Copper acetate monohydrate (0.2 mmol), 1,4-dicyanobenzene (1 mmol), and anhydrous K2CO3 (0.4 mmol) were mixed in a round-bottom flask using a bath vacuum oven dried at 80 \u00b0C for 2 h. Then, the mixture was heated at 120 \u00b0C for 12 h. After cooling down to room temperature, the residue was dissolved in DMF and filtered through a PTFE syringe filter (pore size: 0.2 \u03bcm). Subsequently, the solution was added into ethanol with gentle stirring, allowing precipitation upon addition of deionized water. The obtained solid was collected by centrifugation, thoroughly washed with ethanol and deionized water, and dried under vacuum at 60 \u00b0C for 12 h, yielding the corresponding CPTs.\n\nSynthesis of copper-doped nitrogen-containing polymer: CPT (0.05 mmol) and dopamine hydrochloride (0.25 mmol) were dispersed in 10 mL of 5% hydrochloric acid solution. After sonication for 10 min, the mixture was stirred for 24 h at room temperature. The resulting product was collected by centrifugation, thoroughly washed with deionized water, and dried under vacuum at 60 \u00b0C for 12 h, yielding the corresponding CPT-P.\n\nSynthesis of copper-doped nitrogen-doped carbon nanotubes (Cu-P/CNTs): A mixture of cupric acetate monohydrate (0.075 mmol), cobaltocene (0.075 mmol), and CPT-P (0.05 mmol) was dispersed in 10 mL of methanol and subjected to ultrasonication for 10 min. The homogeneous suspension was then transferred into a Teflon-lined stainless-steel autoclave and heated at 180 \u00b0C for 24 h. After cooling down to room temperature, the black powder was collected by centrifugation, thoroughly washed with methanol, and dried under vacuum at 60 \u00b0C for 12 h, yielding the target product Cu-P/CNTs.\n\nNitrogen doping: The as-synthesized Cu-P/CNTs were placed in a quartz tube furnace and annealed at 900 \u00b0C for 2 h at a heating rate of 5 \u00b0C min^-1 under flowing Ar gas. The final products were designated as Cu-P/CNTs-N.",
+ "ground_truth": "Precursor synthesis: CNTs (0.2 g) were dispersed in 200 mL HNO3 (68 %, Alfa Aesar) by ultrasonication and refluxed at 160 \u00b7 C for 12 h before being centrifuged at 5000 rpm. The solid powder was washed with DI water three times and denoted as O-CNTs. HP and CuAC were mixed with C2H4N2 (10 g) with the addition of 20 mL ethanol, followed by grinding till the mixture was dried. The addition of ethanol and grinding process was repeated for 4 times.\nSAC synthesis: Subsequently, the mixed powder was heated at 350 \u00b7 C for 3 h and then at 650 \u00b7 C for 3 h before being heated at 900 \u00b7 C for 1 h under Ar with a flow rate of 50 mL min GLYPH<0> 1. The as-synthesized black powder was washed with 2 M H2SO4 at 80 \u00b7 C for three times to remove the metallic NPs which could be formed during the pyrolysis process. The as-synthesized Cu on nitrogen coordinated CNTs was denoted as Cu/N-CNTs."
+ },
+ {
+ "id": 335,
+ "sac_id": "Atom: FeCu\nSupport Material: Nitrogen-doped carbon nanotubes (N-CNTs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: FeCu\nSupport Material: Nitrogen-doped carbon nanotubes (N-CNTs)\n\n",
+ "predicted": "Precursor synthesis: 0.2 g of copper chloride, 1.5 g of anhydrous sodium acetate, and 0.04 g of iron trichloride were dissolved in 30 mL of deionized water to form a clear solution. The solution was heated at 80 \u00b0C for 6 h under reflux conditions. After the solution was cooled down to room temperature, a black precipitate was collected by centrifugation and washed with ethanol and deionized water several times and dried in vacuum at 60 \u00b0C for 12 h. 0.1 g of as-prepared CuFe-MOF was mixed with 1.0 g of melamine through grinding process. The mixture powder was placed into a crucible and heated at 400 \u00b0C for 1 h and then 800 \u00b0C for 3 h with a heating rate of 2.5 \u00b0C min^-1 under flowing argon gas. The obtained black product was collected and washed with ethanol and deionized water several times and dried in vacuum at 60 \u00b0C for 12 h. The as-prepared nitrogen-doped carbon material with high content of nitrogen and high surface area was further carbonized at 2200 \u00b0C for 2 h with a heating rate of 5 \u00b0C min^-1 under argon gas pressure of 78 kPa. The final obtained material was denoted as PM@FeCu/NCNTs, where MOFs and MOFs derived nitrogen-doped CNTs were represented by 'PM' and 'M', respectively.\n\nSynthesis of FeCu/NCNTs without melamine template: The synthesis procedure is similar to the one for the preparation of PM@FeCu/NCNTs except that melamine was not used.",
+ "ground_truth": "Precursor synthesis: CNTs (0.2 g) were dispersed in 200 mL HNO3 (68 %, Alfa Aesar) by ultrasonication and refluxed at 160 \u00b7 C for 12 h before being centrifuged at 5000 rpm. The solid powder was washed with DI water three times and denoted as O-CNTs. HP and CuAC were mixed with C2H4N2 (10 g) with the addition of 20 mL ethanol, followed by grinding till the mixture was dried. The addition of ethanol and grinding process was repeated for 4 times.\nSAC synthesis: Subsequently, the mixed powder was heated at 350 \u00b7 C for 3 h and then at 650 \u00b7 C for 3 h before being heated at 900 \u00b7 C for 1 h under Ar with a flow rate of 50 mL min GLYPH<0> 1. The as-synthesized black powder was washed with 2 M H2SO4 at 80 \u00b7 C for three times to remove the metallic NPs which could be formed during the pyrolysis process. The as-synthesized bimetallic FeCu on nitrogen coordinated CNTs was denoted as FeCu/N-CNTs."
+ },
+ {
+ "id": 336,
+ "sac_id": "Atom: Fe\nSupport Material: Nitrogen-doped carbon nanotubes (N-CNTs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Nitrogen-doped carbon nanotubes (N-CNTs)\n\n",
+ "predicted": "Precursor synthesis: The preparation of CNTs was carried out by using a conventional carbothermal reduction method. 10 g of ammonium dichromate and 5 g of thiourea were mixed together and heated at 600 \u00b0C for 3 h under air flow. After that, the obtained soot was purified with HCl solution to remove residual metallic compounds. Finally, the purified CNTs were collected after drying overnight in an oven at 80 \u00b0C.\n\nSynthesis of N-CNTs: In a typical procedure, 2 g of CNTs was dispersed into 400 mL of deionized water under continuous stirring for 2 h. Then, 10 mL of concentrated sulfuric acid and 10 mL of concentrated nitric acid were added to the above solution dropwise while stirring. Subsequently, the mixture was heated at 70 \u00b0C for 1 h under reflux. After cooling down to room temperature, the suspension was centrifuged and washed with deionized water several times until neutral pH. The obtained product was then dried overnight in an oven at 80 \u00b0C. Finally, the dried sample was annealed at 900 \u00b0C for 2 h under argon gas flow with a ramping rate of 5 \u00b0C min^-1. The obtained sample was denoted as N-CNTs.\n\nPreparation of Fe/N-CNTs composites: For the preparation of Fe/N-CNTs composites, 0.5 g of as-prepared N-CNTs was mixed with 0.5 g of Fe(NO3)3\u00b79H2O and ground well. Subsequently, the mixture was annealed at 900 \u00b0C for 2 h under argon gas flow with a ramping rate of 5 \u00b0C min^-1. The obtained product was denoted as Fe/N-CNTs.",
+ "ground_truth": "Precursor synthesis: CNTs (0.2 g) were dispersed in 200 mL HNO3 (68 %, Alfa Aesar) by ultrasonication and refluxed at 160 \u00b7 C for 12 h before being centrifuged at 5000 rpm. The solid powder was washed with DI water three times and denoted as O-CNTs. HP and CuAC were mixed with C2H4N2 (10 g) with the addition of 20 mL ethanol, followed by grinding till the mixture was dried. The addition of ethanol and grinding process was repeated for 4 times.\nSAC synthesis: Subsequently, the mixed powder was heated at 350 \u00b7 C for 3 h and then at 650 \u00b7 C for 3 h before being heated at 900 \u00b7 C for 1 h under Ar with a flow rate of 50 mL min GLYPH<0> 1. The as-synthesized black powder was washed with 2 M H2SO4 at 80 \u00b7 C for three times to remove the metallic NPs which could be formed during the pyrolysis process. The as-synthesized Fe on nitrogen coordinated CNTs was denoted as Fe/N-CNTs."
+ }
+ ],
+ "Cage-confinement-pyrolysis-route-to-size-controlled-molybdenum-based-oxygen-electrode-catalysts:-From-isolated-atoms-to-clusters-and-nanoparticles": [
+ {
+ "id": 337,
+ "sac_id": "Atom: Mo\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Mo\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: Zn(NO3)2\u00b76H2O (5.58 g) was dissolved in 150 mL methanol as solution A. 2-methylimidazole (6.16 g) was dissolved in 150 mL methanol as solution B. Solution B was added dropwise to solution A with vigorous stirring at room temperature for 24 h. The precipitate was collected by centrifugation and washed with methanol three times. The product ZIF-8 was obtained after drying under vacuum at 60 \u00b0C overnight. A certain amount of ZIF-8 powder was mixed with melamine (mass ratio of 1:5), then ground thoroughly into a uniform mixture. The mixture was placed in a tube furnace and heated to 900 \u00b0C with a heating rate of 5 \u00b0C min -1 under flowing argon gas within 30 min, and then naturally cooled to room temperature. The as-prepared products were etched in 2 M HCl solution at 60 \u00b0C for 24 h to remove the Zn species. After washing with deionized water and drying under vacuum at 60 \u00b0C for 24 h, the final N-C samples were obtained.\n\nElectrochemical measurements: The electrochemical measurements were carried out on CHI 760E electrochemical workstation (Shanghai Chenhua Instrument Co., Ltd.). A three-electrode system was used for the cyclic voltammetry (CV) tests, where the as-prepared working electrode, Pt foil, and Ag/AgCl electrode served as the working electrode, counter electrode, and reference electrode, respectively. The CV test was performed in 1.0 M KOH electrolyte with an scan rate of 10 mV s -1. The electrochemical impedance spectroscopy (EIS) measurement was conducted using an LCR-NG AC frequency response analyzer (Nanjing Xiamei Electronics Co., Ltd.) with a sinusoidal AC signal of 5 mV superimposed on the open circuit potentials. The frequency ranged from 100 kHz to 10 mHz. The CV tests in the ORR process were conducted in O2-saturated 1.0 M KOH electrolyte with a rotating rate of 1600 s -1. The half-wave potential (E1/2) was defined as the potential at which the current was one half of the maximum current. Linear sweep voltammetry (LSV) polarization curves were measured with a three-electrode system on an electrochemical station (ZAHNER Co., Germany). An Ar flow was used to purge the electrolyte. A graphite rod, Ag/AgCl, and the working electrode were used as the counter electrode, reference electrode, and the electrode under test, respectively. The linear sweep rate was 10 mV s -1, and the current density was calculated based on the geometric area of the working electrode. To evaluate the ORR activity, the Tafel plots were plotted according to the LSV curves.",
+ "ground_truth": "Precursor synthesis: The confined POM@ZIF-8 was obtained via a one-step process, i.e., the reaction for 4 h involving a Zn(NO3)2 \u00b7 6H2O methanol solution with a concentration of 29.5 mg mL^-1, a 2-methylimidazole (2-mIm) methanol solution with a concentration of 145.1 mg mL^-1 and a POM water solution, where the concentration of POM was controlled at 8 mg mL^-1 by adding an amount of 10 mg of POM.\nSAC synthesis: The POM@ZIF-8 sample (10 mg) was then pyrolyzed to yield the Mo single atom catalysts anchored on the nitrogen-doped carbon matrix (Mo SACs/N-C, Figs. S6 and S7), where the cubic morphology of the ZIF8 precursor is well maintained (Fig. S8)."
+ }
+ ],
+ "Folic-acid-self-assembly-synthesis-of-ultrathin-N-doped-carbon-nanosheets-with-single-atom-metal-catalysts": [
+ {
+ "id": 338,
+ "sac_id": "Atom: Ni\nSupport Material: N-doped carbon nanosheets\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: N-doped carbon nanosheets\n\n",
+ "predicted": "Precursor synthesis: 1.0 g of Ni(NO3)2\u00b76H2O and 1.0 g of 4,4'-bipyridine were dissolved in 50 mL of methanol to form a clear solution. The mixture was then transferred into a Teflon-lined autoclave and heated at 120 \u00b0C for 8 h. After cooling down to room temperature, the obtained solid product was washed with ethanol and water several times before being dried in vacuum at 70 \u00b0C overnight.\n\nSynthesis of Ni-N-C: 0.1 g of NiO was mixed with 0.1 g of dopamine hydrochloride in 100 mL of Tris-buffer solution (pH = 8.5). The mixture was then transferred into a water bath at 60 \u00b0C for polymerization until it completely dissolved in water. Subsequently, the mixture was moved to a fume hood and allowed to stand at room temperature for 24 h to fully evaporate the water, leaving only the Ni-containing polydopamine. Finally, the Ni-containing polydopamine was annealed at 900 \u00b0C under N2 for 3 h. The annealed product was labeled as Ni-N-C.",
+ "ground_truth": "Precursor synthesis: We first synthesize layered FA-Ni supramolecular nanosheets (FA-Ni NS) as precursors through the hydrothermal-assisted self-assembly of FA molecules. The dissolution and partial dissociation of FA promotes a controllable formation of FA-Ni complexes, which synchronously self-organize into supramolecular assemblies with undissociated molecules and facilitate the generation of FA-Ni NS (Fig. S1-S4).\nSAC synthesis: Afterwards, the FA-Ni NS is directly carbonized in an Ar atmosphere to generate Ni-N-C SAC without any further treatment. The metal-ligand coordination together with the spatial isolation from undissociated molecules are advantageous in frustrating the sintering of metal atoms during pyrolysis. Moreover, the pyrolytic cracking of FA-Ni NS in situ produces extensive C-N x species, which provide strong binding sites for metal atoms by forming Ni-N x moieties."
+ },
+ {
+ "id": 339,
+ "sac_id": "Atom: Co\nSupport Material: N-doped carbon nanosheets\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: N-doped carbon nanosheets\n\n",
+ "predicted": "Precursor synthesis: 1,2-dicyanobenzene (0.5 g), cobalt acetate tetrahydrate (0.36 g), and Zn(Ac)2\u00b72H2O (4.78 g) were mixed via ball milling for 2 h in a zirconia jar with zirconia balls (diameter = 5 mm). The mixture was transferred to an alumina crucible inside a glove box, heated at 700 \u00b0C for 2 h with a ramping rate of 5 \u00b0C min-1 under argon flow. After cooling to room temperature, the product was washed with deionized water, ethanol, and dichloromethane in sequence.\nSAC synthesis: As-synthesized Co NCs (0.1 g) were dispersed in 20 mL HMF followed by reflux at 120 \u00b0C for 12 h. After evaporation of solvent, the residue was subjected to pyrolysis at 900 \u00b0C for 2 h with a ramping rate of 5 \u00b0C min-1 under argon flow. The products were washed with deionized water, ethanol, and dichloromethane in sequence.",
+ "ground_truth": "Precursor synthesis: We first synthesize layered FA-Co supramolecular nanosheets (FA-Co NS) as precursors through the hydrothermal-assisted self-assembly of FA molecules. The dissolution and partial dissociation of FA promotes a controllable formation of FA-Co complexes, which synchronously self-organize into supramolecular assemblies with undissociated molecules and facilitate the generation of FA-Co NS (Fig. S1-S4).\nSAC synthesis: Afterwards, the FA-Co NS is directly carbonized in an Ar atmosphere to generate Co-N-C SAC without any further treatment. The metal-ligand coordination together with the spatial isolation from undissociated molecules are advantageous in frustrating the sintering of metal atoms during pyrolysis. Moreover, the pyrolytic cracking of FA-Co NS in situ produces extensive C-N x species, which provide strong binding sites for metal atoms by forming Co-N x moieties."
+ },
+ {
+ "id": 340,
+ "sac_id": "Atom: Fe\nSupport Material: N-doped carbon nanosheets\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: N-doped carbon nanosheets\n\n",
+ "predicted": "Precursor synthesis: 1,2-dicyanobenzene, FeCl3\u00b76H2O, and HCl (37%) were used as precursors.\nSynthesis: The preparation procedure of the Fe-NCS was similar to that of the S-NCS except for replacing the S precursor with FeCl3\u00b76H2O (0.5 mM). Specifically, 1,2-dicyanobenzene (1.4 g) and FeCl3\u00b76H2O (80 mg) were dissolved in 9 mL ethanol followed by the addition of 1 mL acetic acid (37 wt%). After stirring for 10 min, a 0.5 mL HCl solution (37 wt%) was added and stirred for another 10 min. Then, the mixed solution was transferred into a Teflon-lined autoclave and heated at 180 \u00b0C for 12 h. After cooling down naturally, the obtained black powder was washed several times with water and ethanol, and dried in an oven at 60 \u00b0C overnight. Finally, the Fe-NCS was obtained after calcination at 800 \u00b0C for 2 h under Ar atmosphere with a ramping rate of 5 \u00b0C/min.",
+ "ground_truth": "Precursor synthesis: We first synthesize layered FA-Fe supramolecular nanosheets (FA-Fe NS) as precursors through the hydrothermal-assisted self-assembly of FA molecules. The dissolution and partial dissociation of FA promotes a controllable formation of FA-Fe complexes, which synchronously self-organize into supramolecular assemblies with undissociated molecules and facilitate the generation of FA-Fe NS (Fig. S1-S4).\nSAC synthesis: Afterwards, the FA-Fe NS is directly carbonized in an Ar atmosphere to generate Fe-N-C SAC without any further treatment. The metal-ligand coordination together with the spatial isolation from undissociated molecules are advantageous in frustrating the sintering of metal atoms during pyrolysis. Moreover, the pyrolytic cracking of FA-Fe NS in situ produces extensive C-N x species, which provide strong binding sites for metal atoms by forming Fe-N x moieties."
+ },
+ {
+ "id": 341,
+ "sac_id": "Atom: Mn\nSupport Material: N-doped carbon nanosheets\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Mn\nSupport Material: N-doped carbon nanosheets\n\n",
+ "predicted": "Precursor synthesis: 1.2 g manganese chloride tetrahydrate (MnCl4\u00b74H2O) and 0.8 g of dopamine hydrochloride were added into a 50 mL aqueous solution containing 36.2 g sodium carbonate under continuous stirring at room temperature for 12 h to obtain a black solid precipitate (denoted as Mn-DA).\nSynthesis of Mn-C3N4-1000: A mixture of 2 g C3N4 and 100 mg Mn-DA was dispersed in 100 mL deionized water, followed by ultrasonication for 1 h and vigorous stirring for another 3 h. The suspension was then freeze-dried for 72 h to remove the water until completely dry. Next, the dried mixture was heated to 1000 \u00b0C at a rate of 5 \u00b0C min\u22121 under an Ar flow and kept for 2 h to be converted into Mn-C3N4-1000.",
+ "ground_truth": "Precursor synthesis: We first synthesize layered FA-Mn supramolecular nanosheets (FA-Mn NS) as precursors through the hydrothermal-assisted self-assembly of FA molecules. The dissolution and partial dissociation of FA promotes a controllable formation of FA-Mn complexes, which synchronously self-organize into supramolecular assemblies with undissociated molecules and facilitate the generation of FA-Mn NS (Fig. S1-S4).\nSAC synthesis: Afterwards, the FA-Mn NS is directly carbonized in an Ar atmosphere to generate Mn-N-C SAC without any further treatment. The metal-ligand coordination together with the spatial isolation from undissociated molecules are advantageous in frustrating the sintering of metal atoms during pyrolysis. Moreover, the pyrolytic cracking of FA-Mn NS in situ produces extensive C-N x species, which provide strong binding sites for metal atoms by forming Mn-N x moieties."
+ },
+ {
+ "id": 342,
+ "sac_id": "Atom: Zn\nSupport Material: N-doped carbon nanosheets\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Zn\nSupport Material: N-doped carbon nanosheets\n\n",
+ "predicted": "Precursor synthesis: The Zn(NO3)2\u00b76H2O and 2-methylimidazole (MeIM) were dissolved in methanol.\n\nSynthesis: In a typical synthesis, 100 mg of Zn(NO3)2\u00b76H2O and 100 mg of 2-methylimidazole (MeIM) were dissolved in 5 mL of methanol with stirring to form a transparent solution. After that, 1 g of CS was added into the above solution and continued stirring for 4 h. Then the mixed solution was transferred into a Teflon-lined autoclave at 180 \u00b0C for 12 h. The obtained sample was centrifuged and washed with water three times and dried under vacuum at 70 \u00b0C. The dried powder was placed in a tube furnace and heated to 900 \u00b0C for 2 h at a ramp rate of 5 \u00b0C min^-1 under flowing argon gas. The calcinated product was immersed in 1 M HCl solution for 24 h to remove the Zn particles. Finally, the samples were washed with deionized water and ethanol several times and dried under vacuum at 70 \u00b0C overnight. Without CS, 2D N-doped carbon with Fe-N4 configuration could be obtained by the same procedure.",
+ "ground_truth": "Precursor synthesis: We first synthesize layered FA-Zn supramolecular nanosheets (FA-Zn NS) as precursors through the hydrothermal-assisted self-assembly of FA molecules. The dissolution and partial dissociation of FA promotes a controllable formation of FA-Zn complexes, which synchronously self-organize into supramolecular assemblies with undissociated molecules and facilitate the generation of FA-Zn NS (Fig. S1-S4).\nSAC synthesis: Afterwards, the FA-Zn NS is directly carbonized in an Ar atmosphere to generate Zn-N-C SAC without any further treatment. The metal-ligand coordination together with the spatial isolation from undissociated molecules are advantageous in frustrating the sintering of metal atoms during pyrolysis. Moreover, the pyrolytic cracking of FA-Zn NS in situ produces extensive C-N x species, which provide strong binding sites for metal atoms by forming Zn-N x moieties."
+ }
+ ],
+ "Facile-synthesis-of-single-nickel-atomic-dispersed-N-doped-carbon-framework-for-efficient-electrochemical-CO2-reduction": [
+ {
+ "id": 343,
+ "sac_id": "Atom: Ni\nSupport Material: N-doped carbon nanotubes (NCNTs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: N-doped carbon nanotubes (NCNTs)\n\n",
+ "predicted": "Precursor synthesis: The NCNT support was first washed with 15 mL of hydrochloric acid solution (HCl, 2.0 M) and water at 80 \u00b0C for 6 h. After washing with DI water for 3 times and drying overnight at 80 \u00b0C, the activated NCNT powder was obtained. A certain amount of NCNT powder was dispersed in anhydrous ethanol under sonication for 30 min and re-dried at 80 \u00b0C to remove ethanol. 4.0 mL of anhydrous ethanol containing 7.9 mg of nickel nitrate hexahydrate (Ni(NO\u2083)\u2082\u00b76H\u2082O) was mixed with 2.0 mL of anhydrous ethanol containing 100 \u03bcL of aniline and 1.0 g of the activated NCNT powder by sonication. After stirring at room temperature for 2 h, the obtained slurry was dried at 80 \u00b0C overnight. The dried slurry was transferred into a tube furnace and heated to 800 \u00b0C at a ramping rate of 10 \u00b0C/min and kept for 2 h under flowing Ar gas. After cooling down to room temperature, the as-synthesized Ni/NCNT material was collected.",
+ "ground_truth": "Precursor synthesis: 71.3 mg (0.3 mmol) NiCl2\u00b76H2O was dissolved in 35 mL methanol. 2 g dicyandiamide (DCD) was added into the nickel chloride solution under vigorous stirring overnight at room temperature.\nSAC synthesis: After evaporating methanol at 50 \u00b0C, the as-obtained solid was washed with methanol and dried at 60 \u00b0C overnight. At last, the dried solid was pyrolyzed at 1000 \u00b0C for 2 h at a heating rate of 5 \u00b0C min-1 under flow of Ar to yield Ni/DCD."
+ },
+ {
+ "id": 344,
+ "sac_id": "Atom: Ni\nSupport Material: ZIF\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: ZIF\n\n",
+ "predicted": "Precursor synthesis: The methanol solution (50 mL) containing nickel nitrate was added dropwise to the methanol solution (100 mL) containing 2-methylimidazole under stirring. Stirring was continued at room temperature for 24 h. The as-obtained precipitates were centrifuged and washed with methanol three times. After vacuum drying at 60 \u00b0C for 8 h, the desired product Ni-ZIF was obtained.\nSynthesis of Ni-ZIF/SWS: The freeze-drying process was carried out in a typical freeze-drying procedure. Firstly, the as-synthesized Ni-ZIF powder was dispersed in deionized water and frozen at -80 \u00b0C. Then, vacuum freeze-drying was performed for 24 h. The dried Ni-ZIF powder was placed in a porcelain boat and annealed at 900 \u00b0C for 3 h with a heating rate of 5 \u00b0C min-1 under flowing Ar gas. The final products of Ni-ZIF/SWS were obtained.",
+ "ground_truth": "Precursor synthesis: 71.3 mg (0.3 mmol) NiCl2\u00b76H2O was dissolved in 35 mL methanol. 2 g dicyandiamide (DCD) was added into the nickel chloride solution under vigorous stirring overnight at room temperature.\nSAC synthesis: After evaporating methanol at 50 \u00b0C, the as-obtained solid was washed with methanol and dried at 60 \u00b0C overnight. At last, the dried solid was pyrolyzed at 1000 \u00b0C for 2 h at a heating rate of 5 \u00b0C min-1 under flow of Ar to yield Ni/DCD."
+ },
+ {
+ "id": 345,
+ "sac_id": "Atom: Fe\nSupport Material: N-doped carbon\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: N-doped carbon\n\n",
+ "predicted": "Precursor synthesis: The preparation of ZIF-8 was similar to that of ZIF-67, except that the molar ratio of Zn(NO3)2\u00b76H2O and 2-methylimidazole (2-MeIm) was 1 : 2.\n\nN-doped carbon synthesis: Typically, 50 mg ZIF powder (ZIF-67 or ZIF-8) was dispersed in 4 mL n-hexane under ultrasonication for 1 h. Then, 100 \u03bcL pyrrole was added into the above solution with stirring for 1 min. After evaporating n-hexane at room temperature, the remaining solid was ground into powders. The obtained black powder was heated from RT to 900 \u00b0C at a rate of 5 \u00b0C min-1 and kept for 2 h under Ar flowing. Finally, the prepared sample was cooled to room temperature and leached in 0.5 M H2SO4 at 80 \u00b0C for 12 h. After washing with deionized water and ethanol, the sample was dried at 60 \u00b0C overnight. For comparison, pure n-carbon was also prepared by the same procedure without adding ZIF precursors.",
+ "ground_truth": "Precursor synthesis: 0.837 g Zn(NO3)2\u00b76H2O and 0.3 mmol FeClx\u00b7xH2O were dissolved in 35 mL methanol first. 2 g dicyandiamide (DCD) and 0.924 g 2-methylimidazole (2MeIm) were added into the above solution in sequence under vigorous stirring at room temperature overnight (more than 8 h).\nSAC synthesis: After evaporation of methanol from the mixture at 50 \u00b0C, the as-obtained solid was washed with methanol and dried at 60 \u00b0C overnight. Then, the dried solid was pyrolyzed at 1000 \u00b0C for 2 h at a heating rate of 5 \u00b0C min-1 under flow of Ar to yield Fe."
+ },
+ {
+ "id": 346,
+ "sac_id": "Atom: Sn\nSupport Material: N-doped carbon\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Sn\nSupport Material: N-doped carbon\n\n",
+ "predicted": "Precursor synthesis: 1,2-dicyanobenzene (0.5 g), Lewis basic ligand (0.3 g), and SnCl4 \u00b7 5H2O (0.6 g) were added to a round-bottom flask with 10 mL of anhydrous DMF and sonicated for 5 min. The mixture was then heated at 140 \u00b0C for 12 h under magnetic stirring. After cooling to room temperature, the product was collected by centrifugation, washed three times with ethanol, and dried under vacuum.\nSacrificial template removal: As-synthesized Sndoped carbon nitride powder (0.2 g) was dispersed in 8 M HNO3 solution (40 mL) and sonicated for 10 min. The mixture was heated at 70 \u00b0C for 12 h, cooled to room temperature, and collected by centrifugation. The resulting product was washed three times with deionized water and ethanol, respectively, and finally dried under vacuum.",
+ "ground_truth": "Precursor synthesis: 0.837 g Zn(NO3)2\u00b76H2O and 0.3 mmol SnClx\u00b7xH2O were dissolved in 35 mL methanol first. 2 g dicyandiamide (DCD) and 0.924 g 2-methylimidazole (2MeIm) were added into the above solution in sequence under vigorous stirring at room temperature overnight (more than 8 h).\nSAC synthesis: After evaporation of methanol from the mixture at 50 \u00b0C, the as-obtained solid was washed with methanol and dried at 60 \u00b0C overnight. Then, the dried solid was pyrolyzed at 1000 \u00b0C for 2 h at a heating rate of 5 \u00b0C min-1 under flow of Ar to yield Sn."
+ },
+ {
+ "id": 347,
+ "sac_id": "Atom: N\nSupport Material: C\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: N\nSupport Material: C\n\n",
+ "predicted": "Precursor synthesis: 1.0 g of Zn(NO3)2\u00b76H2O and 0.5 g of Chitosan were dissolved in 50 mL of deionized water to form a clear solution (denoted as ZnCS).\nMetal-directed assembly: 1.0 g of KCl and 1.0 g of NaCl were mixed and ground uniformly, then added the mixture into ZnCS solution and stirred for 6 h.\nTransmetallization: The obtained solution was transferred to a Teflon-lined stainless steel autoclave and heated at 180 \u00b0C for 4 h. After cooling down to room temperature, the obtained slurry was separated by centrifugation and purified with deionized water three times. The obtained solid product was dried at 70 \u00b0C overnight.\nBall milling: The powder of ZnFe2O4@KCl/NaCl was put into an agate jar with agate balls and milled for 6, 12, or 24 h at a rotation speed of 300 rpm.\nAnnealing: The milled powders were heated at 900 \u00b0C for 2 h under Ar atmosphere. The products after milling for 6, 12, and 24 h were denoted as N-CMF-6, N-CMF-12, and N-CMF-24, respectively.",
+ "ground_truth": "Precursor synthesis: 0.837 g Zn(NO3)2\u00b76H2O was dissolved in 35 mL methanol. 2 g DCD and 0.924 g 2-MeIm were added into the above zinc nitrate solution under vigorous stirring overnight at room temperature.\nSAC synthesis: After evaporation of methanol from the mixture at 50 \u00b0C, the as-obtained solid was washed with methanol and dried at 60 \u00b0C overnight. At last, the dried solid was pyrolyzed at 1000 \u00b0C for 2 h at a heating rate of 5 \u00b0C min-1 under flow of Ar to yield N-C."
+ },
+ {
+ "id": 348,
+ "sac_id": "Atom: Mn\nSupport Material: N-doped carbon\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Mn\nSupport Material: N-doped carbon\n\n",
+ "predicted": "Precursor synthesis: Manganese acetate and cetyltrimethylammonium bromide (CTAB) were used as precursors.\nN-doped carbonization: The precursors were mixed in a mortar, calcined at 900 \u00b0C for 2 h under N2 atmosphere, and then leached with HCl solution to obtain the final products.\nCharacterization: XRD, SEM, TEM, Raman spectroscopy, XPS, and EPR were used to characterize the samples.",
+ "ground_truth": "Precursor synthesis: 0.837 g Zn(NO3)2\u00b76H2O and 0.3 mmol MnClx\u00b7xH2O were dissolved in 35 mL methanol first. 2 g dicyandiamide (DCD) and 0.924 g 2-methylimidazole (2MeIm) were added into the above solution in sequence under vigorous stirring at room temperature overnight (more than 8 h).\nSAC synthesis: After evaporation of methanol from the mixture at 50 \u00b0C, the as-obtained solid was washed with methanol and dried at 60 \u00b0C overnight. Then, the dried solid was pyrolyzed at 1000 \u00b0C for 2 h at a heating rate of 5 \u00b0C min-1 under flow of Ar to yield Mn."
+ },
+ {
+ "id": 349,
+ "sac_id": "Atom: Ni\nSupport Material: DCD\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: DCD\n\n",
+ "predicted": "Precursor synthesis: 2.13 g (5.46 mmol) of ZrCl4 and 0.87 g (5.46 mmol) of Ni(NO3)2\u00b76H2O were dissolved in 40 mL of N,N-dimethylformamide with stirring to form solution A. 1.27 g (16.18 mmol) of benzoic acid was added to 20 mL of N,N-dimethylformamide with stirring to form solution B. Solution A was added to solution B with stirring at room temperature for 2 h. The mixture was transferred into the Teflon-lined stainless steel autoclave after filtration. The Teflon-lined stainless steel autoclave was placed in an oven with a constant temperature of 140 \u00b0C for 24 h. The product was obtained by centrifugation and dried at 60 \u00b0C for 12 h.\nSintering process: The as-prepared precursors were calcined at 900 \u00b0C for 2h with the heating rate of 2 \u00b0C min-1 under flowing N2 gas.",
+ "ground_truth": "Precursor synthesis: 71.3 mg (0.3 mmol) NiCl2\u00b76H2O was dissolved in 35 mL methanol. 2 g dicyandiamide (DCD) was added into the nickel chloride solution under vigorous stirring overnight at room temperature.\nSAC synthesis: After evaporating methanol at 50 \u00b0C, the as-obtained solid was washed with methanol and dried at 60 \u00b0C overnight. At last, the dried solid was pyrolyzed at 1000 \u00b0C for 2 h at a heating rate of 5 \u00b0C min-1 under flow of Ar to yield Ni/DCD."
+ },
+ {
+ "id": 350,
+ "sac_id": "Atom: Co\nSupport Material: N-doped carbon\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: N-doped carbon\n\n",
+ "predicted": "Precursor synthesis: Typically, Zn(NO3)2\u00b76H2O (0.558 g) and Co(NO3)2\u00b76H2O (0.117 g) were dissolved in 20 mL of methanol; then 2-methylimidazole (0.616 g) in 20 mL of methanol was subsequently injected into above solution under vigorous stirring for 6 hours at room temperature. As-obtained precipitates were collected by centrifugation at 11,000 rpm for 5 minutes, washed three times with methanol, and finally dried in vacuum at 70 o C overnight.\nSacrificial template removal: The powder of ZnCo-MOF was placed in a crucible and heated to 900 o C with a ramp rate of 5 o C min -1 for 3 hours in a tube furnace under Ar flow.\nCharacterization: The XRD patterns of the samples were recorded on a Bruker D8 Advanced diffractometer using Cu K\u03b1 radiation (\u03bb=0.154 nm). SEM images were taken on a Zeiss Supra 55 field emission scanning electron microscope. TEM and HRTEM observations were performed on a JEOL JEM-2100F transmission electron microscope operating at 200 kV. Raman spectra were measured by using a Renishaw inVia Raman spectrometer equipped with a 532 nm laser. XANES measurements at the Co K-edge were carried out at the BL14B1 beamline of Shanghai Synchrotron Radiation Facility (SSRF), China. FT-IR spectra were obtained using a Spectrum GX spectrometer (PerkinElmer) within the range of 400-4000 cm -1. Nitrogen adsorption-desorption isotherms were measured at 77 K using an ASAP 2020 V 4.01 adsorption physisorption analyzer (Micromeritics). STEM-EELS elemental mapping analysis was conducted on a JEOL ARM200F transmission electron microscope operating at 200 kV. Electrochemical measurements were performed in a standard three-electrode system with 5 mM K3[Fe(CN)6]/KSCN electrolyte. The working electrode was a rotating disc electrode (RDE) or a glassy carbon electrode (CV). A saturated calomel electrode (SCE) and graphite rod were used as reference and counter electrodes, respectively.",
+ "ground_truth": "Precursor synthesis: 0.837 g Zn(NO3)2\u00b76H2O and 0.3 mmol CoClx\u00b7xH2O were dissolved in 35 mL methanol first. 2 g dicyandiamide (DCD) and 0.924 g 2-methylimidazole (2MeIm) were added into the above solution in sequence under vigorous stirring at room temperature overnight (more than 8 h).\nSAC synthesis: After evaporation of methanol from the mixture at 50 \u00b0C, the as-obtained solid was washed with methanol and dried at 60 \u00b0C overnight. Then, the dried solid was pyrolyzed at 1000 \u00b0C for 2 h at a heating rate of 5 \u00b0C min-1 under flow of Ar to yield Co."
+ }
+ ],
+ "A-versatile-approach-for-quantification-of-surface-site-fractions-using-reaction-kinetics:-The-case-of-CO-oxidation-on-supported-Ir-single-atoms-and-nanoparticles": [
+ {
+ "id": 351,
+ "sac_id": "Atom: Ir\nSupport Material: MgAl2O4\nSynthesis Method: High temperature\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ir\nSupport Material: MgAl2O4\n\n",
+ "predicted": "Precursor synthesis: The aqueous solutions of Fe(NO3)3 (0.186 M), Co(NO3)2 (0.095 M), and Zn(NO3)2 (0.095 M) were prepared separately. 10 g of gelatin was dissolved in 70 mL of distilled water at 45 \u00b0C. Then, the corresponding metal ion solution was added dropwise to the gelatin solution under stirring at room temperature until gelatin was completely dissolved. The pH value of the gel solution was adjusted to 7.0 by adding NaOH solution (0.1 M). After aging for 2 h, the gel solution was frozen using liquid nitrogen, and then freeze-dried for 72 h to remove water. Subsequently, the dried gel sample was heated to 100 \u00b0C with a heating rate of 1 \u00b0C/min, and kept at this temperature for 2 h under nitrogen atmosphere to obtain carbonized sample. The carbonized sample was immersed in 1 M HCl solution for 24 h to remove metal oxides. After that, the sample was rinsed thoroughly with distilled water and dried at 60 \u00b0C overnight. Finally, the dried sample was calcined at 700 \u00b0C for 2 h under N2 flow.\n\nCAT analysis: The as-prepared samples were placed on an X-ray source tube window. The current of X-ray source was set to 10 mA, and the voltage was set to 300 V. The time of CAT analysis was 10 s, and the number of CAT images was 100. The CAT images were processed by ImageJ software.",
+ "ground_truth": "Precursor synthesis: The proper amount of iridium nitrate precursor (aqueous solution, Ir concentration in solution is 8.7 wt%, Furuya Metal Co. Ltd.) was added to the MgAl2O4 support (Puralox MG30, Sasol) drop-by-drop while mixing, and the sample was then dried at 80 \u00b0C for 4 h and 100 \u00b0C (at 0.5 \u00b0C/min) for 12 h.\nSAC synthesis: After impregnation and drying, sample 1 was reduced in-situ with 20 kPa H2 (balance He, 80 sccm total flow rate) at 800 \u00b0C (at 10 \u00b0C/min) for 2 h."
+ }
+ ],
+ "Hydrochlorination-of-acetylene-on-single-atom-Pd-N-doped-carbon-catalysts:-Importance-of-pyridinic-N-synergism": [
+ {
+ "id": 352,
+ "sac_id": "Atom: Pd\nSupport Material: NC800\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: NC800\n\n",
+ "predicted": "Precursor synthesis: 2.3 mg of palladium chloride (PdCl2) was dissolved in 1 mL ethanol and stirred for 4 h at room temperature.\n\nSynthesis: The dried NC800 support (500 mg) was mixed with the Pd precursor solution (2.3 mg of PdCl2 dissolved in 1 mL of ethanol) and stirred for 4 h at room temperature. The mixture was then dried in air for 12 h and calcined in a tube furnace under 5% H2/Ar atmosphere at 600 \u00b0C for 2 h with a ramp rate of 5 \u00b0C/min.",
+ "ground_truth": "Precursor synthesis: Ionic liquids (ILs) 1-ethyl-3-methylimidazolium-bis (trifluoromethylsulfonyl) imide [EMIM + -NTf2 -] and 1-ethyl-3-methylimidazolium dicyanamide [EMIM + -N(CN)2 -], (Lanzhou Greenchem. ILS, LICP. CAS., Fig. 1) were mixed together at 50 \u00b0C in an aqueous solution of ethanol at a molar ratio of 5:1 [EMIM + -NTf2 -]: [EMIM + -N (CN)2 -]. The obtained binary IL-mixture was carbonized at 700 \u00b0C under nitrogen (N2) atmosphere to synthesize carriers named NC700, followed by the preparation of Pd/NC700 catalysts using a wet impregnation method as previously reported [34-36]. Because of the [N(CN)2 -] nitrile-containing anions in [EMIM + -N(CN)2 -] [37], a carbonization yield of 17.52 wt.% was observed. The carbon materials synthesized here presented high mechanical strength with a slight change during reaction process, which was stable at about \u223c91 %. All prepared carriers were carefully ground to pass through a 120 mesh before use.\n\nSAC synthesis: The reference Pd/NC700-TA catalyst was prepared in a similar way to Pd/NC800-TA, but using NC700 as the support material."
+ },
+ {
+ "id": 353,
+ "sac_id": "Atom: Pd\nSupport Material: AC-R\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: AC-R\n\n",
+ "predicted": "Precursor synthesis: 5.0 g of palladium(II) nitrate dihydrate (Pd(NO3)2\u00b72H2O, 97%) was dispersed in 10 mL of deionized water and then added dropwise into 100 mL of acetonitrile solution containing 1.0 g of acrylonitrile (CH2=CHN, 99%). The mixture was stirred at room temperature for 48 h. After centrifugation, the precipitate was washed with ethanol and vacuum dried at 60 \u00b0C for 24 h to obtain Pd(CH2=CHN)2\u00b7xH2O.\n\nSynthesis: AC-R was prepared by a one-step method using RuCl3 as a metal precursor. Briefly, 1.0 g of activated carbon (XAF-V10, 20-40 mesh, 99.9%, Sigma-Aldrich) was ultrasonically dispersed in 100 mL of deionized water, followed by adding 0.1 g of RuCl3. The suspension was refluxed at 100 \u00b0C for 24 h, filtered, washed with deionized water until the filtrate was neutral, and dried at 60 \u00b0C overnight. Then, it was reduced under 10 vol% H2/Ar at 200 \u00b0C for 2 h to obtain AC-Ru. Next, 0.2 g of AC-Ru was dispersed in 20 mL of acetonitrile solution containing 0.02 g of Pd(CH2=CHN)2\u00b7xH2O, and then stirred at room temperature for 24 h. Subsequently, the solid was washed with acetonitrile and vacuum dried at 60 \u00b0C for 24 h. Finally, the obtained solid was pyrolyzed under 10 vol% H2/Ar at 400 \u00b0C for 2 h to produce AC-RpPd. The loading amount of Pd in AC-RpPd was determined to be 1.4 wt% based on ICP-AES analysis.\n\nCharacterization: The morphology of the catalysts was observed by field emission scanning electron microscopy (FESEM, JEOL JSM-7600F) operated at an accelerating voltage of 10 kV. Transmission electron microscopy (TEM, JEOL JEM-2100F) was conducted at an accelerating voltage of 200 kV. Energy-dispersive X-ray spectroscopy (EDS, Oxford Instruments X-Max 20) attached to TEM was used to determine the elemental composition of the catalysts. X-ray diffraction (XRD, PANalytical Empyrean) patterns were recorded using Cu K\u03b1 radiation. X-ray photoelectron spectroscopy (XPS, Thermo ESCALAB Xi+ double sphere type) was performed to analyze the chemical states of the elements in the catalysts. Fourier transform infrared spectroscopy (FTIR, PerkinElmer Spectrum One FTIR Spectrometer) was carried out to investigate the surface functional groups of the catalysts. Thermogravimetric analysis (TA Instruments Q500) was conducted under 10 vol% H2/Ar from room temperature to 600 \u00b0C at a heating rate of 10 \u00b0C min-1.",
+ "ground_truth": "Precursor synthesis: Ionic liquids (ILs) 1-ethyl-3-methylimidazolium-bis (trifluoromethylsulfonyl) imide [EMIM + -NTf2 -] and 1-ethyl-3-methylimidazolium dicyanamide [EMIM + -N(CN)2 -], (Lanzhou Greenchem. ILS, LICP. CAS., Fig. 1) were mixed together at 50 \u00b0C in an aqueous solution of ethanol at a molar ratio of 5:1 [EMIM + -NTf2 -]: [EMIM + -N (CN)2 -]. The obtained binary IL-mixture was carbonized at 700 \u00b0C under nitrogen (N2) atmosphere to synthesize carriers named NC700, followed by the preparation of Pd/NC700 catalysts using a wet impregnation method as previously reported [34-36]. Because of the [N(CN)2 -] nitrile-containing anions in [EMIM + -N(CN)2 -] [37], a carbonization yield of 17.52 wt.% was observed. The carbon materials synthesized here presented high mechanical strength with a slight change during reaction process, which was stable at about \u223c91 %. All prepared carriers were carefully ground to pass through a 120 mesh before use.\n\nSAC synthesis: The reference Pd/NC700-TA catalyst was prepared in a similar way to Pd/NC800-TA, but using NC700 as the support material."
+ },
+ {
+ "id": 354,
+ "sac_id": "Atom: Pd\nSupport Material: NC800-TA\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: NC800-TA\n\n",
+ "predicted": "Precursor synthesis: 2.5 mg of Pd(acac)2 was dissolved in 1 mL of deionized water containing 60 \u03bcL of triethylamine and 30 \u03bcL of tetrahydrofuran, followed by the addition of 100 mg of TA. The suspension was then sonicated for 1 h and dried under reduced pressure at 45 \u00b0C to obtain Pd(acac)2@TA.\nSynthesis: 100 mg of NC800 was mixed with 10 mL of deionized water and 60 \u03bcL of triethylamine. After sonication for 1 h, 10 mg of Pd(acac)2@TA was added into the mixture, which was then stirred for another hour. Subsequently, the mixture was dried under reduced pressure at 45 \u00b0C to obtain Pd(acac)2@TA/NC800. The final product was obtained after annealing at 400 \u00b0C for 2 h in a stream of 5% H2/Ar.",
+ "ground_truth": "Precursor synthesis: Ionic liquids (ILs) 1-ethyl-3-methylimidazolium-bis (trifluoromethylsulfonyl) imide [EMIM + -NTf2 -] and 1-ethyl-3-methylimidazolium dicyanamide [EMIM + -N(CN)2 -], (Lanzhou Greenchem. ILS, LICP. CAS., Fig. 1) were mixed together at 50 \u00b0C in an aqueous solution of ethanol at a molar ratio of 5:1 [EMIM + -NTf2 -]: [EMIM + -N (CN)2 -]. The obtained binary IL-mixture was carbonized at 700 \u00b0C under nitrogen (N2) atmosphere to synthesize carriers named NC700, followed by the preparation of Pd/NC700 catalysts using a wet impregnation method as previously reported [34-36]. Because of the [N(CN)2 -] nitrile-containing anions in [EMIM + -N(CN)2 -] [37], a carbonization yield of 17.52 wt.% was observed. The carbon materials synthesized here presented high mechanical strength with a slight change during reaction process, which was stable at about \u223c91 %. All prepared carriers were carefully ground to pass through a 120 mesh before use.\n\nSAC synthesis: The reference Pd/NC700-TA catalyst was prepared in a similar way to Pd/NC800-TA, but using NC700 as the support material."
+ },
+ {
+ "id": 355,
+ "sac_id": "Atom: Pd\nSupport Material: AC\nSynthesis Method: Solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: AC\n\n",
+ "predicted": "Precursor synthesis: 60 mg of palladium(II) nitrate (Wako, 98.0%) was dissolved in 15 mL of water. 1 g of activated carbon (Shanghai Sincere Chemical Co., Ltd., 20 A, MK-III) was added to the solution and stirred for 3 h at room temperature. The solution was then dried at 70 \u00b0C overnight. The obtained powder was calcined under a N2 flow at 400 \u00b0C for 2 h with a heating rate of 5 \u00b0C/min. Finally, the powder was reduced by H2 at 350 \u00b0C for 2 h. The resulting sample is denoted as Pd/AC.\n\nCharacterization: The crystalline structure of the catalysts was determined by XRD analysis using a Rigaku D/Max-Ultima IV diffractometer with Cu K\u03b1 radiation. The morphology of the samples was observed by field emission scanning electron microscopy (FESEM) using a Hitachi SU8230 microscope operated at an accelerating voltage of 30 kV. Transmission electron microscopy (TEM) images were acquired using a JEOL JEM-2100F microscope operating at an accelerating voltage of 200 kV. Energy-dispersive X-ray spectroscopy (EDX) analyses were performed using an EDAX Alpha energy dispersive spectrometer operated together with the TEM. X-ray photoelectron spectroscopy (XPS) measurements were conducted on a Thermo VG Scientek ESCALAB 250 Xi spectrometer using Al K\u03b1 radiation. Fourier transform infrared (FTIR) spectra were recorded using a Nicolet iS10 FT-IR spectrometer equipped with a diamond ATR. The CO adsorption-desorption experiments were carried out using a Micromass Autosampler 7780 CO probe connected to a BELSORP-mini X microbalance. The catalysts (20 mg) were pretreated in situ at 350 \u00b0C for 1 h under a flow of H2, followed by cooling to room temperature in N2. The catalyst was then pressurized to 1 bar with CO, and the CO uptake was measured after 30 min equilibration. The CO amount was calculated based on the weight change of the catalyst. The CO adsorption-desorption experiments were repeated three times, and the average values are reported.",
+ "ground_truth": "Precursor synthesis: Ionic liquids (ILs) 1-ethyl-3-methylimidazolium-bis (trifluoromethylsulfonyl) imide [EMIM + -NTf2 -] and 1-ethyl-3-methylimidazolium dicyanamide [EMIM + -N(CN)2 -], (Lanzhou Greenchem. ILS, LICP. CAS., Fig. 1) were mixed together at 50 \u00b0C in an aqueous solution of ethanol at a molar ratio of 5:1 [EMIM + -NTf2 -]: [EMIM + -N (CN)2 -]. The obtained binary IL-mixture was carbonized at 700 \u00b0C under nitrogen (N2) atmosphere to synthesize carriers named NC700, followed by the preparation of Pd/NC700 catalysts using a wet impregnation method as previously reported [34-36]. Because of the [N(CN)2 -] nitrile-containing anions in [EMIM + -N(CN)2 -] [37], a carbonization yield of 17.52 wt.% was observed. The carbon materials synthesized here presented high mechanical strength with a slight change during reaction process, which was stable at about \u223c91 %. All prepared carriers were carefully ground to pass through a 120 mesh before use.\n\nSAC synthesis: The reference Pd/NC700-TA catalyst was prepared in a similar way to Pd/NC800-TA, but using NC700 as the support material."
+ },
+ {
+ "id": 356,
+ "sac_id": "Atom: Pd\nSupport Material: NC600-TA\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: NC600-TA\n\n",
+ "predicted": "Precursor synthesis: The palladium precursor used is bis(\u03bc-acetate)dipalladium (Pd(OAc)2).\n\nSLD-WAXS synthesis: SLD-WAXS measurements were performed at beamline 11.0.2 of the Advanced Photon Source, Argonne National Laboratory, using a photon energy of E = 19 keV and a beam size of about 30 \u00d7 50 \u03bcm\u00b2. The scattering vector q was analyzed by grazing incidence using a direct exposure method in the range of 0.04 -2.7 \u00c5\u207b\u00b9. The sample was exposed to the X-ray beam at an angle of \u03b1 = 0.2\u00b0 with respect to the surface normal. A MarCCD 2000 detector was set to 88.8 mm from the sample surface to record the diffraction pattern in a window of 11.2 \u00d7 7.4 mm\u00b2. The background was subtracted from raw data using the software BSG background subtraction algorithm (BSG Inc.). The one-dimensional radial average of the two-dimensional diffraction patterns was calculated using FIT2D program (University of Oxford).",
+ "ground_truth": "Precursor synthesis: Ionic liquids (ILs) 1-ethyl-3-methylimidazolium-bis (trifluoromethylsulfonyl) imide [EMIM + -NTf2 -] and 1-ethyl-3-methylimidazolium dicyanamide [EMIM + -N(CN)2 -], (Lanzhou Greenchem. ILS, LICP. CAS., Fig. 1) were mixed together at 50 \u00b0C in an aqueous solution of ethanol at a molar ratio of 5:1 [EMIM + -NTf2 -]: [EMIM + -N (CN)2 -]. The obtained binary IL-mixture was carbonized at 700 \u00b0C under nitrogen (N2) atmosphere to synthesize carriers named NC700, followed by the preparation of Pd/NC700 catalysts using a wet impregnation method as previously reported [34-36]. Because of the [N(CN)2 -] nitrile-containing anions in [EMIM + -N(CN)2 -] [37], a carbonization yield of 17.52 wt.% was observed. The carbon materials synthesized here presented high mechanical strength with a slight change during reaction process, which was stable at about \u223c91 %. All prepared carriers were carefully ground to pass through a 120 mesh before use.\n\nSAC synthesis: The reference Pd/NC700-TA catalyst was prepared in a similar way to Pd/NC800-TA, but using NC700 as the support material."
+ },
+ {
+ "id": 357,
+ "sac_id": "Atom: Pd\nSupport Material: NC700-TA\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: NC700-TA\n\n",
+ "predicted": "Precursor synthesis: The palladium precursor used is Pd(acac)2.\nSynthesis: The supported palladium catalyst was prepared by impregnating the NC700-TA support with a solution of Pd(acac)2 in acetone. The resulting solid was dried under vacuum at 353 K overnight and then reduced in flowing hydrogen at 400 \u00b0C for 1 h.",
+ "ground_truth": "Precursor synthesis: Ionic liquids (ILs) 1-ethyl-3-methylimidazolium-bis (trifluoromethylsulfonyl) imide [EMIM + -NTf2 -] and 1-ethyl-3-methylimidazolium dicyanamide [EMIM + -N(CN)2 -], (Lanzhou Greenchem. ILS, LICP. CAS., Fig. 1) were mixed together at 50 \u00b0C in an aqueous solution of ethanol at a molar ratio of 5:1 [EMIM + -NTf2 -]: [EMIM + -N (CN)2 -]. The obtained binary IL-mixture was carbonized at 700 \u00b0C under nitrogen (N2) atmosphere to synthesize carriers named NC700, followed by the preparation of Pd/NC700 catalysts using a wet impregnation method as previously reported [34-36]. Because of the [N(CN)2 -] nitrile-containing anions in [EMIM + -N(CN)2 -] [37], a carbonization yield of 17.52 wt.% was observed. The carbon materials synthesized here presented high mechanical strength with a slight change during reaction process, which was stable at about \u223c91 %. All prepared carriers were carefully ground to pass through a 120 mesh before use.\n\nSAC synthesis: The reference Pd/NC700-TA catalyst was prepared in a similar way to Pd/NC800-TA, but using NC700 as the support material."
+ }
+ ],
+ "Insights-into-the-role-of-active-site-density-in-the-fuel-cell-performance-of-Co-N-C-catalysts": [
+ {
+ "id": 358,
+ "sac_id": "Atom: Co\nSupport Material: Carbon (C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Carbon (C)\n\n",
+ "predicted": "Precursor synthesis: 0.48 g cobalt nitrate and 1.52 g urea were dispersed in 30 mL deionized water, stirred at room temperature until completely dissolved, then heated to 60 \u00b0C and evaporated to dryness. The obtained solid was ground with a mortar and then transferred into an alumina crucible. It was pre-annealed at 700 \u00b0C for 2 h at a heating rate of 2 \u00b0C/min under an Ar flow of 100 sccm.\n\nSynthesis of C-Co: 0.48 g cobalt nitrate and 1.52 g urea were dispersed in 30 mL deionized water, stirred at room temperature until completely dissolved, then heated to 60 \u00b0C and evaporated to dryness. The obtained solid was ground with a mortar and then transferred into an alumina crucible. It was pyrolyzed at 900 \u00b0C for 1 h at a heating rate of 5 \u00b0C/min under an Ar flow of 100 sccm. After cooling down to room temperature, the product was etched by 1 M HCl solution for 24 h to remove impurities, then filtered and rinsed with deionized water and dried in vacuum.",
+ "ground_truth": "Precursor synthesis: A mixture of 2-methylimidazole (980 mg, Sigma-Aldrich) and ZnO (410 mg, Sigma-Aldrich) was grinded for 10 min, sealed in an autoclave under Ar atmosphere, and heated at 220 \u00b0C for 18 h to obtain ZIF-8. The obtained ZIF-8 was mixed with 1, 10-phenanthroline (\u2265 99%, Aldrich) and cobalt acetate (CoAc, 95%, Aldrich) in a mixture of ethanol and deionized (DI) water (ethanol/water volume ratio = 1/2) with CoAc/phen/ZIF8 wt ratio = 0.4/19.6/80, and stirred at 60 \u00b0C for 12 h and then dried at 80 \u00b0C overnight. SAC synthesis: The powder was subsequently ball-milled for 3 h under 300 rpm in a 50 cm\u00b3 Teflon jar with agate balls (diameter 5 mm). The weight ratio of powder to balls is 1:20. Finally, the Co-N-C catalyst was obtained by annealing the ball-milled mixture at 1000 \u00b0C in Ar atmosphere for 180 min with a heating rate of 5 \u00b0C/min from room temperature. During the cooling, the tube furnace temperature was kept at 800 \u00b0C for 8 min and meanwhile the filling gas was switched from Ar to NH3 at 800 \u00b0C. The obtained product was denoted as 0.4%CoNC-ArNH3. The 0.4% represented CoAc weight ratio in the precursor."
+ }
+ ],
+ "Construction-of-atomically-dispersed-Cu-N4-sites-via-engineered-coordination-environment-for-high-efficient-CO2-electroreduction": [
+ {
+ "id": 359,
+ "sac_id": "Atom: Cu\nSupport Material: 3D porous carbon matrix\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: 3D porous carbon matrix\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, Zn(NO3)2\u00b76H2O (1.069 g, 4 mmol) and Cu(CH3COO)2\u00b7H2O (1.857 g, 8 mmol) were dissolved in 40 mL of methanol to form a homogeneous solution, which was subsequently added into 40 mL of methanol containing 80 mmol of 2-methylimidazole (196 mg, 2.4 mmol). After stirring at room temperature for 12 h, the resultant precipitate was collected by centrifugation, washed thrice with methanol, and finally dried at 80 \u00b0C overnight.\nSynthesis: The powder of ZnCu-ZIF was placed in a tube furnace and heated to 900 \u00b0C at a rate of 3 \u00b0C min-1 for 3 h in an Ar atmosphere, followed by natural cooling to room temperature. After being leached at 80 \u00b0C in 2 M HCl for 24 h and thoroughly washed with deionized water, the sample was dried at 80 \u00b0C overnight under vacuum.\nElectrochemical measurements: A three-electrode system was used for electrochemical measurements, where 2 mg of the catalyst was uniformly dispersed in 0.5 mL of deionized water, then spread onto a glassy carbon electrode (GCE, 3 mm diameter), and dried. The prepared electrode was used as the working electrode, a Ag/AgCl electrode (saturated KCl solution) served as the reference electrode, and a CHI 660E electrochemical workstation was employed. Cyclic voltammetry (CV) was performed from 0.1 to -0.5 V vs. reversible hydrogen electrode (RHE), and linear sweep voltammetry (LSV) was conducted from 0.1 to 0.6 V vs. RHE with a scan rate of 5 mV s-1. E electrochemically corrected potential was calculated using E = ERHE + i mF /nF, where i is the current (A), m is the number of electrons transferred, F is Faraday's constant (9648 C mol-1), n is the number of electrons involved in the electrochemical reaction, and ERHE is the potential of RHE reversible hydrogen electrode. The kinetic parameters of the catalysts were evaluated by Tafel analysis, where the Tafel slope (m) was obtained from LSV curves according to the equation \u03b7 = a + bm, where a and b are constants.",
+ "ground_truth": "Precursor synthesis: A mixture of Zn(NO3)2\u00b76H2O (11.9 g) and Cu (OAc)2\u00b7H2O (798.6 mg) was dissolved in methanol (300 mL) under vigorous stirring for 10 min and ultrasound for 5 min. The mixture was subsequently added into methanol (150 mL) solution in which 2-MeIM (13.14 g) was dissolved. After stirring for 15 min, the mixture was kept at room temperature without agitating for 12 h. Next, the Cu/Zn-ZIF nanoparticles (NPs) were collected by centrifugation (9000 rpm, 7 min) and thoroughly washed with DMF and methanol for three times, and dried at 60 \u00b0C under vacuum overnight.\nSAC synthesis: Catalysts marked as Cu-N x -C/ T ( x and T denote Cu-N coordination number and calcination temperature, respectively) were obtained through pyrolysis in the tube furnace and heated under certain temperature (800, 900, 1000, 1100 \u00b0C) for 3 h at a heating rate of 5 \u00b0C min -1 under Ar atmosphere."
+ }
+ ],
+ "Metal-organic-layers-as-a-platform-for-developing-single-atom-catalysts-for-photochemical-CO2-reduction": [
+ {
+ "id": 360,
+ "sac_id": "Atom: Co\nSupport Material: g-C3N4\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: g-C3N4\n\n",
+ "predicted": "Precursor synthesis: The g-C3N4 was prepared by heating urea at 550 \u00b0C (ramp rate, 5 \u00b0C min-1) for 2 h in a closed crucible covered with alumina.\nSodium bromate (NaBrO3) solution (0.05 M, 10 mL) was dropped into the suspensions (g-C3N4, 0.05 g L-1) and stirred for 6 h at room temperature. The products were then centrifuged, washed with deionized water three times, and dried at 60 \u00b0C overnight. The as-prepared samples were denoted as C3N4-X, where X represents the molarity of NaBrO3.\n|improved_diffusion_agent_synthesis: None provided|>|user|>|improved_diffusion_agent_synthesis: None provided",
+ "ground_truth": "Precursor synthesis: 30 mg of bulky Co-MOF was dispersed in 15 mL DMSO and ultrasonicated for 10 h, a pink clear solution was obtained. The solution was concentrated at 100 \u00b0C. Pink powder was formed and collected. The powder was washed with methanol for five times and dried in a vacuum oven at 60 \u00b0C.\nSAC synthesis: 5 g urea and Co-MOLs (30 mg) were mixed uniformly in a covered crucible, and then heated at 550 \u00b0C for 4 h under air. The obtained powder was washed by deionized water and ethanol, and then dried in a vacuum oven at 60 \u00b0C for 24 h."
+ }
+ ],
+ "A-palladium-single-atom-catalyst-toward-efficient-activation-of-molecular-oxygen-for-cinnamyl-alcohol-oxidation": [
+ {
+ "id": 361,
+ "sac_id": "Atom: Pd\nSupport Material: Al2O3\nSynthesis Method: High temperature\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: Al2O3\n\n",
+ "predicted": "Precursor synthesis: The Pd(acac)2 precursor (Palladium(II) 2,4-hexanedionate) was obtained from Aldrich and used as received without further purification.\n\nPDMS Synthesis: Polydimethylsiloxane (PDMS) was synthesized by the hydrolysis of dimethyldichlorosilane (Aldrich, >99%) in ethanol (Macron Fine Chemicals, 99.5%). HCl catalyst (Aldrich, 37%) was added to the reaction mixture in a weight ratio of 0.1 wt.% relative to the silane. After 24 hours of stirring at room temperature, the volatile components were removed under reduced pressure. The nonpolar silicone elastomer was then obtained after thermal annealing at 80 \u00b0C for 24 hours.\n\nPDMS-b-PS Synthesis: PDMS-block-polystyrene (PDMS-b-PS) block copolymers were synthesized via anionic polymerization using standard techniques. The PDMS macroinitiator was functionalized with TBDMS chloride in the presence of tin(IV) chloride catalyst. The resulting TBDMS-functionalized PDMS macroinitiator was then used to grow PS by living anionic polymerization. After deprotection, double-functionalized PS-based block copolymers were obtained.\n\nPS Synthesis: Polystyrene (PS) was synthesized via the free radical polymerization of styrene monomer (Aldrich, 99.5%) in the presence of azobisisobutyronitrile (AIBN, Acros Organics, 98%) as initiator. Styrene monomer was purified by storage over activated alumina.\n\nAl2O3 Synthesis: Commercial \u03b1-alumina powder (Sigma-Aldrich, 99.9% purity) was used as received without further purification.\n\nDeposition of Pd Nanoparticles on Al2O3: Pd nanoparticles were deposited on commercial \u03b1-alumina powder (Sigma-Aldrich, 99.9% purity) by ALD using a Roth & Reiher AL-1X reactor. Trimethyl(methylcyclopentadienyl)-palladium (Pd(mcpptm)) was used as the Pd precursor. O3 generated from an ozone generator (Ozonetech 600E) was used as the oxidant. The substrate temperature was kept constant at 250 \u00b0C during the ALD process. The Pd ALD cycle consisted of two separate steps: (i) one pulse of Pd(mcpptm), followed by (ii) one pulse of O3. Each step was followed by a purge with high purity N2 (99.999% from Air Liquide S.A.) for 5 seconds. The number of cycles was varied between 1 and 100 to control the amount of Pd deposited on the substrate.\n\nALD of Al2O3 on Pd-Al2O3: Al2O3 was grown on the Pd-Al2O3 substrates by ALD using trimethylalanine (TMA) as the Al precursor and H2O as the oxidant. The deposition temperature was set to 250 \u00b0C. One cycle consisted of the following steps: (i) pulsing TMA for 0.5 s, (ii) exposure time of 1000 s, (iii) pulsing H2O for 0.5 s, and (iv) exposure time of 1000 s. Each step was followed by a purge with high purity N2 (99.999% from Air Liquide S.A.) for 5 seconds.",
+ "ground_truth": "In this work, atomic and nano-dispersed Pd catalysts (labeled as Pd1/Al2O3 and Pd/Al2O3) were facilely prepared with the same loading amount (0.5 wt%) of Pd anchored onto an Al2O3 support rich in penta-coordinate Al 3+ (Al 3+ penta) centers."
+ }
+ ],
+ "Insights-into-formation-of-Pt-species-in-Pt-CeO2-catalysts:-Effect-of-treatment-conditions-and-metal-support-interaction": [
+ {
+ "id": 362,
+ "sac_id": "Atom: Pt\nSupport Material: CeO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: CeO2\n\n",
+ "predicted": "Precursor synthesis: The Pt/CeO2 catalysts were prepared by incipient wetness impregnation using chloroplatinic acid as the Pt precursor. After impregnation, the samples were dried at 100 \u00b0C for 12 h. The Pt loadings of all the samples were adjusted to 1.0 wt.%.\n\nCatalytic evaluation: The CO oxidation activities of the prepared catalysts were evaluated under the same conditions as described above. The CO conversion was measured and calculated based on the concentration difference between the inlet (0%) and outlet (1%) of the reactor.",
+ "ground_truth": "CeO2 support was prepared by simple thermal decomposition of Ce(NO3)3 \u00b7 6H2O at 500 \u00b7 C for 5 h. The series of Pt/CeO2 catalysts (Pt loading of 0.5, 1.0, and 2.0 wt.%) were prepared by wetness impregnation using H2PtCl6 aqueous solution as a Pt precursor. The impregnated samples were dried at 120 \u00b7 C and calcined in air at temperatures of 300 and 500 \u00b7 C followed by the reduction with hydrogen at 300 \u00b7 C."
+ }
+ ],
+ "Improving-PMS-oxidation-of-organic-pollutants-by-single-cobalt-atom-catalyst-through-hybrid-radical-and-non-radical-pathways": [
+ {
+ "id": 363,
+ "sac_id": "Atom: Co\nSupport Material: N-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: N-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: Zn(NO3)2\u00b76H2O (5.58 g) was dissolved in 150 mL methanol as solution A. 2-methylimidazole (6.16 g) was dissolved in 150 mL methanol as solution B. Solution B was added dropwise to solution A with vigorous stirring at room temperature for 24 h. The precipitate was collected by centrifugation and washed with methanol three times. The product was then dried in a vacuum oven at 60 \u00b0C overnight. ZIF-8 powder was placed in a tube furnace and heated to 900 \u00b0C with a heating rate of 5 \u00b0C min^-1 and kept for 3 h under flowing Ar gas. The obtained black powder was ground to a fine powder and used as the cathode material of a solid-state supercapacitor. The specific capacity of ZIF-8@C is 171.4 mAh g^-1.\nSupercapacitor electrode synthesis: Typically, 80 mg ZIF-8@C, 20 mg Super P, and 20 mg pristine graphene were mixed with NMP solvent and sonicated for 30 min to form a slurry. The slurry was coated onto a polyethylene terephthalate (PET) film by doctor blade method with an active mass loading of 1 mg cm^-2. The wet film was transferred into a vacuum oven at 60 \u00b0C for further drying. The freestanding electrode film was cut into desired size and used as working electrode to assemble a CR2032 coin cell with a celgard 2400 separator and 0.5 M KCl electrolyte.",
+ "ground_truth": "Precursor synthesis: Cobalt Acetate Tetrahydrate (Co(CH3COO)2\u00b74H2O), 1,10-Phenanthroline Monohydrate (C12H8N2\u00b7H2O), and Magnesium Oxide (MgO) are commercially available reagents.\nSAC synthesis: The single Co-atom catalyst (Co-N-C) was synthesized with a modified template-etching method [22,24]. Firstly, 0.6 mmol of Co (CH3COO)2\u00b74H2O and 1.8 mmol of C12H8N2\u00b7H2O were added into 60 mL ethanol and sonicated for 10 min. Secondly, 3 g of MgO was further added and sonicated for another 15 min. Then the mixture was sealed and magnetically stirred at 60 \u00b0C (water bath) overnight. After complete evaporation of ethanol, the dried solid was ground into a powder and heated in a tube oven. The oven was flushed with N2 for 30 min at room temperature, after which the temperature was ramped to 700 \u00b0C at the rate of 2 \u00b0C min -1 and kept for 2 h. The product was stirred in 1 M of H2SO4 for 4 h to leach the template MgO and any possible metal or oxide. The acid leaching was repeated for 3 times. After washing with ultrapure water for 5 times, the solid was dried at 60 \u00b0C overnight."
+ }
+ ],
+ "Single-site-Pt-La-Al2O3-stabilized-by-barium-as-an-active-and-stable-catalyst-in-purifying-CO-and-C3H6-emissions": [
+ {
+ "id": 364,
+ "sac_id": "Atom: Pt\nSupport Material: La-Al2O3 (5% La-stabilized \u03b3-Al2O3)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: La-Al2O3 (5% La-stabilized \u03b3-Al2O3)\n\n",
+ "predicted": "Precursor synthesis: The aqueous solutions of platinum and lanthanum nitrates were first prepared by dissolving the appropriate amount of Pt(NO3)2\u00b72H2O and La(NO3)3\u00b76H2O in deionized water.\n\nSupported Pt precursor preparation: A series of Pt/La-Al2O3 catalysts with different Pt loadings were prepared via a simple impregnation method. In this procedure, an aqueous solution containing a certain amount of Pt and La nitrates was dropped into La-Al2O3 support (5% La-stabilized \u03b3-Al2O3). After stirring for 1 h at room temperature, the obtained samples were dried at 80 \u00b0C overnight and then calcined in a muffle furnace at 400 \u00b0C for 4 h.\n\nCatalyst characterization: The Pt contents on all catalysts were measured by inductively coupled plasma atomic emission spectroscopy (ICP-AES; OPTIMA 2100DV, PerkinElmer). XRD measurements were performed using a Rigaku D/Max Ultima III diffractometer equipped with a Cu K\u03b1 radiation source (wavelength \u03bb = 0.154 nm). The TEM images were taken using a JEOL JEM-2100F transmission electron microscope operating at 200 kV. STEM observations were carried out using a JEOL Atom Probe Microscope (APM) operated at a sample voltage of 97 KV and a steady state current of 100 pA. EELS data acquisition was done using a Gatan Enhanced Aberration Corrected STEM (AC STEM) operating at 200 kV. Raman spectra were recorded using a Renishaw inVia Raman Spectrometer with a laser wavelength of 532 nm.",
+ "ground_truth": "Precursor synthesis: Barium nitrate was adopted as the additive precursors. Chloroplatinic acid was used for Pt impregnation. Cerium nitrate was used for the synthesis of 1.2Pt-Ce/La-Al2O3 (Pt:Ce atomic ratio = 1:10).\nSAC synthesis: The commercial La-Al2O3 support (5% La-stabilized \u03b3-Al2O3, SOLVAY Rhodia) was used after calcination at 400 \u00b0C for 10 h in flowing air. The barium-stabilized Pt-Ba/La-Al2O3 samples were prepared by sequential incipient wetness impregnations (IWI) of chloroplatinic acid and barium nitrate with an interval vacuum drying process at room temperature (RT) for 12 h. These impregnated powders were dried in vacuum at 70 \u00b0C overnight, and then transferred to a furnace to calcine in flowing air at 550 \u00b0C for 2 h (heating rate 1 \u00b0C/min) to obtain what we denote as 'fresh' catalysts. The conventional baseline Pt/La-Al2O3 catalysts were prepared by IWI, using the same parameters but without adding alkaline earth additives. The 1.2Pt-Ce/La-Al2O3 catalyst was synthesized by the same approach as that for the Pt-Ba/La-Al2O3 catalysts. The Pt-free materials comprising the barium additives were prepared by IWI onto La-Al2O3. X-ray fluorescence (XRF) analysis confirmed the full removal of -Cl residuals after the calcination at 550 \u00b0C. The hydrothermally aged samples were obtained by treating the catalysts in flowing air with 10% steam at 650 \u00b0C for 2 h (ramping rate: 10 \u00b0C/min)."
+ }
+ ],
+ "Peroxydisulfate-activation-by-atomically-dispersed-Fe-Nx-on-N-doped-carbon:-Mechanism-of-singlet-oxygen-evolution-for-nonradical-degradation-of-aqueous-contaminants": [
+ {
+ "id": 365,
+ "sac_id": "Atom: Fe\nSupport Material: Nitrogen-doped carbon (N-C) derived from ZIF-8\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Nitrogen-doped carbon (N-C) derived from ZIF-8\n\n",
+ "predicted": "Precursor synthesis: The fabrication process of ZIF-8 was similar to that of Pd@ZIF-8-S, except for the use of 2-methylimidazole as a linker.\n\nSacrificial template removal: The as-prepared ZIF-8 powders were dispersed in 1 M HCl solution and stirred at room temperature for 24 h. The products were collected by centrifugation and then washed with deionized water for several times until neutral. After drying at 60 \u00b0C overnight, nitrogen-doped carbon (N-C) was obtained.\n\nAtom transfer: 50 mg N-C, 20 mL ethanol, and desired metal salts were mixed and ground to form a paste. The mixture was sonicated for 30 min, followed by rotary evaporation to remove ethanol. The remaining solid was transferred into a tube furnace and pyrolyzed at 900 \u00b0C for 2 h under Ar atmosphere to yield Fe-SACs.",
+ "ground_truth": "Precursor synthesis: Iron phthalocyanine doped ZIF-8 (FePc@ZIF-8) was prepared using a solution-phase approach with a slight modification [30,32]. Typically, 3.672 g of Zn(NO3)2 \u00b7 6H2O was dissolved in 250 mL MeOH, while 4.053 g of 2-methylimidazole was dissolved in 250 mL MeOH with \u00d7 mg of FePc (x = 25, 50, 75, 100, 125, respectively). After stirring for 10 min, the two solutions were mixed and aged for 24 h. Then the as-obtained product was collected through centrifugation and washed with methanol for several times, and finally dried in vacuum at room temperature overnight. The obtained materials were marked as FePC-x@ZIF-8.\nSAC synthesis: The FePc-x@ZIF-8 powders were heated at 900 \u00b7 C for 3 h under Ar flow. Then, the pyrolyzed materials were further treated with 0.5 M H2SO4 for 12 h to remove unstable iron species synthesized in the thermal treatment. The materials were then washed with ultrapure water and dried overnight. The obtained materials were marked as SAFe-x-N-C (x = 25, 50, 75, 100, 125, respectively)."
+ }
+ ],
+ "Nature-of-stable-single-atom-Pt-catalysts-dispersed-on-anatase-TiO2": [
+ {
+ "id": 366,
+ "sac_id": "Atom: Pt\nSupport Material: Anatase TiO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Anatase TiO2\n\n",
+ "predicted": "Precursor synthesis: The anatase phase of TiO2 was prepared by the method reported in the literature. [34] In a typical procedure, 10 mL H2O and 5 mL HCl (36-38 wt.%) were introduced into a 50 mL three-necked flask and stirred magnetically at room temperature. Then, 0.79 mL TiCl4 was added to the above solution under vigorous stirring for 1 h. After that, the Schlenk line was filled with Ar gas, and the system was transferred to a water bath at 40 \u00b0C for 1 h. Next, the system was heated to 100 \u00b0C for 1 h while stirring continuously. Finally, the system was cooled down to room temperature naturally after 1 h. The resulting precipitate was collected by centrifugation, thoroughly washed with deionized water until the supernatant became neutral, and dried at 60 \u00b0C overnight. The obtained powder was calcined at 400 \u00b0C for 2 h with a ramp rate of 5 \u00b0C min-1 under air conditions.\n\nPhotocatalyst Synthesis: Pt/TiO2 photocatalysts were prepared by the method reported in the literature. [35] Briefly, 0.2 g anatase TiO2 was dispersed in 20 mL deionized water. Then, 2 mL NaOH (0.1 mol L-1) solution was dropped into the above solution under magnetic stirring for 1 h. Subsequently, 0.2 mL H2PtCl6\u00b76H2O (10 mg mL-1) solution was added to the above solution under vigorous stirring for 2 h. After that, the system was centrifuged and thoroughly washed with deionized water until the supernatant became neutral. Finally, the resulting sample was dried at 60 \u00b0C overnight and calcined at 200 \u00b0C for 2 h with a ramp rate of 5 \u00b0C min-1 under air conditions. The obtained powder was denoted as Pt/TiO2.",
+ "ground_truth": "Precursor synthesis: The catalysts were synthesized using Pt(NH3)4(NO3)2 as the precursor. All catalysts were calcined in a tube furnace at 450 /C176 C for 4 h in flowing air to ensure removal of all amine and nitrate ligands from the Pt(NH3)4(NO3)2 precursor.\nSAC synthesis: The synthesis of catalysts containing exclusively Ptiso species was achieved as previously described, which utilized low weight loadings of Pt coupled with highly basic solution conditions to promote high dispersion, stemming from strong electrostatic adsorption of cationic Pt precursors to the support [20]."
+ }
+ ],
+ "Preparation-and-evaluation-of-iron-nanoparticles-embedded-CNTs-grown-on-ZSM-5-as-catalysts-for-NO-decomposition": [
+ {
+ "id": 367,
+ "sac_id": "Atom: Fe\nSupport Material: ZSM-5 zeolite\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: ZSM-5 zeolite\n\n",
+ "predicted": "Precursor synthesis: Iron(III) nitrate nonahydrate (Fe(NO3)3\u00b79H2O, > 98.0%, Sigma Aldrich)\nSodium carbonate (CO(NH2)2)\nZSM-5 (SiO2/Al2O3 = 40)\nNafion\u2122 ion conductive membrane\n\nElectrochemical cell configuration: Single-cell with Nafion\u2122 117 membrane as the proton conducting medium and Pt electrodes as both anode and cathode.\n\nAnodic half-cell operation conditions: Constant current density of 20 mA cm\u22122 for 60 min.\nCathodic half-cell operation conditions: Potential cycled between 1.2 V RHE and 1.8 V RHE at 0.05 V s\u22121.",
+ "ground_truth": "Precursor synthesis: Ferric nitrate (Fe(NO3)3\u00b79H2O) and melamine (C3H6N6) were used as received from Sinopharm Chemical Reagent, China. ZSM-5 zeolite of the proton type with a Si/Al ratio of 300 was obtained from Nankai University Catalyst Plant, Tianjin, China.\nSAC synthesis: In a typical catalyst preparation procedure, 3.6 g ferric nitrate (analytical grade Fe(NO3)3\u00b79H2O, Sinopharm Chemical Reagent, China) and 12.5 g melamine (analytical grade C3H6N6, Sinopharm Chemical Reagent, China), which gives a molar ratio of the Fe salt to melamine of 1:10, and 5 g ZSM-5 of the proton type with a Si/Al ratio of 300 (Nankai University Catalyst Plant, Tianjin, China) were dispersed into 30 mL deionized water. The slurry was then heated to 55 \u00b0C and continuously subject to ultrasonic treatment for 2 h. The resultant homogeneous paste was dried in an air oven at 105 \u00b0C for 12 h. The dried solid was ground to a powder form and placed in a boat-shaped porcelain crucible, heated from room temperature at 5 \u00b0C/min to 900 \u00b0C for calcination in N2 for 3 h, during which the melamine and iron salts were decomposed to form carbon nanotubes and Fe 0 nanoparticles. The resulting catalyst sample was denoted as Fe/Mel-10@ZSM-5."
+ }
+ ],
+ "Boosting-oxygen-reduction-catalysis-with-abundant-single-atom-tin-active-sites-in-zinc-air-battery": [
+ {
+ "id": 368,
+ "sac_id": "Atom: Sn\nSupport Material: Nitrogen-doped Carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Sn\nSupport Material: Nitrogen-doped Carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,3,5-Tris(4-aminophenyl)benzene (TAPB) and ammonium chloride (NH4Cl) were used as precursors.\nSynthesis of N-C: The synthesis procedure for N-C is the same as that for g-C3N4@N-C, except that the pyrolysis temperature was changed to 800 \u00b0C.\nSynthesis of g-C3N4@N-C: A typical procedure for the preparation of g-C3N4@N-C is as follows: In a conventional tube furnace, 2.0 g TAPB and 16.0 g NH4Cl (as-prepared) were placed in an alumina boat with the former upstream. First, the mixture was heated from room temperature to 550 \u00b0C at a rate of 2 \u00b0C min-1 and kept at this temperature for 2 h to obtain intermediate I. Then, the temperature was further increased to 800 \u00b0C at a rate of 2 \u00b0C min-1 and maintained at this temperature for another 2 h. Finally, the sample was cooled down to room temperature in still air. Afterward, the obtained powder was soaked in 4.0 M H2SO4 at 80 \u00b0C for 12 h and then subjected to a high-temperature washing at 800 \u00b0C for 1 h. Subsequently, after washing with deionized water several times until the pH value became neutral, the powder was finally dried in vacuum at 60 \u00b0C overnight.\n\nSynthesis of g-C3N4-NH2@N-C: Similar to the synthesis of g-C3N4@N-C, g-C3N4-NH2@N-C was prepared by using g-C3N4-NH2 as the carbon source.",
+ "ground_truth": "Precursor synthesis: 1 g D-glucosamine hydrochloride, 0, 0.5, 1, or 2 mmol SnCl2 \u00b7 2H2O, and 1.028,8 g nano-SiO2 (with a diameter of about 20 nm) were co-dissolved in 10 mL deionized water. After stirring for 30 min, the derived solution was freeze-dried.\nSAC synthesis: The obtained powder was pyrolyzed under flowing argon with a ramping rate of 5 \u00b0C/min to the desired temperature 900 \u00b0C and kept for 2 h. Catalysts were obtained after the removal of templates by 2 M NaOH etching for 6 h at 80 \u00b0C, 0.5 M H2SO4 etching for 4 h at 80 \u00b0C and the following freeze-drying. Samples were denoted as SnX-N-C (X represents the molar mass of SnCl2 \u00b7 2H2O)."
+ }
+ ],
+ "Nitrogen-coordinated-single-Fe-sites-for-efficient-electrocatalytic-N2-fixation-in-neutral-media": [
+ {
+ "id": 369,
+ "sac_id": "Atom: Fe\nSupport Material: N-doped carbon frameworks (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: N-doped carbon frameworks (NC)\n\n",
+ "predicted": "Precursor synthesis: ZIF-8 was prepared according to the reported method with slight modifications. 50 mmol of 2-methylimidazole was dissolved in 50 mL methanol, which was subsequently added into 50 mL methanolic solution containing 0 mol and 1.5 mol of Fe(NO3)3\u00b79H2O. After stirring at room temperature for 6 h, the products were collected by centrifugation, washed with methanol three times, and finally dried at 70 \u00b0C under vacuum overnight. The Fe contents in Fe@ZIF-8 samples were calculated to be 4.4 wt% and 8.8 wt%, respectively, based on inductively coupled plasma atomic emission spectroscopy (ICP-AES).\n\nSynthesis of Fe/NC: A piece of Fe@ZIF-8 powder (200 mg) was transferred into a crucible and heated at 900 \u00b0C for 2 h with a ramp rate of 3 \u00b0C min-1 in a tube furnace filled with Ar gas. After cooling down to room temperature naturally, the black powder was collected and denoted as Fe/NC.\n\nAtom deployment and valence state analysis: X-ray photoelectron spectroscopy (XPS) measurements were carried out on an ESCALAB 250 Xi spectrometer using Al K\u03b1 radiation. Survey scan XPS spectra were recorded at a pass energy of 180 eV with a dwell time of 100 ms. High resolution XPS spectra were acquired at a pass energy of 50 eV with a dwell time of 200 ms. The Brunauer-Emmett-Teller (BET) specific surface areas of the samples were measured by N2 adsorption at -196 \u00b0C using a Micromeritics Tristar III 3020 automatic physisorption analyzer.",
+ "ground_truth": "Precursor synthesis: Bimetallic Fe/Zn zeolitic imidazolate frameworks (ZIF-8) were first prepared by a hydrothermal process (Fig. 1b and Fig. S1).\nSAC synthesis: The ISAS-Fe/NC catalyst was synthesized by a modified reported method [37], as illustrated in Fig. 1a[23,26]. Bimetallic Fe/Zn zeolitic imidazolate frameworks (ZIF-8) were first prepared by a hydrothermal process (Fig. 1b and Fig. S1) and were subsequently carbonized and etched to obtain ISAS-Fe/NC (Fig. 1c and Fig. S2)."
+ }
+ ],
+ "Supramolecular-confinement-of-single-Cu-atoms-in-hydrogel-frameworks-for-oxygen-reduction-electrocatalysis-with-high-atom-utilization": [
+ {
+ "id": 370,
+ "sac_id": "Atom: Cu\nSupport Material: 3D N-doped carbon framework (PPy-CuPcTs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: 3D N-doped carbon framework (PPy-CuPcTs)\n\n",
+ "predicted": "Precursor synthesis: Pyrrole monomer (20 mL), copper phthalocyanine tetrasulfonic acid (100 mg), and poly(styrene sulfonic acid) (5 mL) were added to a mixture of ethanol (80 mL) and deionized water (400 mL). The resulting solution was stirred at room temperature for 2 h. Then, ammonium persulfate solution (100 mL, 0.027 M) was added, and the solution was stirred for an additional 24 h. The product was collected by vacuum filtration.\n\nSacrificial template formation: The PPy-CuPcTs product obtained above was dispersed in a mixed solvent containing dimethylformamide (DMF, 60 mL) and deionized water (40 mL).\n\nElectrodeposition of SiO2: A SiO2 layer was formed on the surface of PPy-CuPcTs by electrodeposition using the PPy-CuPcTs/Si wafer as the working electrode, potassium silicate as the oxidant, and acetonitrile as the solvent. The electrodeposition was performed under a constant potential of +0.9 V versus SCE for 1 s.\n\nRemoval of sacrificial templates: The composite/Si wafer obtained after the SiO2 electrodeposition was immersed in HF solution (20 wt%) for 1 h to remove the sacrificial templates (Cu foil and APTS-modified Si wafer). Finally, the 3D P-CuNCs/PPy-CuPcTs network was obtained.",
+ "ground_truth": "Precursor synthesis: Preparation of PPy hydrogels with/without crosslinkers CuPcTs doped PPy hydrogels were prepared based on our previous report [17]. Generally, 42 l L (0.6 mmol) pyrrole (99%, Aldrich) was mixed with 0.5 mL isopropanol marked as solution A. Then, 0.137 g (0.6 mmol) mass of ammonium persulfate (Aldrich) and copper phthalocyanine-3, 4 0 ,4 00 ,4 000 -tetrasulfonic acid tetrasodium salt (CuPcTs, Aldrich) were dissolved in 2 mL de-ionized (DI) water labelled as solution B. The amount of CuPcTs was varied from 0.0075 to 0.03 mmol to obtain samples with different molar ratios of Cu and pyrrole. After cooled to 4 /C176 C, solution A and B were quickly mixed and then rested for 2 h for sufficient polymerization. To remove the excess ions, unreacted dopant, and by-products, CuPcTs doped polypyrrole hydrogels were further purified and washed by ethanol and DI water alternatively several times. As a comparison, PPy hydrogels without adding crosslinker were also prepared in a similar process, in which CuPcTs was absent in solution B.\nSAC synthesis: PPy-CuPcTs and PPy hydrogels were freeze-dried under reduced pressure. The dried hydrogels were ground into uniform powders and heated to 800 /C176 C with a rate of 10 /C176 C min /C0 1 in an argon flow, which were then kept at 800 /C176 C for 2 h. After cooling down to room temperature, samples were removed from the porcelain boat and directly used as catalysts for ORR without further acid leaching process. To clarify samples, PPy-CuPcTs SACs were labeled as PPy-CuPcTs (20:1), PPy-CuPcTs (40:1), and PPyCuPcTs (80:1), where the ratio shown in parentheses indicates the molar ratio of pyrrole and CuPcTs initially introduced into hydrogels. Unless specified otherwise, PPy-CuPcTs (40:1) was presented as PPy-CuPcTs. Besides, CuPcTs was also calcinated in the same condition, yielding CuPcTscal. served as a control sample."
+ }
+ ],
+ "Molten-salt-as-ultrastrong-polar-solvent-enables-the-most-straightforward-pyrolysis-towards-highly-efficient-and-stable-single-atom-electrocatalyst": [
+ {
+ "id": 371,
+ "sac_id": "Atom: Fe\nSupport Material: Nitrogen-doped carbon (N/C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Nitrogen-doped carbon (N/C)\n\n",
+ "predicted": "Precursor synthesis: 0.28 g of FeCl3\u00b76H2O and 1 g of L-ascorbic acid were dissolved in 5 mL of deionized water, followed by stirring for 4 h at room temperature. Then, 0.7 g of cyanuric acid was added to the above solution, which was stirred continuously for another 4 h. Subsequently, the obtained solution was transferred into a Teflon-lined autoclave and heated at 180 \u00b0C for 8 h. The product was collected by centrifugation and washed with deionized water three times. After drying at 60 \u00b0C overnight, porous Fe3(COO)2\u00b78H2O nanosheets were obtained.\nSynthesis of S-Fe-N/C: Typically, 0.1 g of as-prepared Fe3(COO)2\u00b78H2O nanosheets and 0.1 g of thiourea were mixed with 1.8 g of melamine by grinding in a mortar. The mixture was annealed at 600 \u00b0C for 2 h with a heating rate of 3 \u00b0C min -1 under flowing argon. After cooling to room temperature, the final product of S-Fe-N/C was obtained.",
+ "ground_truth": "Precursor synthesis: Iron (III) chloride hexahydrate (FeCl3\u00b76H2O) and 1-Butyl-3-methylimidazolium bromide (BMIM-Br) were purchased from Sinopharm Chemical Reagent Co., Ltd (Shanghai, China) and Shanghai Cheng Jie Chemical Co. LTD (Shanghai, China), respectively, and used as received without further purification.\nSAC synthesis: In a typical procedure, [Bmim] Br (1.00 g), FeCl3\u00b76H2O (100 mg), and KCl (0.65 g) and ZnCl2 (2.34 g) were stirred at room temperature for 20 min to form a uniform paste. After that, this paste was pyrolyzed under flowing N2 at 850 \u00b0C for 2 h and then naturally cooled to room temperature. Finally, the sample was further washed with ultrapure water several times, filtrated, and dried overnight in vacuum at 80 \u00b0C."
+ }
+ ],
+ "A-complex-sequestered-strategy-to-fabricate-Fe-single-atom-catalyst-for-efficient-oxygen-reduction-in-a-broad-pH-range": [
+ {
+ "id": 372,
+ "sac_id": "Atom: Fe\nSupport Material: Nitrogen-doped porous carbon (NPCs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Nitrogen-doped porous carbon (NPCs)\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanoguanidine (CDU) and boric acid were dissolved in ethanol. 2-methylimidazole was dissolved in methanol. Zn(NO3)2\u00b76H2O was dispersed in methanol.\nSPC synthesis: A clear SPC solution was prepared by mixing the CD/B solution with the 2-methylimidazole solution. The mixture was stirred at room temperature for 5 min. The Zn(NO3)2\u00b76H2O solution was added to the above solution and stirred for another 5 min at room temperature. The final mixed solution was transferred into a Teflon-lined stainless steel autoclave and kept at 120 \u00b0C for 24 h. The as-prepared samples were centrifuged and dried overnight at 60 \u00b0C in vacuum.\nNCPS formation: The SPC powder was put into a crucible and heated up to 800 \u00b0C at a rate of 2 \u00b0C/min for 2 h under an argon atmosphere. After cooling down to room temperature, the black powder was washed with a small amount of deionized water to remove any possible residual acid. Then the product was dried overnight at 60 \u00b0C in vacuum.",
+ "ground_truth": "Precursor synthesis: Iron(III) nitrate nonahydrate and urea are used as the precursors of iron and nitrogen, respectively. These three precursors (iron(III) nitrate nonahydrate, urea, and agarose) are mixed together with NaCl, which is often used as a template for porous structure during pyrolysis, to form a hydrogel called 'iron-agar'.\nSAC synthesis: Subsequently, freeze-drying was adopted to transform the iron-agar hydrogel into an iron-agar aerogel (IAA), which was then subjected to pyrolysis at 800 \u00b0C under N2 atmosphere to yield the designed catalyst of Fe SA/NPCs."
+ }
+ ],
+ "N8-stabilized-single-atom-Pd-for-highly-selective-hydrogenation-of-acetylene": [
+ {
+ "id": 373,
+ "sac_id": "Atom: Pd\nSupport Material: CNT (Carbon Nanotubes)\nSynthesis Method: Electrochemical\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: CNT (Carbon Nanotubes)\n\n",
+ "predicted": "Precursor synthesis: The Pd precursor used is H2PdCl4.\n\nSupport impregnated: The CNT support was impregnated with an aqueous solution of H2PdCl4 (1 g L /C0 1 ) and the resulting mixture was dried at 573 K (heating rate = 1 K min /C0 1 ) for 6 h in static air.\n\nReduction: This air-dried sample was reduced in flowing H2 (20 vol %) /Ar mixture at 823 K (heating rate = 10 K min /C0 1 ) for 30 min.",
+ "ground_truth": "Precursor synthesis: Round-shaped multiwalled carbon nanotubes (CNT, purchased from Nanolab) sheet was obtained following our previous work [28], Round-shaped 0.8%PdO/CNT sheet was prepared by the reported route [30], using Pd(NH3)4(NO3)2 (Strem 99%) as palladium source and roundshaped CNT sheet as support.\nSAC synthesis: To synthesize Pd1-N8/CNT catalysts, PdO/CNT sheet was used as the working electrode. CV was carried out using computer-controlled CH Instruments 832C in a three-electrode setup. The PdO/CNT sheet was dipped in 40 mL 0.52 M NaN3 (Aldrich) dissolved in a buffer solution (pH 4.0), which was used as the electrolyte. Pt and Ag/AgCl were used as the counter electrode and standard reference electrode, respectively. The CV scan rate was set to be 1 mV/s and the potential range was set to be between + 0.8 V and -0.8 V. The sample was scanned for 12 CV cycles and then dried overnight in the air. CV was also carried out on PdO/CNT sheet without NaN3 in the solution to clarify the oxidation peak from N3-. The samples were labeled as 0 M, Pd1-N8/CNT-0.5 M, Pd1-N8/CNT-1 M and Pd1-N8/CNT-2 M based on NaN3 concentration (Table S1). Two references samples were also synthesized. PdO/CNT sheet was dipped in the same kind of electrolyte (1 M NaN3 inside) without CV scanning and was denoted as 1 M*. The same CV was done with CNT sheet as working electrode and labeled as PN/CNT."
+ }
+ ],
+ "Isolated-Pt-single-atomic-sites-anchored-on-nanoporous-TiO2-film-for-highly-efficient-photocatalytic-degradation-of-low-concentration-toluene": [
+ {
+ "id": 374,
+ "sac_id": "Atom: Pt\nSupport Material: Nonporous TiO2 film\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Nonporous TiO2 film\n\n",
+ "predicted": "Precursor synthesis: A 10 mg amount of H2PtCl6 was dissolved in ethylene glycol and stirred for 3 h. The solution was then transferred to a Teflon-lined autoclave, where it was heated at 180 \u00b0C for 4 h. After cooling down to room temperature, the Pt precursor was obtained as white powders.\n\nPt deposition: The Pt deposition process is similar to the Ru deposition, using the same procedure but with H2PtCl6 precursor.",
+ "ground_truth": "Isolated Pt single atomic sites were anchored by a modified immersion and reduction method (Lang et al., 2016). Firstly, the nanoporous TiO2 film with a size of 40 mm \u00d7 120 mm was dipped into 0.1 M NaOH solution for 5 min. Then, the pretreated TiO2 film was immersed in 150 mL H2PtCl6 aqueous solution of 0.1 mM. After stirring for 3 h and aging for 1 h, the sample was dried in vacuum at 298 K for 1 h. Before characterization and photocatalytic reactions it was reduced in 20 vol% H2/He at 473 K for 0.5 h."
+ },
+ {
+ "id": 375,
+ "sac_id": "Atom: Pt\nSupport Material: Nanoporous TiO2 film\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Nanoporous TiO2 film\n\n",
+ "predicted": "Precursor synthesis: A 10 mL solution of H2PtCl6 (0.5 g L-1) was prepared by diluting a stock solution with deionized water. The solution was filtered through a 0.45 \u03bcm membrane filter before use.\n\nElectrodeposition: The electrochemical depositions were performed in an Ar-saturated three-electrical-cell system at room temperature using a CHI 760E instrument (Shanghai Chenhua Instrument Co., Ltd.). A nanoporous TiO2 film was used as the working electrode, and a graphite rod and Ag/AgCl electrode were used as the counter electrode and reference electrode, respectively. The deposition potential was set to -0.3 V vs. RHE for adding Pt precursors into the electrolyte. After 10 min of deposition, the as-obtained sample was washed with ultrapure water.",
+ "ground_truth": "Isolated Pt single atomic sites were anchored by a modified immersion and reduction method (Lang et al., 2016). Firstly, the nanoporous TiO2 film with a size of 40 mm \u00d7 120 mm was dipped into 0.1 M NaOH solution for 5 min. Then, the pretreated TiO2 film was immersed in 150 mL H2PtCl6 aqueous solution of 0.1 mM. After stirring for 3 h and aging for 1 h, the sample was dried in vacuum at 298 K for 1 h. Before characterization and photocatalytic reactions it was reduced in 20 vol% H2/He at 473 K for 0.5 h."
+ }
+ ],
+ "In-situ-electrogeneration-and-activation-of-H2O2-by-atomic-Fe-catalysts-for-the-efficient-removal-of-chloramphenicol": [
+ {
+ "id": 376,
+ "sac_id": "Atom: Fe\nSupport Material: Defect-enriched graphene sheets (N-DG)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Defect-enriched graphene sheets (N-DG)\n\n",
+ "predicted": "Precursor synthesis: 10 mL of deionized water, 25 mg of dicyandiamide, and 3.75 g of iron(III) chloride hexahydrate were mixed in a vial via sonication for 1 hour. The resulting solution was transferred to an autoclave and heated at 180 \u00b0C for 6 hours. After cooling down to room temperature, the obtained product was collected by centrifugation and washed with deionized water three times.\nSAC Synthesis: 100 mg of N-DG, 400 \u03bcL of colloidal silica sol (40 wt.%), and 10 mL of ethanol were added into a beaker and stirred for 2 hours. Then, the mixture was centrifuged at 9000 rpm for 10 minutes, and the final solid content of SiO2 on N-DG is about 1.0 mg per 1 mg of N-DG. The as-prepared sample was dried overnight under vacuum at 60 \u00b0C before electrochemical tests.",
+ "ground_truth": "Precursor synthesis: GO was prepared by a modified Hummers method (Marcano et al., 2010; Song et al., 2017). First, 200 mg GO powder was heated to 800 \u00b0C at a heating rate of 5 \u00b0C min^-1 for 3 h under Ar flow in a tube furnace. The calcined powder was washed several times and dried to obtain the pure DG catalyst. First, 200 mg GO and 100 mg melamine were mixed and ultrasonically dissolved in 50 mL deionized water for 1 h. Then, the mixture was freeze-dried to obtain a completely mixed powder. The powered mixture was heated at a range of proposed temperatures (700 -900 \u00b0C, 5 \u00b0C min^-1) for 3 h under Ar flow in a tube furnace. The calcined powder was washed several times and dried to obtain the final N-DG catalyst.\nSAC synthesis: The Fe/N-DG catalysts were obtained through high-temperature annealing after mixing GO, melamine, and the Fe precursor together. Taking the Fe1/N-DG catalyst as an example, after mixing 200 mg GO and 100 mg melamine ultrasonically, 15 mL prepared Fe(NO3)3 solution (1.34 mol L^-1) was added into the mixed solution. The final mixture was freeze-dried to obtain a mixed powder, and then, the powered mixture was heated at a range of proposed temperatures (700 -900 \u00b0C, 5 \u00b0C min^-1) for 3 h under Ar flow in a tube furnace. After pyrolysis, the samples were acid-washed with 3 mol L^-1 HCl at 80 \u00b0C with stirring for 3 h. After filtering and washing several times, the final catalysts were obtained by freeze drying."
+ }
+ ],
+ "Ultralow-temperature-assisted-synthesis-of-single-platinum-atoms-anchored-on-carbon-nanotubes-for-efficiently-electrocatalytic-acidic-hydrogen-evolution": [
+ {
+ "id": 377,
+ "sac_id": "Atom: Pt\nSupport Material: Carbon Nanotubes (CNTs)\nSynthesis Method: Solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Carbon Nanotubes (CNTs)\n\n",
+ "predicted": "Precursor synthesis: The Pt precursor used is Trimethyl(methylcyclopentadienyl)platinum(IV) (MeCpPtMe3).\n\nSynthesis of CNT supported catalysts: CNT supported catalysts were prepared by incipient wetness impregnation. Typically, 1 g of CNT was dispersed in 50 mL deionized water under ultrasonic treatment for 2 h until a homogeneous black suspension was obtained. Then, an appropriate amount of MeCpPtMe3 aqueous solution was added dropwise to the above black suspension with vigorous stirring and continued to ultrasonicate for another 2 h. Subsequently, the mixture was transferred into a 50 mL Teflon-lined stainless steel autoclave and heated at 453 K for 18 h. After cooling down to room temperature, the product was separated by centrifugation, washed several times with deionized water, and dried overnight at 60 \u00b0C, yielding the corresponding CNT supported catalysts.\n\nCharacterization of catalysts: X-ray diffraction (XRD) patterns of the as-prepared samples were recorded on a Rigaku D/Max 2500 using Cu K\u03b1 radiation. Scanning electron microscopy (SEM) images were taken on a Hitachi S-4800 instrument operated at 10 kV with no sputter coating. Transmission electron microscopy (TEM) observations were carried out on a JEOL JEM-2100 operated at 200 kV with carbon coating. Elemental analysis was performed by ICP-OES on a PerkinElmer AVIO 50 Auto Sampler. Thermogravimetric analysis (TGA) was conducted on a Netzsch STA 449 F1 under 10% H2/Ar atmosphere with a heating rate of 10 \u00b0C min^-1 up to 700 \u00b0C. Inductively coupled plasma optical emission spectrometry (ICP-OES) was employed to determine the metal loadings of the catalysts. Nitrogen adsorption measurements were carried out on a Micromeritics ASAP 2020 surface area and pore size analyzer. Prior to the measurement, about 20 mg of the sample was presulfided at 473 K for 2 h under 10 vol% H2/Ar. X-ray absorption spectroscopy (XAS) experiments were conducted at the BL14W1B beamline of Shanghai Synchrotron Radiation Facility (SSRF), China. Extended X-ray absorption fine structure (EXAFS) spectra were collected at room temperature. The chlorine content of the catalysts was determined by inductively coupled plasma mass spectrometry (ICP-MS). Fourier transform infrared (FTIR) spectra were measured on a Bruker Vertex 70 FTIR spectromester with a resolution of 4 cm^-1 using the ATR method. Ultraviolet-visible (UV-Vis) diffuse reflectance spectroscopy (DRS) measurements were carried out on a Shimadzu UV-3600 with BaSO4 as a Lambert diffuser. Catalyst powders were directly pasted on the BaSO4 plate. CO stripping TPD experiments were performed in a quartz reactor connected to a Pfeiffer VACUUM mass spectrometer (Pfeiffer Vacuum GmbH, Germany). Before the experiment, the quartz reactor was filled with 1 bar CO and then evacuated. Then, the quartz reactor was heated to the desired temperature with a heating ramp of 10 \u00b0C min^-1 under vacuum and subsequently increased to 1 bar with helium while stirring. The evolved CO species were continuously monitored by the mass spectrometer.\n\nPerformance test of catalysts: The activity tests of the catalysts were carried out in a fixed-bed quartz reactor with a diameter of 10 mm and a length of 500 mm under atmospheric pressure. Typically, 20 mg of the catalyst was presulfided at 473 K for 2 h under 10 vol% H2/Ar, followed by cooling down to room temperature in the same argon condition. Then, the catalyst was reduced at 333 K for 1 h under 1 bar of 10 vol% H2/Ar. For the CO oxidation reaction, 100 ppm CO balanced with air was introduced to the reactor and the conversion was calculated based on the online gas chromatography (GC) analysis. The flow rate of the reactants was controlled by two mass flow controllers (Oxford Lyotech Ltd, UK). The GC system (Agilent Technologies 7890B, USA) was equipped with a TCD detector and a packed column (Mol Sieve 5\u00c5, length 3m, inner diameter 3.2 mm, coiled). The outlet of the oven was connected to the GC and the sample gas was diluted by Ar before entering the GC. The flow rate of the Ar was 10 ml min^-1. The GC peak areas were recorded by a Agilent ChemStation software. The NO reduction experiments were carried out in a quartz reactor with a diameter of 10 mm and a length of 500 mm under atmospheric pressure. Typically, 20 mg of the catalyst was presulfided at 473 K for 2 h under 10 vol% H2/Ar, followed by cooling down to room temperature in the same argon condition. Then, the catalyst was reduced at 333 K for 1 h under 1 bar of 10 vol% H2/Ar. 100 ppm NO balanced with N2 was introduced to the reactor and the NO conversion was calculated based on the online gas chromatography (GC) analysis. The flow rate of the reactants was controlled by two mass flow controllers (Oxford Lyotech Ltd, UK). The GC system (PerkinElmer Clarus 680, USA) was equipped with a FID detector and a packed column (Porapak Q, length 2m, inner diameter 3.2 mm, coiled). The outlet of the oven was connected to the GC and the sample gas was diluted by Ar before entering the GC. The flow rate of the Ar was 10 ml min^-1. The GC peak areas were recorded by a PerkinElmer Clarus 680 software. The NO concentration was measured by a NO analyzer (Teledyne API, model 200E, USA). The flow rate of the reactants was controlled by a mass flow controller (Oxford Lyotech Ltd, UK). The concentrations of NO were recorded by a computer software (NOA 3.2.1). The CO methanol formation experiments were carried out in a quartz reactor with a diameter of 10 mm and a length of 500 mm under atmospheric pressure. Typically, 20 mg of the catalyst was presulfided at 473 K for 2 h under 10 vol% H2/Ar, followed by cooling down to room temperature in the same argon condition. Then, the catalyst was reduced at 333 K for 1 h under 1 bar of 10 vol% H2/Ar. A gas mixture of 100 ppm CO, 100 ppm O2 balanced with He was introduced to the reactor and the turnover frequency (TOF) of CH3OH was calculated based on the online gas chromatography (GC) analysis. The flow rate of the reactants was controlled by two mass flow controllers (Oxford Lyotech Ltd, UK). The GC system (Agilent Technologies 7890B, USA) was equipped with a FID detector and a packed column (Carboxen 1000, length 2m, inner diameter 3.2 mm, coiled). The outlet of the oven was connected to the GC and the sample gas was diluted by Ar before entering the GC. The flow rate of the Ar was 10 ml min^-1. The GC peak areas were recorded by a Agilent ChemStation software. The concentration of CO and O2 were measured by a CO analyzer (Sensidian, model 220, France) and an O2 analyzer (Sensidian, model 200, France), respectively.",
+ "ground_truth": "Precursor synthesis: Typically, certain amount of H2PtCl6 solution (0.1 M, Solution A) was one-shot injected into the alkaline microthermal reduction solution (N2H5OH, 5.0 M and KOH, 0.05 M), ensuring that the concentration of metal precursors is about 0.5 mM.\nSAC synthesis: The ultralow-temperature solution reduction approach for anchoring atomically dispersed Pt atoms on CNTs was illustrated in Fig. 1, during which the solution environment is kept at ultra-low temperature about -60 \u00b0C [46]. Typically, certain amount of H2PtCl6 solution (0.1 M, Solution A) was one-shot injected into the alkaline microthermal reduction solution (N2H5OH, 5.0 M and KOH, 0.05 M), ensuring that the concentration of metal precursors is about 0.5 mM. The mixed solution was reacted for 2 h to generate atomically dispersed Pt-based catalyst, and further stirred for another 3 h to sufficiently anchor atomic Pt species on CNTs after the addition of CNTs dispersed in ethanol (2.5 mg mL-1, Solution B). Thus, the sample (denoted as Pt-CNTs) was collected by vacuum filtration and further dried naturally at room temperature."
+ }
+ ],
+ "Identifying-the-single-active-site-in-MoS2-based-hydrogen-evolution-electrocatalyst-by-XAFS-technique": [
+ {
+ "id": 378,
+ "sac_id": "Atom: Co\nSupport Material: MoS2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: MoS2\n\n",
+ "predicted": "Precursor synthesis: The chemical vapor deposition (CVD) growth of monolayer WS2 was performed in a similar way as that of MoS2. 150 mg of NaCl/KCl mixture and 40 mg of S powder were put into an alumina boat, which was placed in the center of a quartz tube in the horizontal tube furnace. After pumping the system to \u2248 3 \u00d7 10-2 mbar, the furnace was heated to 800 \u00b0C at a rate of 10 \u00b0C min-1 under flowing Ar/H2 (10 vol.% H2). Then the temperature was kept at this isothermal step for 10 min before cooling down to room temperature. The power of quartz tube was set to 600 W. Monolayer MoS2 sample was prepared by CVD method on 300 nm SiO2/Si wafer. First, the Si wafer was cleaned by acetone, ethanol, and Milli-Q water for 15 min, respectively. Then, the substrate was placed facing upwards in the quartz tube chamber, while 150 mg of NaCl/KCl mixture and 40 mg of S powder were put into an alumina boat located at the downstream of the tube. The growth process was conducted with a ramping rate of 10 \u00b0C min-1 to 280 \u00b0C, keeping this temperature for 10 min, followed by heating to 800 \u00b0C at a ramping rate of 5 \u00b0C min-1 and keeping it for 10 min. The power of quartz tube was set to 600 W. The growth time was 1 h.\n\nSupport preparation: Monolayer WS2 samples were fabricated using CVD method on 300 nm SiO2/Si wafer. First, the substrate was cleaned by acetone, ethanol, and Milli-Q water for 15 min, respectively. Then, the substrate was placed facing upwards in the quartz tube chamber, while 150 mg of NaCl/KCl mixture and 40 mg of S powder were put into an alumina boat located at the downstream of the tube. The growth process was conducted with a ramping rate of 10 \u00b0C min-1 to 280 \u00b0C, keeping this temperature for 10 min, followed by heating to 800 \u00b0C at a ramping rate of 5 \u00b0C min-1 and keeping it for 10 min. The power of quartz tube was set to 600 W. The growth time was 1 h. After growth, the samples were taken out from the furnace and washed with Milli-Q water to remove the NaCl/KCl salt.\n\nDeposition of cobalt atoms: The deposition of cobalt atoms on monolayer WS2 was carried out using electron beam evaporation (Baltech GiTEC BAL-4C). Cobalt metal (99.99% purity) was used as the precursor. The deposition rate was controlled by varying the deposition time at a fixed distance between the source and the sample. The deposition time was varied from 10 s to 100 s. The thickness of the deposited cobalt layer was measured using a Dektak 150 stylus profiler. The thickness of the cobalt layer was found to be in the range of 1.7 - 17 nm.\n\nCharacterization: The morphology and structural properties of the samples were investigated using atomic force microscopy (AFM) (Bruker Dimension Icon). The optical properties of the samples were studied using UV-Vis spectroscopy (Perkin Elmer, Lambda 35). The Raman spectra of the samples were obtained using a Renishaw inVia Raman microscope with a 532 nm laser. The electrical properties of the samples were evaluated using four-point probe technique. The Hall measurements were performed in the Van der Pauw configuration.",
+ "ground_truth": "Precursor synthesis: To synthesize Co1/MoS2, the precursor of Co-doped MoO3 was prepared by the sol-gel method. Briefly, 0.856 g of hexaammonium heptamolybdate tetrahydrate (NH4)6Mo7O24\u00b74H2O, 45 mg of cobalt nitrate hexahydrate Co(NO)2\u00b76H2O, 2.1 g of citric acid were dissolved in deionized water. The mixed solution was stirred to form sol and dried at 110 \u00b0C for 2 h. Then the obtained gel was heated at 150 \u00b0C for 12 h and calcined at 550 \u00b0C for 5 h, and cooled to room temperature naturally.\nSAC synthesis: Then the Co-doped MoO3 was subject to a hydrothermal reaction to yield Co1/MoS2 (Tian et al., 2004). Typically, 0.72 g Co-doped MoO3 and 1.21 g potassium thiocyanate (KSCN) were dissolved in 60 ml deionized water and transferred into a Teflon-lined autoclave of 100 ml capacity. The autoclave was sealed into a stainless steel tank and kept at 200 \u00b0C for 24 h, and then cooled to room temperature naturally."
+ }
+ ],
+ "Fabricating-high-loading-Fe-N4-single-atom-catalysts-for-oxygen-reduction-reaction-by-carbon-assisted-pyrolysis-of-metal-complexes": [
+ {
+ "id": 379,
+ "sac_id": "Atom: Fe\nSupport Material: Nitrogen-doped porous carbon (NPC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Nitrogen-doped porous carbon (NPC)\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanogermoxane (C2N2GeX2, 300 mg) and iron nitrate nonahydrate (Fe(NO3)3\u00b79H2O, 500 mg) were dissolved in 8 mL of methanol to form a clear solution. The obtained solution was transferred into a Teflon-lined stainless steel autoclave and heated at 160 \u00b0C for 12 h. After cooling down to room temperature, the black product was collected by centrifugation and further purified by washing with deionized water and ethanol several times.\nS synthesis: A certain amount of as-synthesized S powder was placed in a crucible and annealed in Ar atmosphere at 700 \u00b0C for 2 h to obtain S-rich sample (denoted as S-700). Similarly, S powder was annealed at 500 \u00b0C for 2 h was denoted as S-500.\nNCP synthesis: S-700 (200 mg) and dicyandiamide (600 mg) were first dispersed in deionized water under sonication for 30 min, then the mixture was transferred to a Teflon-lined stainless steel autoclave and hydrothermally treated at 100 \u00b0C for 6 h. Subsequently, the obtained precipitates were dried at 60 \u00b0C overnight. Finally, the dried powder was pyrolyzed at 800 \u00b0C for 2 h under Ar atmosphere with a ramp rate of 5 \u00b0C min -1 to yield NCP.",
+ "ground_truth": "Precursor synthesis: 4 g glucose, 8 g C3H6N6, and 14.4 g K2C2O4\u00b7H2O were ground intensely until the mixture became uniform. The white mixture was transferred into a tubular furnace, calcined at 800 \u00b0C (ramping rate 3 \u00b0C min-1) for 1 h under Ar ambient. After cooling to room temperature, the residuals were treated with 1 M HCl, washed with distilled water until neutral pH, and dried in an oven at 70 \u00b0C for 12 h to achieve NPC.\nSAC synthesis: 90 mg NPC were dispersed into 20 mL ethanol by ultrasonication for 30 min to give Suspension A. x mg Fe(NO3)3\u00b79H2O and o-PD with a molar ratio of 1:10 were dissolved in 30 mL methanol with ultrasonication for 30 min to form Solution B. Solution B was then slowly dripped into Suspension A with vigorous stirring for 1 h and then evaporated at 70 \u00b0C to disperse the Feo-PD complex on NPC substrates. The recovered black solid was mingled with melamine at a mass ratio of 1:5 by grounding and calcined at 350 \u00b0C for 2 h and then at T \u00b0C (700-900 \u00b0C) for 2 h under Ar ambient with a ramping rate of 2 \u00b0C min-1. After cooling down to room temperature, the samples were obtained without further treatment, denoted as x Fe-SA/NPC-T (where x represents the amount of Fe(NO3)3\u00b79H2O, T represents the calcination temperature). In case of the formation of nanoparticles, the corresponding samples were denoted as 375Fe-NP/NPC-800 and 250Fe-NP/NPC-900. For comparison, some control samples were prepared with the same procedure of 250Fe-SA/NPC-800 without adding o-PD or NPC, the final productions were denoted as 250Fe-NP/NPC-800 and 250Fe-NP-800."
+ }
+ ],
+ "Isolation-of-Pd-atoms-by-Cu-for-semi-hydrogenation-of-acetylene:-Effects-of-Cu-loading": [
+ {
+ "id": 380,
+ "sac_id": "Atom: Cu\nSupport Material: SiO2 (Silica)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: SiO2 (Silica)\n\n",
+ "predicted": "Precursor synthesis: The copper source is Cu(NO3)2\u00b73H2O.\nSynthesis: In a typical experiment, 10 g of colloidal silica was diluted with 90 mL of DI water in a 250 mL three-necked round bottom flask. Cu(NO3)2\u00b73H2O (0.46 g) was dissolved in 10 mL of DI water and added dropwise to the silica solution with stirring. After adding Cu(NO3)2\u00b73H2O, the solution was heated at 80 \u00b0C for 4 h. The resulting solution was then cooled to room temperature and transferred into dialysis tubing to remove excess free Cu ions. The dialysis was continued for 7 days. Finally, the copper-loaded silica was collected after drying at 60 \u00b0C overnight.",
+ "ground_truth": "Cu-Pd/SiO2 catalysts with different Cu/Pd atomic ratios were synthesized using the incipient wetness co-impregnation method. First, silica gel (Qingdao Ocean Chemical Plant) with a Brunauer-Emmett-Teller (BET) surface area of 463 m\u00b2\u00b7g\u207b\u00b9 was impregnated with a mixture of Cu(NO\u2083)\u2082\u00b73H\u2082O and Pd(NO\u2083)\u2082 solution to achieve a nominal Pd loading of 523 ppm and varied Cu/Pd atomic ratios. The samples were subsequently dried at 80 \u00b0C for 10 h and calcined in air at 400 \u00b0C for 2 h. The as-prepared samples are denoted as Cu\u2093Pd/SiO\u2082 with x referring to the Cu/Pd atomic ratio. Monometallic Cu/SiO\u2082 and Pd/SiO\u2082 catalysts, with similar Cu or Pd loading to those of the Cu\u2081\u2086\u2080Pd/SiO\u2082 catalyst, were also prepared using the same method."
+ },
+ {
+ "id": 381,
+ "sac_id": "Atom: Pd\nSupport Material: SiO2 (Silica)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: SiO2 (Silica)\n\n",
+ "predicted": "Precursor synthesis: The silica support was prepared by the St\u00f6ber method. [3H-8]\n|Dopant synthesis: The palladium complexes were synthesized and characterized as reported previously. [4H-9]|\nMolecular structure determination: Single crystals of 1\u00b72H2O suitable for X-ray analysis were obtained from a concentrated acetonitrile solution by slow evaporation. Elemental analyses are in good agreement with the calculated values for C20H26N4O2Pd\u00b72H2O. Inductively coupled plasma atomic emission spectroscopy (ICP-AES) analysis gave Pd 27.5(2)%. IR spectra (KBr pellets) had absorption maxima at 3100-3200 (m), 3000-3050 (w), 1620 (s), 1550 (m), 1450 (m), 1400 (m), 1360 (m), 1300 (m), 1240 (s), 1180 (m), 1120 (m), 1080 (m), 1020 (m), 960 (w), 900 (w), 850 (w), 800 (w), 740 (w), 680 (w), 620 (w), 580 (w), 520 (w), 460 (w) cm^-1. ^1H NMR (DMSO-d6, 300 MHz) \u03b4 8.10 (d, J = 8.0, 2H), 7.50 (d, J = 8.0, 2H), 7.30 - 7.00 (m, 5H), 6.80 (d, J = 8.0, 2H), 6.60 (br s, 1H), 4.20 (t, J = 8.0, 2H), 3.70 (s, 3H), 3.60 (t, J = 8.0, 2H), 3.40 (br s, 2H), 2.90 (t, J = 8.0, 2H), 0.90 (t, J = 7.0, 3H). ^13C NMR (DMSO-d6, 75 MHz) \u03b4 160.0, 144.0, 138.0, 130.0, 129.0, 128.0, 127.0, 126.0, 120.0, 114.0, 113.0, 60.0, 52.0, 40.0, 22.0, 14.0. Anal. Calcd for C20H26N4O2Pd\u00b72H2O: C 44.84, H 5.34, N 10.78; Found: C 44.80, H 5.20, N 10.70. Microanalysis revealed the presence of two molecules of water per formula unit. CIF final R(F) = 0.042 with 1300 observed reflections. Crystal data CCDC No. 1042002 contains the molecular structure of 1\u00b72H2O.",
+ "ground_truth": "Cu-Pd/SiO2 catalysts with different Cu/Pd atomic ratios were synthesized using the incipient wetness co-impregnation method. First, silica gel (Qingdao Ocean Chemical Plant) with a Brunauer-Emmett-Teller (BET) surface area of 463 m\u00b2\u00b7g\u207b\u00b9 was impregnated with a mixture of Cu(NO\u2083)\u2082\u00b73H\u2082O and Pd(NO\u2083)\u2082 solution to achieve a nominal Pd loading of 523 ppm and varied Cu/Pd atomic ratios. The samples were subsequently dried at 80 \u00b0C for 10 h and calcined in air at 400 \u00b0C for 2 h. The as-prepared samples are denoted as Cu\u2093Pd/SiO\u2082 with x referring to the Cu/Pd atomic ratio. Monometallic Cu/SiO\u2082 and Pd/SiO\u2082 catalysts, with similar Cu or Pd loading to those of the Cu\u2081\u2086\u2080Pd/SiO\u2082 catalyst, were also prepared using the same method."
+ }
+ ],
+ "Single-atom-dispersed-Co-N-C:-A-novel-adsorption-catalysis-bifunctional-material-for-rapid-removing-bisphenol-A": [
+ {
+ "id": 382,
+ "sac_id": "Atom: Co\nSupport Material: N-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: N-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: Zn(NO3)2\u00b76H2O (5.58 g) was dissolved in 150 mL methanol as solution A. 2-methylimidazole (6.16 g) was dissolved in 150 mL methanol as solution B. Solution B was added dropwise to solution A with vigorous stirring at room temperature for 24 h. The precipitate was collected by centrifugation and washed with methanol three times. The product was then dried in a vacuum oven at 60 \u00b0C overnight. ZIF-8 powder was placed in a tube furnace and heated to 900 \u00b0C with a heating rate of 5 \u00b0C min^-1 and kept for 3 h under flowing Ar gas. The obtained black powder was ground to a fine powder and used as the cathode material of a solid-state supercapacitor. The specific capacity of ZIF-8@C is 171.4 mAh g^-1.\nSupercapacitor electrode synthesis: Typically, 80 mg ZIF-8@C, 20 mg Super P, and 20 mg pristine graphene were mixed with NMP solvent and sonicated for 30 min to form a slurry. The slurry was coated onto a polyethylene terephthalate (PET) film by doctor blade method with an active mass loading of 1 mg cm^-2. The wet film was transferred into a vacuum oven at 60 \u00b0C for further drying. The freestanding electrode film was cut into desired size and used as working electrode to assemble a CR2032 coin cell with a celgard 2400 separator and 0.5 M KCl electrolyte.",
+ "ground_truth": "Precursor synthesis: Co (OAc)2\u00b74H2O (1.2454 g, 5 mmol) and 1,10-phenanthroline monohydrate (1.9822 g, 10 mmol) were added to 200 mL ethanol and sonicated for 30 min, followed by adding Mg(OH)2 (1.1665 g, 20 mmol) and then sonication for 30 min.\nSAC synthesis: Then the mixture was transferred to a round-bottom flask and stirred under reflux at 60 \u00b0C for 4 h. Ethanol in the above system was removed by rotary evaporation and the obtained solid was dried at 60 \u00b0C. The obtained solid in batches was calcined in N2 at 700, 800, 850, 900 and 950 \u00b0C for 2 h, respectively. The obtained materials at a specified temperature (T, \u00b0C) were denoted as Co-N-C/MgO-T, and were further treated with 1 mol L -1 HCl for 10 h to remove the MgO support and unstable Co species. The acid treatment was repeated twice. The obtained solids were washed with water many times, and finally dried at 35 \u00b0C in vacuum drying oven. The prepared materials after acid treatment were correspondingly denoted as Co-N-C-T."
+ }
+ ],
+ "Fast-conversion-and-controlled-deposition-of-lithium-(poly)sulfides-in-lithium-sulfur-batteries-using-high-loading-cobalt-single-atoms": [
+ {
+ "id": 383,
+ "sac_id": "Atom: Co\nSupport Material: Nitrogen-doped carbon nanosheets (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Nitrogen-doped carbon nanosheets (N-C)\n\n",
+ "predicted": "Precursor synthesis: 0.25 g cobalt nitrate was dissolved in 10 mL deionized water. 0.3 g urea and 0.15 g citric acid were dissolved in another 10 mL of deionized water. The solutions were mixed, sealed in a Teflon-lined autoclave, and heated at 180 \u00b0C for 6 h. After cooling down to room temperature, the obtained precipitates were collected by centrifugation, washed with deionized water several times until neutral, and freeze-dried overnight.\nSAC synthesis: The synthesis procedure is the same as the above-mentioned SAC-Co-NS sheet but without adding 0.15 g citric acid during the synthesis process.\nSAF synthesis: The synthesis procedure is the same as the above-mentioned SAF sheet but without adding 0.15 g citric acid during the synthesis process.",
+ "ground_truth": "Precursor synthesis: The synthesis starts from the growth of cobalt zeolitic imidazolate frameworks (ZIF-67) on the surface of potassium chloride (KCl) particles via the coordination of cobalt (II) precursor and 2-methylimidazole (2-MIM) at 70\u00b0C. Upon annealing the ZIF-67@KCl precursor under an argon atmosphere at 750\u00b0C for 2 h and subsequently rinsing in hydrochloric acid solution, the final CoSA-N-C product could be obtained.\nSAC synthesis: The CoSA-N-C material was fabricated by a reported salt-template strategy. It starts from the growth of cobalt zeolitic imidazolate frameworks (ZIF-67) on the surface of potassium chloride (KCl) particles via the coordination of cobalt (II) precursor and 2-methylimidazole (2-MIM) at 70\u00b0C. Upon annealing the ZIF-67@KCl precursor under an argon atmosphere at 750\u00b0C for 2 h and subsequently rinsing in hydrochloric acid solution, the final CoSA-N-C product could be obtained. Notably, the inductively coupled plasma optical emission spectrometry (ICP-OES) measurement determines that Co content in the CoSA-N-C reaches as high as 15.3 wt%, which is consistent with the thermogravimetric analysis (TGA, Fig. S1). This value is surprisingly higher than previously reported SACs for Li-S batteries (Table S1). It is recognized that the salt-template is responsible for the formation of high metal loading of CoSA-N-C. In particular, the KCl template could prevent the large shrinkage of the thin ZIF-67 layer during high temperatures pyrolysis, therefore achieving densely dispersed Co atoms and Co-N species that are immobilized on the ultrathin carbon supports. For control experiments, a metal-free nitrogen-doped carbon nanosheet (NC) was prepared by the zinc-based ZIF (ZIF-8@KCl) precursor under the same conditions (Fig. S2)."
+ }
+ ],
+ "Synergistic-effect-of-size-dependent-PtZn-nanoparticles-and-zinc-single-atom-sites-for-electrochemical-ozone-production-in-neutral-media": [
+ {
+ "id": 384,
+ "sac_id": "Atom: Zn\nSupport Material: Zn-N-C\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Zn\nSupport Material: Zn-N-C\n\n",
+ "predicted": "Precursor synthesis: The Zn-N-C material was prepared by a similar procedure to that of Sb-Zn-N-C except for replacing 0.75 g of elemental antimony with 0.6 g of zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O).\n\nSynthesis: A mixture of carbon black, metal precursors (elemental antimony or zinc nitrate hexahydrate), and silica hydrosol was ultrasonically treated for 30 min in ethanol. The resulting slurry was then evaporated at 50 \u00b0C under stirring to dry it. Dried particles were calcinated at 800 \u00b0C under a Nitrogen atmosphere for 2 hours with a ramping rate of 5 \u00b0C/min. The obtained sample was ground with HF (10 wt%) solution at room temperature for 12 hours to remove the silica template. Finally, the sample was washed with deionized water until the pH reached neutral and dried at 80 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: ZIF-8 was synthesized by mixing a methanol solution of 2-methylimidazol (4 g) and methanol (20 mL) with a methanol solution (40 mL) of Zn(NO\u2083) \u00b7 6H\u2082O (1.68 g) by stirring for 1 h. The resulting solution was left resting for 24 h and the products were obtained after filtration, and dried in vacuum overnight.\n\nSAC synthesis: The ZIF-8@TA sample was obtained by employing the identical method used for the ZIF-8 as precursor. The Pt@ZIF-8@TA sample was transferred into a ceramic crucible and placed into a furnace in a nitrogen atmosphere at 900 \u00b0C for 2 h to obtain X-PtZn/Zn-N-C. The size of the PtZn NPs was easily tuned by altering the original size of the Pt NPs."
+ }
+ ],
+ "Coupling-effects-of-Zn-single-atom-and-high-curvature-supports-for-improved-performance-of-CO2-reduction": [
+ {
+ "id": 385,
+ "sac_id": "Atom: Zn\nSupport Material: N-doped carbon nano-onions (CNO)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Zn\nSupport Material: N-doped carbon nano-onions (CNO)\n\n",
+ "predicted": "Precursor synthesis: 2.0 g of polyvinylpyrrolidone (PVP, Mw = 13000), 50 mg of cetyltrimethylammonium bromide (CTAB), and 4.7 mL of zinc acetate dihydrate were added into 60 mL deionized water and stirred for 1 h to obtain solution A. 8.0 mL of sodium hydroxide solution (1 mol L -1 ) was added dropwise into a solution containing 3.9 mL of cyanamide and 30 mL of methanol under stirring at room temperature until the pH value reached 11.5. After stirring for another 30 min, 1.0 g PVP and a certain amount of CTAB were added and stirred for 1 h to obtain solution B. Then, solutions A and B were mixed together and stirred for 1 h. The obtained solution was transferred into a 100 mL Teflon-lined stainless steel autoclave and heated at 180 \u00b0C for 12 h. After cooling down naturally, the black product was collected by centrifugation and washed three times with ethanol. The as-prepared precursors were then dried in an oven at 60 \u00b0C overnight.\n\nSynthesis of ZIF-8/Zn-CNO: Typically, 100 mg of ZIF-8/Zn precursor was placed in a porcelain boat and annealed at 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C min -1 under flowing Ar atmosphere. After cooling down to room temperature, the black powder was removed and washed with diluted HCl solution (1 mol L -1 ) for 6 h to remove metal fragments. Finally, the sample was washed thoroughly with distilled water and ethanol and dried in an oven at 60 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: Briefly, the graphene with flat and porous structure were prepared by a simple metallothermic reaction between CO2 gas and Mgpowder. In a typical run, 64 g of MgO powder (analytical grade) and 8 g Mg powder (200 mesh) were thoroughly mixed to form a mixture with grey color, which was put into a graphite boat (20 cm /C2 10 cm /C2 5 cm). Then a tungsten coil was embedded into the Mg/MgO mixture. The graphite boat was placed in a steel reaction chamber filled with 1 MPa CO2 gas (99.99%). A current (3 A) was exerted through the tungsten coil for 5 s to produce enough heat for the initiation of self-propagating high-temperature synthesis (SHS). The reaction then proceeded in a self-sustaining manner and completed within seconds. After the reaction, the collected powder was rinsed in 1 mol L /C0 1 HCl to completely remove the remaining MgO, and finally filtered and freeze-dried. The black product was denoted as graphene (GR). SAC synthesis: The preparation of ZnN/GR is basically the same as above, except that CNO is replaced by GR."
+ },
+ {
+ "id": 386,
+ "sac_id": "Atom: Zn\nSupport Material: N-doped graphene (GR)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Zn\nSupport Material: N-doped graphene (GR)\n\n",
+ "predicted": "Precursor synthesis: Zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O), urea (CO(NH2)2).\nGR synthesis: Graphene oxide (GO, 500 mg) was dispersed in water (100 mL) and sonicated for 4 h. The mixture was heated at 90 \u00b0C for 8 h to obtain GO suspension. Then, 7.5 g of urea was added into the above solution and stirred vigorously. The mixture was heated at 180 \u00b0C for 12 h in a sealed Teflon-lined autoclave. After cooling down to room temperature, the solid product was collected by centrifugation with deionized water and ethanol. Finally, the sample was dried overnight under vacuum at 60 \u00b0C. The powder was denoted as GR. 100 mg of GR powder was mixed with 100 mL of Zn(NO3)2 solution (0.01 mol L-1) and stirred for 12 h. The mixture was then dried at 80 \u00b0C for 12 h to form GR/Zn2+ mixture. Next, the mixture was annealed at 800 \u00b0C for 2 h with a heating rate of 5 \u00b0C min-1 under Ar flow. The obtained sample was denoted as Zn-GR.",
+ "ground_truth": "Precursor synthesis: Briefly, the graphene with flat and porous structure were prepared by a simple metallothermic reaction between CO2 gas and Mgpowder. In a typical run, 64 g of MgO powder (analytical grade) and 8 g Mg powder (200 mesh) were thoroughly mixed to form a mixture with grey color, which was put into a graphite boat (20 cm /C2 10 cm /C2 5 cm). Then a tungsten coil was embedded into the Mg/MgO mixture. The graphite boat was placed in a steel reaction chamber filled with 1 MPa CO2 gas (99.99%). A current (3 A) was exerted through the tungsten coil for 5 s to produce enough heat for the initiation of self-propagating high-temperature synthesis (SHS). The reaction then proceeded in a self-sustaining manner and completed within seconds. After the reaction, the collected powder was rinsed in 1 mol L /C0 1 HCl to completely remove the remaining MgO, and finally filtered and freeze-dried. The black product was denoted as graphene (GR). SAC synthesis: The preparation of ZnN/GR is basically the same as above, except that CNO is replaced by GR."
+ }
+ ],
+ "Zinc-single-atoms-on-N-doped-carbon:-An-efficient-and-stable-catalyst-for-CO2-fixation-and-conversion": [
+ {
+ "id": 387,
+ "sac_id": "Atom: Zn\nSupport Material: N-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Organic\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Zn\nSupport Material: N-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: Zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O, 3.948 g) and dimethyl imidazole (1-DIAZ,, 2.064 g) were completely dissolved in 15 mL of methanol solution under magnetic stirring to obtain a homogeneous solution (solution A). Then 20 mL of methanol solution containing 2-methylimidazole (1-MEI,, 2.064 g) was poured into solution A with vigorous stirring for another 24 h at room temperature. After centrifugation and washing with methanol three times, the obtained precipitates were placed in an oven at 60 \u00b0C overnight to remove residual solvent.\nS synthesis: The above-mentioned ZIF-8 precursor (50 mg) was ultrasonically dispersed in 50 mL of methanol solution containing different amounts (0 mmol, 0.75 mmol, 1.5 mmol, and 2.25 mmol) of thioacetamide (C2H5NOSC2H3, S,) for 10 min. Subsequently, the mixed solution was refluxed at 60 \u00b0C for 12 h, followed by centrifugation and washing with methanol twice more. Finally, the obtained samples were placed in an oven at 60 \u00b0C overnight to remove residual solvent. All the obtained samples were denoted as ZIF-8, SIF-8-A, SIF-8-B, and SIF-8-C, respectively.\nN-C, SIF-8-X (X = A, B, C) synthesis: The obtained ZIF-8, SIF-8-A, SIF-8-B, and SIF-8-C samples (50 mg) were placed in a tube furnace and heated to 1000 \u00b0C at a rate of 2 \u00b0C min^-1 under flowing Ar gas for 3 h. After cooling down to room temperature, the resultant products were collected and placed in a plastic bag for 24 h in a vacuum oven at 120 \u00b0C to evaporate any remaining methanol or water. The obtained materials were denoted as N-C, SIF-8-X (X = A, B, C), respectively.",
+ "ground_truth": "Precursor synthesis: Zn(OAc)2 (0.5 mmol) and 1,10-phenanthroline (1.5 mmol) were dissolved in 50 mL ethanol. The reaction mixture was heated to 60 \u00b0C and stirred for 1 h under air atmosphere. Carbon support (VULCAN\u00aeXC72R, which is order from PT. Cabot Indonesia) was added into the mixture. After further stirring for another 2 h at 60 \u00b0C, the reaction mixture was cooled to room temperature naturally. After evaporating the ethanol solvent, a black solid material was obtained and dried at 60 \u00b0C for 3 h by vacuum and was grinded to a fine solid powder.\nSAC synthesis: The grinded powder was pyrolyzed at 700 \u00b0C for 2 h with a step of 25 \u00b0C under Ar. The resulting catalyst was grinded to get the final catalyst as Zn-SAC@NC-700."
+ }
+ ],
+ "Ni-and-nitrogen-codoped-ultrathin-carbon-nanosheets-with-strong-bonding-sites-for-efficient-CO2-electrochemical-reduction": [
+ {
+ "id": 388,
+ "sac_id": "Atom: Ni\nSupport Material: Nitrogen-doped ultrathin carbon nanosheets (N-CNSs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Nitrogen-doped ultrathin carbon nanosheets (N-CNSs)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 0.1 g of dopamine hydrochloride was dissolved in 25 mL of deionized water to form a clear solution (A), and 0.3 g of trisodium citrate was dissolved in 75 mL of deionized water to form a solution (B). Then, the solution B was adjusted to pH = 10 with 1 M NaOH. Subsequently, the solution A was added into solution B dropwise, and the mixture was kept stirring for 6 h. After that, the precipitates were collected by centrifugation and washed with deionized water and ethanol for three times, followed by drying at 60 \u00b0C overnight.\n\nSynthesis of polydopamine film: The as-obtained polydopamine film was prepared by immersing 0.5 g of the obtained precursors into 50 mL of Tris-HCl buffer (pH = 8.5) at room temperature for 48 h.\n\nCarbonization: The obtained polydopamine film was heated at 900 \u00b0C for 2 h with a ramping rate of 5 \u00b0C min^-1 under N2 flow. After cooling down to room temperature, the product was washed with deionized water and ethanol for three times, followed by drying at 60 \u00b0C overnight.\n\nNitrogendoping: The nitrogendoped sample was obtained by annealing the obtained carbonized sample in 98% NH3 for 1 h at 800 \u00b0C with a heating rate of 10 \u00b0C min^-1.",
+ "ground_truth": "Precursor synthesis: The mixtures of melamine (5 g) and citric acid (0.268 g) were dissolved in 30 ml methanol solution and stirred vigorously for 12 h. The samples were dried in vacuum at 60 \u2103, then heated in a muffle furnace from room temperature to 900 \u2103 at a heating rate of 3 \u2103 min /C0 1, and kept at this temperature for 1 h under the flowing Ar atmosphere to yield N -CNSs.\nSAC synthesis: The mixtures of melamine (5 g) and citric acid (0.268 g) were dissolved in 30 ml methanol solution, which were added Ni (NO3)2 /C1 6H2O (80 mg) and stirred vigorously for 12 h. The samples were dried in vacuum at 60 \u2103, then heated in a muffle furnace from room temperature to 900 \u2103 at a heating rate of 3 \u2103 min /C0 1, and kept at this temperature for 1 h under the flowing Ar atmosphere to yield NiN -CNSs."
+ }
+ ],
+ "Cross-linked-multi-atom-Pt-catalyst-for-highly-efficient-oxygen-reduction-catalysis": [
+ {
+ "id": 389,
+ "sac_id": "Atom: Pt\nSupport Material: ZnFe-N-C\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: ZnFe-N-C\n\n",
+ "predicted": "Precursor synthesis: The preparation of the MOF precursor was referred to the previous report. [S1] Specifically, 0.48 g of Zn(NO3)2$6H2O and 0.52 g of Fe(acac)3 were dissolved in 75 mL of methanol under ultrasonic treatment for 10 min; then, 0.96 g of 2-methylimidazole in 15 mL of methanol was added into above solution under vigorous stirring. After continuous stirring for another 12 h at room temperature, the as-obtained precipitates were collected by centrifugation at 10000 rpm for 5 min, washed thrice with methanol, and finally dried in vacuum at 70 \u00b0C overnight.\n\nSynthesis: The prepared ZIF-8/Pt was heated to 950 \u00b0C (5 \u00b0C/min) for 3 h at a heating rate under flowing Ar gas (10 ml/min), followed by natural cooling to room temperature. The black powder product was labeled as Pt/ZnFe-N-C.\n\nCharacterization: XRD measurement was conducted on a Bruker D8 Advance X-ray diffractometer using Cu K\u03b1 radiation. N2 adsorption-desorption isotherms were measured at 77 K on a TriStar III 3000 surface analyzer. ICP-OES measurements were performed by using an Optical Emission Spectrometer SPECTRO ARCOS. XPS analysis was carried out on a VG Scienta SCA laboratory ECM 100 X-ray photoelectron spectroscopy system. STEM microscopy was performed on JEOL JEM-ARM200F transmission electron microscope operated at 200 kV. Raman spectra were recorded on a Renishaw inVia Raman spectrometer excited by a 532 nm laser.",
+ "ground_truth": "SAC synthesis: The Pt/Zn-N-C catalyst supported by Zn-N-C was prepared under similar conditions as MAC-Pt/ZnFe-N-C as mentioned above."
+ },
+ {
+ "id": 390,
+ "sac_id": "Atom: Pt\nSupport Material: Fe-N-C\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Fe-N-C\n\n",
+ "predicted": "Precursor synthesis: 1.2 g of Zn(NO3)2\u00b76H2O and 0.4 g of Fe(acac)3 were dissolved in 50 mL of methanol under magnetic stirring (solution A). 14.8 g of 2-methylimidazole was dissolved in 70 mL of methanol under stirring (solution B). Solution B was poured into solution A with vigorous stirring for 24 h at room temperature. The obtained precipitates were collected by centrifugation, washed with methanol three times, and finally dried overnight at 70 \u00b0C in a vacuum oven.\n\nSynthesis of Fe-N-C: The as-prepared ZIF-8@Zn(NO3)2\u00b76H2O was transferred to a tube furnace and heated to 900 \u00b0C with a heating rate of 5 \u00b0C min^-1 and kept at 900 \u00b0C for 3 h under flowing argon gas. After cooling to room temperature naturally, the obtained powder was refluxed in 2.0 M H2SO4 at 80 \u00b0C for 12 h and then washed thoroughly with deionized water until the pH value became neutral. Finally, the samples were dried at 60 \u00b0C overnight.\n\nElectrochemical measurement: The Zn(NO3)2\u00b76H2O/Fe-N-C/Pt, Fe-N-C/Pt, and Pt electrodes were prepared by drop-coating 10 \u03bcL of ink onto an ordinary glassy carbon electrode (GCE, 3 mm in diameter) and drying it at 25 \u00b0C in air. The loading amount of metallic materials on GCE is about 0.2 mg cm^-2. Cyclic voltammetry (CV), linear sweep voltammetry (LSV), and chronopotentiometry (CP) experiments were carried out using an electrochemical workstation (CHI 660E, China). The potentials reported in this paper are versus the reversible hydrogen electrode (RHE). EIS measurements were performed in the frequency range from 100 kHz to 10 mHz with an amplitude of 5 mV. All electrochemical measurements were conducted in a three-electrode system, where Fe-N-C/PTFE coated GCE served as the working electrode, Ag/AgCl electrode served as the reference electrode, and graphite rod served as the counter electrode. The Zn(NO3)2\u00b76H2O/Fe-N-C/Pt electrode was immersed in 0.5 M KOH solution containing 50 \u03bcM Ni(NO3)2\u00b76H2O for 1 h before any electrochemical test.",
+ "ground_truth": "SAC synthesis: The Pt/Zn-N-C catalyst supported by Zn-N-C was prepared under similar conditions as MAC-Pt/ZnFe-N-C as mentioned above."
+ },
+ {
+ "id": 391,
+ "sac_id": "Atom: Pt\nSupport Material: Vulcan-C\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Vulcan-C\n\n",
+ "predicted": "Precursor synthesis: The Pt precursor used is tetrakis(ethylmethylamino)platinum (TEMAP). TEMAP was deposited on the support material at room temperature. The deposition solution was prepared by mixing 0.15 mL of ethylmethylamine (EMA, Sigma Aldrich, 99%) with 1 mL of degassed MilliQ water and then adding 20 \u03bcL of a 3 mg/mL H2PtCl6 solution. This solution was then added to the carbon support suspension. The carbon support suspension was prepared by dispersing 500 mg of Vulcan-C in 50 mL of MilliQ water with the help of an ultrasonicator for 20 min. The pH of the support suspension was adjusted to 8 using ammonium hydroxide. The precursor solution was then added to the support suspension drop-wise under stirring conditions and allowed to react for 4 h. After reaction, the catalyst slurry was filtered and washed with MilliQ water until the filtrate pH reached 7. The filter cake was then dried overnight in an oven at 60 \u00b0C. The dried catalyst was calcined at 300 \u00b0C for 2 h in air before any other characterization or testing.\n\nOther syntheses: Catalysts with 10 wt.% Pt loading were prepared by using different amounts of H2PtCl6 in the precursor solution to achieve the desired weight percentage. For example, 0.5 mL of a 3 mg/mL H2PtCl6 solution was used to prepare the 1 wt.% Pt catalyst, while 5 mL of this solution was used for the 50 wt.% Pt catalyst.",
+ "ground_truth": "SAC synthesis: The Pt/Zn-N-C catalyst supported by Zn-N-C was prepared under similar conditions as MAC-Pt/ZnFe-N-C as mentioned above."
+ },
+ {
+ "id": 392,
+ "sac_id": "Atom: Pt\nSupport Material: Zn-N-C\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Zn-N-C\n\n",
+ "predicted": "Precursor synthesis: The preparation of the Pt-Zn-NC electrocatalysts was similar to that of Pt-Zn-BNC, except that BN was replaced by ZIF-8.\nElectrode synthesis: Typically, 10 mg Pt-Zn-ZNC powder and 30 mg Super P were uniformly mixed with Nafion solution (25%, 60 \u03bcL) in an ethanol (2 mL) and water (8 mL) mixture, stirred for 6 h, standing overnight, and then sonicated for 30 min. The obtained mixture was dropped on the carbon cloth (1 cm \u00d7 3 cm), dried in air, and cut into pieces (1 cm \u00d7 1 cm).\n|eval_lossaccuracy_f1: 0.0 0.0 0.0|",
+ "ground_truth": "SAC synthesis: The Pt/Zn-N-C catalyst supported by Zn-N-C was prepared under similar conditions as MAC-Pt/ZnFe-N-C as mentioned above."
+ }
+ ],
+ "Fluorine-tuned-single-atom-catalysts-with-dense-surface-Ni-N4-sites-on-ultrathin-carbon-nanosheets-for-efficient-CO2-electroreduction": [
+ {
+ "id": 393,
+ "sac_id": "Atom: Ni\nSupport Material: F-doped N-doped carbon nanosheets (FNC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: F-doped N-doped carbon nanosheets (FNC)\n\n",
+ "predicted": "Precursor synthesis: 0.2 g of FeCl3\u00b76H2O and 0.4 g of NiCl2\u00b76H2O were dissolved in 15 mL of deionized water to form a clear red solution, which was subsequently injected into 15 mL of aqueous solution containing 2-methylimidazole (Aldrich, 99%, 0.6 g). After stirring for 1 h at room temperature, the resulting purple precipitates were centrifuged and washed with methanol prior to drying at 60 \u00b0C overnight.\nNSC Synthesis: The collected powder of FeNi ZIF-8 was placed in a tube furnace and then heated to 950 \u00b0C at a rate of 5 \u00b0C min^-1 under flowing Ar gas for 3 h. After cooling down to room temperature, the black powder was soaked in 1 M HCl solution for 12 h to remove the metal cores, followed by washing with deionized water and drying at 60 \u00b0C overnight to obtain NSC.\nConversion to FNC: 0.05 g of NSC powder was mixed with 0.1 g of NaF (Alfa Aesar, 99%) uniformly through grinding. Subsequently, the mixture was calcined in a tube furnace at 900 \u00b0C for 3 h at a heating rate of 5 \u00b0C min^-1 under Ar flow. Afterward, the obtained powder was leached in 1 M HCl solution for 12 h to eliminate metal residuals. After washing with deionized water and drying at 60 \u00b0C, the final product FNC was obtained.",
+ "ground_truth": "Precursor synthesis: 0.25 g of glucose, 10 g of melamine, and 0.25 g of Ni(NO3)2\u00b76H2O were mixed and grinded to obtain a homogenous precursor. Subsequently, a certain quantity of PTFE and 10 mL of deionized water were added to the precursor. After stirring evenly, the mixture was subjected to freeze-drying.\nSAC synthesis: Then, 5 g of the freeze-dried powder was placed in a crucible, and firstly pyrolyzed at 600 \u00b0C for 1 h with a heating ramp of 2.5 \u00b0C min -1 from room temperature, then heated to 900 \u00b0C with the same heating ramp and maintained for 1 h under flowing Ar atmosphere (40 mL min -1 ). After cooled to room temperature, the obtained samples were denoted as Ni-SAs@FNC. Similarly, the catalysts with different fluorine contents were prepared by controlling the added amount of PTFE."
+ }
+ ],
+ "Effect-of-IB-metal-on-Ni-SiO2-catalyst-for-selective-hydrogenation-of-acetylene": [
+ {
+ "id": 394,
+ "sac_id": "Atom: Ag\nSupport Material: SiO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ag\nSupport Material: SiO2\n\n",
+ "predicted": "Precursor synthesis: The silica support was prepared by the St\u00f6ber method. Typically, 10 mL of ammonium hydroxide solution (28 wt%) was added dropwise into a mixture of 35 mL of ethanol and 45 mL of distilled water under vigorous stirring. After 1 h, 0.6 g of tetraethylorthosilicate (TEOS) was added to the above solution followed by stirring for another 1 h. The white precipitate was collected after aging at room temperature for 24 h, washing with distilled water, and drying at 70 \u00b0C overnight. The powder was calcined in air at 550 \u00b0C for 6 h before use.\n\nMetal incorporation: Ag/SiO2 catalysts were prepared by the impregnation method using an aqueous solution of silver nitrate as the metal precursor. Typically, 2 g of calcined SiO2 support was impregnated with an appropriate amount of silver nitrate solution to achieve a desired Ag loading of 0.5-5 wt%. The mixtures were dried at 70 \u00b0C overnight. The obtained solid was calcined at 550 \u00b0C for 6 h in air.\n\nCatalyst characterization: XRD patterns were recorded on a Rigaku D/Max-Ultima IV diffractometer using Cu K\u03b1 radiation (\u03bb = 0.154 nm). N2 adsorption-desorption isotherms were measured at 77 K using a Micromeritics Tristar III 3000 analyzer. SEM images were taken on a Hitachi S-800M microscope operated at 15 kV. TEM images were taken on a JEOL JEM-2100 operated at 200 kV. XANES spectra were recorded at the Advanced Photon Source at Argonne National Laboratory using beamline 10ID-B. The energy resolution was set to 1 eV. The Ag L3-edge absorption edges were recorded at room temperature. The Ag crystal field was fixed at 11839 eV.",
+ "ground_truth": "Precursor synthesis: The silica (Qingdao Ocean Chemical Plant, BET surface area = 463 m 2 /g) was firstly impregnated with a mixture of Ag(NO3) and Ni(NO3)2\u00b76H2O solution to obtain the catalysts with different Ni/Ag atomic ratios. The nominal loading of Ag was fixed at 4 wt%. After aging in air at room temperature for 12 h, the samples were dried in air at 120 \u00b0C for 12 h. Finally, the samples were calcined in air at 400 \u00b0C for 3 h. The as-prepared catalysts were named as AgNi x /SiO2 catalysts. In order to better compare the catalytic performance of the different catalysts, the corresponding monometallic Ni x /SiO2 and Ag/SiO2 catalysts were prepared by the same method (the loading of Ni was the same as the corresponding AgNi x /SiO2 catalysts; the loading of Ag was 4 wt%).\nSAC synthesis: The AgNi x /SiO2 catalysts ( x = Ni/Ag atomic ratios) with different atomic ratios were prepared by the incipient wetness co-impregnation method."
+ },
+ {
+ "id": 395,
+ "sac_id": "Atom: Au\nSupport Material: SiO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Au\nSupport Material: SiO2\n\n",
+ "predicted": "Precursor synthesis: HAuCl4\u00b7xH2O (99.9%, Alfa Aesar) was dissolved in ethanol (EtOH, 99.5%, Tianjin Kemiou Chemical Reagent Manufacture Co., Ltd.) and aged for 1 h to obtain a clear solution.\n\nSynthesis of Au/SiO2 catalysts: The prepared HAuCl4 solution was added dropwise to the surface of the support (SiO2). After impregnation, the sample was dried at room temperature overnight and then calcined at 300 \u00b0C for 4 h with a ramp rate of 1 \u00b0C min-1 in air. The obtained sample was denoted as x HAuCl4/SiO2, where x is the mass fraction of gold precursor in the feed solution (in %).\n\nAtom trapping: To prepare the Au-trapped samples, the as-synthesized HAuCl4/SiO2 powder was placed on a porcelain boat and heated up to 873 K (K2CO3(s)/SiO2(s) system) for 2 h under vacuum (~1 \u00d7 10-4 Pa), followed by quenching with argon (~10 Torr). The resulting sample was denoted as y Au-AT/SiO2, where y is the mass fraction of gold in the final product (in %).",
+ "ground_truth": "Precursor synthesis: The silica was functionalized with 3-aminopropyl triethoxysilane (APTES; Acros Organics, 99%), which was denoted as SiO2-APTES. In the first step, the gold precursor was loaded on the surface of the SiO2-APTES by successively dispersing in the HAuCl4 solution (2.0 gAu/L) and reducing by NaBH4 solution. In the second step, the Ni(NO3)2 solution and tert-butylamine borane solution were used respectively instead of the HAuCl4 solution and NaBH4 solution in the first step.\nSAC synthesis: The resulting solid was dried at 60 \u00b0C for 1 d, and then calcined at 500 \u00b0C for 3 h to obtain the AuNi x /SiO2 catalysts ( x refers to the mole ratio of Ni to Au)."
+ },
+ {
+ "id": 396,
+ "sac_id": "Atom: Cu\nSupport Material: SiO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: SiO2\n\n",
+ "predicted": "Precursor synthesis: A solution of copper(II) acetate monohydrate (1.0 mmol, 0.234 g) in ethanol (5 mL) was added to a solution of 1-allyl-1H-imidazole (1.2 mmol, 0.186 g) in ethanol (5 mL). The reaction mixture was refluxed for 6 h with constant stirring. Following this, the obtained precipitate was isolated by filtration and washed with ethanol. The dark green solid was dried at 70 \u00b0C overnight. Yield: 0.291 g (80% based on theoretical six-coordinate stoichiometry).\n\nSupport Material Synthesis: A solution of Cu(Ac)(Im) in ethanol (0.2 mmol in 2 mL solvent) was added to a solution of Si(OR)4 in ethanol (2.5 mmol in 20 mL solvent). The resulting mixture was heterogeneous and the reaction progress could be monitored by powder X-ray diffraction (PXRD). After 18 h, the solvent was removed by rotary evaporation (30 \u00b0C, 100 rpm pressure \u2248 300 mbar), followed by drying in vacuo at ambient temperature overnight. The remaining solid was characterized by PXRD. Yield: 0.115 g (80% based on theoretical six-coordinate stoichiometry).",
+ "ground_truth": "Precursor synthesis: The silica (Qingdao Ocean Chemical Plant, BET surface area = 463 m 2 /g) was firstly impregnated with a mixture of Cu(NO3)2\u00b73H2O and Ni(NO3)2\u00b76H2O solution to obtain the catalysts with different Ni/Cu atomic ratios. The nominal loading of Cu was fixed at 4 wt%. After aging in air at room temperature for 12 h, the samples were dried in air at 120 \u00b0C for 12 h. Finally, the samples were calcined in air at 400 \u00b0C for 3 h. The as-prepared catalysts were named as CuNi x /SiO2 catalysts. In order to better compare the catalytic performance of the different catalysts, the corresponding monometallic Ni x /SiO2 and Cu/SiO2 catalysts were prepared by the same method (the loading of Ni was the same as the corresponding CuNi x /SiO2 catalysts; the loading of Cu was 4 wt%).\nSAC synthesis: The CuNix/SiO2 catalysts ( x = Ni/Cu atomic ratios) with different atomic ratios were prepared by the incipient wetness co-impregnation method."
+ }
+ ],
+ "Highly-efficient-utilization-of-single-atoms-via-constructing-3D-and-free-standing-electrodes-for-CO2-reduction-with-ultrahigh-current-density": [
+ {
+ "id": 397,
+ "sac_id": "Atom: Co\nSupport Material: High-yield carbon nanofibers (HCNFs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: High-yield carbon nanofibers (HCNFs)\n\n",
+ "predicted": "Precursor synthesis: 0.8 g of CoPc was dissolved in 12 mL DMF and stirred for 3 hours to form a uniform solution.\nHCNF growth: The as-prepared solution was transferred into the injection system of an ultrasonic spray gun (Sono-Tek, USA). The solution was continuously sprayed onto a moving stainless steel mesh at a speed of 5 cm/min under 40 kHz frequency. The voltage applied on the solution reservoir was set to be 2.5 kV, and the solution flow rate was controlled at 1.5 mL/h. After that, the precursor-coated mesh was placed into a tubular furnace and kept at 700 \u00b0C for 2 hours with argon gas flowing at a rate of 60 sccm. Finally, the resulting CoPc@HCNFs were obtained after peeling off the precursors from the bottom of the mesh.",
+ "ground_truth": "Precursor synthesis: 1.6 g of polyacrylonitrile (PAN, Mw \u00bc 130000) and 20 mg of Co(NO3)2 \u00b7 6H2O powder were dissolved in 20 mL of DMF in a three-neck bottle by vigorously stirring to obtain a homogenous solution.\nSAC synthesis: The precursor solution was electrospun using a parallel-plate apparatus. The precursor solution was transferred into a syringe with a stainless copper needle at the tip. The needle was connected to a high voltage power supply. The as-spun nanofibrous materials were pre-oxidated in air at 220 \u00b0C for 1 h and then carbonized under Ar gas flow at an optimal temperature of 900 \u00b0C for 1 h to achieve a high graphitization. The resulting product was referred to as CoSA/CNFs."
+ },
+ {
+ "id": 398,
+ "sac_id": "Atom: Co\nSupport Material: Carbon nanofibers (CNFs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Carbon nanofibers (CNFs)\n\n",
+ "predicted": "Precursor synthesis: ZnCo-ZIF was prepared by mixing Zn(NO3)2\u00b76H2O and Co(NO3)2\u00b76H2O with a molar ratio of 1:1 in deionized water under sonication. The obtained solution was then added dropwise to a pre-prepared aqueous solution containing Zn(NO3)2\u00b76H2O, Co(NO3)2\u00b76H2O, and ZnCo-ZIF.\n\nCNF synthesis: A mixture of polyacrylonitrile (PAN), zinc acetate, and cobalt acetate was dissolved in DMF at room temperature. The resulting solution was stirred for 24 h at 70 \u00b0C via an oil bath followed by filtration and drying at 50 \u00b0C overnight. The dried PAN/ZnAc/CoAc composite was ground into powder and transferred into a crucible for pyrolysis. The pyrolysis process was conducted in a tube furnace at 280 \u00b0C for 0.5 h under N2 atmosphere, followed by washing with DI water to remove metallic cations.",
+ "ground_truth": "Precursor synthesis: 1.6 g of polyacrylonitrile (PAN, Mw \u00bc 130000) and 20 mg of Co(NO3)2 \u00b7 6H2O powder were dissolved in 20 mL of DMF in a three-neck bottle by vigorously stirring to obtain a homogenous solution.\nSAC synthesis: The precursor solution was electrospun using a parallel-plate apparatus. The precursor solution was transferred into a syringe with a stainless copper needle at the tip. The needle was connected to a high voltage power supply. The as-spun nanofibrous materials were pre-oxidated in air at 220 \u00b0C for 1 h and then carbonized under Ar gas flow at an optimal temperature of 900 \u00b0C for 1 h to achieve a high graphitization. The resulting product was referred to as CoSA/CNFs."
+ }
+ ],
+ "Single-atom-catalyst-boosts-electrochemical-conversion-reactions-in-batteries": [
+ {
+ "id": 399,
+ "sac_id": "Atom: Fe\nSupport Material: Porous nitrogen-rich carbon matrices (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Porous nitrogen-rich carbon matrices (NC)\n\n",
+ "predicted": "Precursor synthesis: Iron(II) acetate tetrahydrate (0.15 mmol, 39.2 mg), 1,4-benzenedicarboxylic acid (0.5 mmol, 87.2 mg), and nicotinamide (1.5 mmol, 167.2 mg) were added to 12 mL of DMF with vigorous stirring for 1 h. All chemicals used were of analytical grade and used without further purification.\n\nFEC (NC) Synthesis: A similar procedure was employed as described above for the synthesis of FEC (PM) but using melamine powder instead of dopamine hydrochloride. In a typical synthesis, melamine powder (1.5 g) was dispersed in 12 mL of DMF by ultrasonication for 30 min at room temperature. Then, 0.15 mmol of iron(II) acetate tetrahydrate, 0.5 mmol of 1,4-benzenedicarboxylic acid, and 1.5 mmol of nicotinamide were added to the solution with vigorous stirring for 1 h. Subsequently, the homogeneous mixture was refluxed at 140 \u00b0C for 12 h. Afterward, the resulting solution was cooled down to room temperature, and the precipitate was centrifuged and washed several times with ethanol and finally dried overnight at 60 \u00b0C under vacuum. The obtained black powder was denoted as FEC(NC).",
+ "ground_truth": "Precursor synthesis: The NG, NCNT, and NG-NCNT@PANI nanocomposites were synthesized according to our previous reports.[16,18] Simply, the NCNT and NG powders (200 mg in total, m:m=1:1) were effectively sonicated for 1 h in ultrapure water (Millipore, 18.2 M \u03a9) to form a stable NG-NCNTs dispersion. Then, 300 mg of aniline monomer dispersed in 0.1 mol L -1 HCl solution was added to the dispersion, and then stirred for another 30 min before a 50 mL aqueous solution of ammonium persulphate (196.3 mg) being added dropwise under vigorous stirring in an ice bath. After stirring for 24 h, the nanocomposites were filtered out, washed several times by ultrapure water and ethanol, and finally freezing-dried for 24 h to yield the dried NG-NCNT@PANI composites.\n\nSAC synthesis: The as-synthesized NG-NCNT@PANI nanocomposites (96 mg) were mixed with commercial lithium sulfides (230 mg) and iron(II) acetate precursor (23 mg) in 10 mL anhydrous ethanol in the glovebox. Then mixed dispersion was stirring for 24 h before rapidly evaporated at 95 \u00b0C in the glovebox. The obtained mixture was carbonized and reduced in a sealed vessel under flowing argon atmosphere at 700 \u00b0C with a heating rate of 3 \u00b0C min -1 and kept for 120 min at 700 \u00b0C. After cooling down to the room temperature naturally, the cathode nanocomposites (Li2S@NC:SAFe) were achieved. In this process, the uniform distributed iron(II) acetate precursor was carbonized and reduced to generate single atom iron in the Li2S@NC:SAFe nanocomposites. Simultaneously, the PANI layer was converted to porous nitrogen-doped carbon (NC) with certain flexibility. The as-carbonized NC not only serves as the conductive matrix welder and the polysulfides adsorption to restrain the shuttle effect but also acts as a catalyst supporter for inducing the formation of the single atom catalyst."
+ }
+ ],
+ "A-new-trick-for-an-old-support:-Stabilizing-gold-single-atoms-on-LaFeO3-perovskite": [
+ {
+ "id": 400,
+ "sac_id": "Atom: Au\nSupport Material: LaFeO3/MCF\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Au\nSupport Material: LaFeO3/MCF\n\n",
+ "predicted": "Precursor synthesis: The LaFeO3 nanocrystals were prepared by a solvothermal method. In a typical procedure, 1 mmol La(NO3)3\u00b76H2O and 0.9 mmol Fe(NO3)3\u00b79H2O was dissolved in 20 mL of ethylene glycol by stirring at room temperature to form a homogeneous solution. Then, 5 mL N,N-dimethylformamide (DMF) was added into the above solution under vigorous stirring for 10 min. Afterwards, the mixture was transferred into a 40 mL Teflon-lined stainless steel autoclave and heated at 180 \u00b0C for 12 h. After cooling to room temperature naturally, the precipitate was collected by centrifugation at 10000 rpm for 10 min and washed with ethanol three times. Finally, the obtained product was dried at 70 \u00b0C overnight.\n\nSynthesis: The as-synthesized LaFeO3 nanocrystals were used without any post-treatment.\n\nAnnealing: The as-synthesized LaFeO3 nanocrystals were calcined at 1000 \u00b0C for 2 h with a ramping rate of 5 \u00b0C min -1 under air atmosphere to obtain LaFeO3/MCF.",
+ "ground_truth": "Precursor synthesis: The perovskite support (LaFeO3/MCF) was prepared by a modified Pechini-method. Typically, La(NO3)3\u00b76H2O (0.165 mmol) and Fe(NO3)3\u00b79H2O (0.165 mmol) were dissolved in dilute HNO3 under vigorous stirring, the pH value of the solution was kept between two and three. Then 10 mL of a water-ethanol (v/v = 1:7) solution containing citric acid (0.66 mmol) as a chelating agent for the metal ions was added to the reaction. The molar ratio of metal ions to citric acid was 1:2. As a cross-linking agent, ethylene glycol was added with a final concentration of 0.20 g mL-1. The solution was stirred for 2 h to form a sol, and then the MCF (0.2 g) was added under stirring. The suspension was further stirred for another 4 h, and then the temperature was then increased to 70 \u00b0C and placed under vacuum to completely evaporate solution. Then the dried samples were heated to 500 \u00b0C with a heating rate of 1 \u00b0C min-1 and held at 500 \u00b0C for 2 h in air and was further heated to 700 \u00b0C for 2 h in air with a heating rate of 1 \u00b0C min-1.\nSAC synthesis: The Au precursor was introduced onto the LaFeO3/MCF support using a DP method. Typically, 0.01 g of hydrogen tetrachloroaurate (III) trihydrate (HAuCl4\u00b73H2O) was dissolved into 4 mL deionized water. The pH value of the resulting solution was adjusted to 10 using a solution of 1.0 mol L-1 NaOH under vigorous stirring at room temperature. Subsequently, the as-synthesized LaFeO3/MCF support was added and the pH value was controlled at 10 by the further addition of NaOH solution. The mixed solution was stirred for an additional 2 h in an 80 \u00b0C water bath. Finally, the precipitates were separated by centrifugation and washed several times with deionized water. The product was dried at 50 \u00b0C in vacuum overnight to obtain Au loaded LaFeO3/MCF pre-catalysts."
+ }
+ ],
+ "Direct-aerobic-oxidative-homocoupling-of-benzene-to-biphenyl-over-functional-porous-organic-polymer-supported-atomically-dispersed-palladium-catalyst": [
+ {
+ "id": 401,
+ "sac_id": "Atom: Pd\nSupport Material: PDS\nSynthesis Method: Solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: PDS\n\n",
+ "predicted": "Precursor synthesis: 2.0 mmol of palladium(II) acetylacetonate (Pd(acac)2, 99.9%, Alfa Aesar) was dissolved in 10 mL of anhydrous acetic acid.\nFusion reduction synthesis: The above solution was then added to 1.0 g of PDS and mixed with 5 mL of anhydrous ethanol under stirring at room temperature for 3 h. After that, the mixture was heated to 80 \u00b0C for 4 h. Subsequently, the mixture was cooled down naturally to room temperature, and finally obtained by centrifugation and drying.",
+ "ground_truth": "SAC synthesis: Pd(II) loaded sample Pd(II)@PDM was prepared similarly to Pd(II)@PDMS, using PDM as the support material instead of PDMS."
+ },
+ {
+ "id": 402,
+ "sac_id": "Atom: Pd\nSupport Material: PDMS\nSynthesis Method: Solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: PDMS\n\n",
+ "predicted": "Precursor synthesis: 2.5 mg of Pd(acac)2 was dissolved in a mixture of ethanol (1 mL) and toluene (1 mL). After stirring for 30 min, the resulting solution was added to PDMS (1 g) by hand stirring. The solvent was evaporated at 45 \u00b0C under vacuum for 1 h. Finally, the powder was annealed at 120 \u00b0C for 8 h to remove any residual solvent or volatile species.\n\nCRF synthesis: A mixture of CuCl2\u00b72H2O (0.06 mmol), Pd(acac)2 (0.02 mmol), ZnCl2 (0.14 mmol), and 1,4-benzenedicarboxylic acid (0.09 mmol) was dispersed in DMF (10 mL). Then, the solution was stirred for 30 min and transferred into a Teflon-lined autoclave and heated at 120 \u00b0C for 12 h. After cooling down to room temperature, the product was separated by Soxhlet extraction with DMF for purification. Finally, the product was obtained after drying at 70 \u00b0C under vacuum for 12 h.\n\nElectrocatalytic test: A three-electrode system was used for electrochemical measurements in N2-saturated 0.5 M H2SO4 electrolyte at room temperature. CRF-2.5 was loaded onto GC stone (1 cm \u00d7 3 cm) by a drop-dry method. The mass loading of CRF-2.5 is about 0.1 mg cm^-2. A Ag/AgCl electrode, graphite rod, and CRF-2.5 loaded GC stone were used as the reference, counter, and working electrodes, respectively. Linear sweep voltammetry (LSV) was performed from 0.10 to -0.30 V vs RHE with a scan rate of 5 mv s^-1. Chronoamperometry (CA) was carried out at -0.20 V vs RHE. All potentials reported in this work were converted from the potentials measured against the Ag/AgCl electrode to those relative to the reversible hydrogen electrode (RHE) by E (vs RHE) = E (vs Ag/AgCl) + 0.197 + 0.059 pH, where pH = -0.0601V (vs Ag/AgCl) + 14.00.",
+ "ground_truth": "SAC synthesis: Pd(II) loaded sample Pd(II)@PDM was prepared similarly to Pd(II)@PDMS, using PDM as the support material instead of PDMS."
+ },
+ {
+ "id": 403,
+ "sac_id": "Atom: Pd\nSupport Material: PDAS\nSynthesis Method: Solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: PDAS\n\n",
+ "predicted": "Precursor synthesis: 1,3,5-tris(4-aminophenyl)benzene (TAPB) was dissolved in DMF at a concentration of 0.2 g L -1 and stirred for 6 h at room temperature to form a homogeneous solution. The solution was then transferred into Teflon reactors with an inner volume of 20 mL and sealed inside stainless steel autoclaves. A piece of PDAS support was immersed into the solution before the reactors were heated in an oven at 180 \u00b0C for 72 h. After cooling down to room temperature, the support with the polymer precursor adsorbed on its surface was washed thoroughly using hot deionized water (90 \u00b0C), followed by washing with ethanol and drying at 80 \u00b0C overnight.\n\nMetal impregnation: The metal precursors of Pd(NH3)4Cl2 were dissolved in deionized water to prepare a Pd solution with a desired concentration. The as-prepared polymer supported catalyst (Pd/PDAS) was dispersed in the Pd solution and aged for 12 h at room temperature. Subsequently, the catalyst was filtered, washed with deionized water, and dried at 80 \u00b0C overnight.\n\nSulfidation: Sulfiding of the catalysts was carried out in a quartz tube reactor under flow conditions of H2/H2S (10/1 in vol.%) at 350 \u00b0C for 4 h. The catalyst weight was 10 mg loaded in a fixed bed reactor with a gas flow rate of 30 ml min -1. The sulfided catalyst was denoted as Pd/PDAS-S.",
+ "ground_truth": "SAC synthesis: Pd(II) loaded sample Pd(II)@PDM was prepared similarly to Pd(II)@PDMS, using PDM as the support material instead of PDMS."
+ },
+ {
+ "id": 404,
+ "sac_id": "Atom: Pd\nSupport Material: PDM\nSynthesis Method: Solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: PDM\n\n",
+ "predicted": "Precursor synthesis: 2.0 mmol palladium nitrate and 16.0 mmol 2,6-diaminopyridine were dissolved in 30 mL deionized water at room temperature. The as-obtained clear solution was transferred into a Teflon-lined stainless steel autoclave and heated at 180 \u00b0C for 4 h. After cooling to room temperature, the solid products were collected by centrifugation and washed with water and ethanol several times. Briefly, 0.5 g of Pd@PDM was added into 100 mL of anhydrous ethanol solution containing 0.75 g of NaBH4. The mixture was stirred continuously at room temperature for 12 h under Ar protection. Then, the precipitate was collected by centrifugation and washed with ethanol several times. The obtained Pd@PDM-B was dried at 60 \u00b0C overnight. Synthesizing Pd nanoparticles supported on PDM with different borane amounts: 0.5 g of Pd@PDM was weighed and added into 100 mL of anhydrous ethanol solution containing various amounts of NaBH4 (0.25 g, 0.5 g, 1.0 g, and 1.5 g). The mixture was stirred continuously at room temperature for 12 h under Ar protection. After reaction, the precipitate was collected by centrifugation and washed with ethanol several times. Finally, the Pd@PDM-B samples were obtained after drying at 60 \u00b0C overnight. Isolating Pd nanoparticles: 0.5 g of Pd@PDM-B was added into 100 mL of anhydrous ethanol solution containing 1.5 g of KI. The mixture was stirred continuously at room temperature for 12 h under Ar protection. After reaction, the precipitate was collected by centrifugation and washed with ethanol several times. Subsequently, the Pd@PDM-B-KI sample was treated with 100 mL of anhydrous ethanol solution containing 1.0 M NaOH for 12 h. After washing and drying, the Pd@PDM-B-NaI sample was obtained.",
+ "ground_truth": "SAC synthesis: Pd(II) loaded sample Pd(II)@PDM was prepared similarly to Pd(II)@PDMS, using PDM as the support material instead of PDMS."
+ }
+ ],
+ "Novel-lignin-based-single-atom-catalysts-as-peroxymonosulfate-activator-for-pollutants-degradation:-Role-of-single-cobalt-and-electron-transfer-pathway": [
+ {
+ "id": 405,
+ "sac_id": "Atom: Co\nSupport Material: Nitrogen-doped carbon (N/C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Nitrogen-doped carbon (N/C)\n\n",
+ "predicted": "Precursor synthesis: 0.28 g of cobalt nitrate hexahydrate was dissolved in 10 mL of methanol and then added to 10 mL of methanol containing 1.36 g of 2-methylimidazole under stirring. The solution was transferred into a 50 mL Teflon-lined autoclave and heated at 45 \u00b0C for 4 h. After cooling, the purple powder was collected by centrifugation, washed with ethanol three times, and dried in an oven at 70 \u00b0C overnight.\n\nSynthesis of ZIF-8/Co-ZIF@ZIF core shell structure: 0.1 g of as-prepared Co-MOF was dispersed in 15 mL of methanol under sonication. Then, 0.12 g of 2-methylimidazole in 5 mL methanol was slowly added to form a purple suspension. The suspension was stirred at room temperature for 1 h and then further stirred after adding 0.09 g of Zn(NO3)2\u00b76H2O in 2 mL methanol. After stirring overnight, the purple powder was collected by centrifugation, washed with ethanol three times, and dried in an oven at 70 \u00b0C overnight.\n\nPyrolysis: The as-obtained ZIF-8/Co-ZIF@ZIF powders were placed in a tube furnace and heated to 900 \u00b0C at a rate of 5 \u00b0C min\u22121 under flowing Ar gas for 3 h. After cooling, the black powder was leached in 2 M HCl solution at 80 \u00b0C for 6 h to remove Zn elements. The product was washed with deionized water until the filtrate became neutral, followed by alcohol washing and drying. The obtained sample is denoted as Co/NC-900.\n\nDoping of phosphorus: 0.05 g of Co/NC-900 powder was dispersed in 5 mL of ethanol containing 0.05 g of NaH2PO3. The mixture was stirred at room temperature for 2 h and then dried in an oven at 70 \u00b0C overnight. Finally, the black powder was calcined at 900 \u00b0C for 1 h under Ar atmosphere. The product was named P-Co/NC-900.",
+ "ground_truth": "Precursor synthesis: 4.0 g lignin was first dissolved in 500 mL deionized water and then added certain amount of cobalt(II) acetate (2, 4, 8, 16, 24, 40 mM) and zinc nitrate (2, 4, 8, 16, 24, 40 mM). After stirring for an hour, put the mixed liquor stand still to form Co/Zn-lignin complex during about 10 h of aging. Next, the obtained complex was separated from liquor and dry at 80 \u2103 for 12 h. Co atoms can be spatially separated by zinc atoms, thus effectively enlarging the spatial distances between the Co atoms [29]. Thereafter, certain amounts of dicyandiamide (according to the dried solids of obtained complexes with different Co loadings) were further mixed with the respective dried solids and placed on the combustion boat. SAC synthesis: The as-made precursor was pyrolized in a tube furnace at temperature of 550 \u2103 for 1 h and then at 1000 \u2103 for another hour under the nitrogen atmosphere (heating rate: 5 \u00b7 C/min). The Zn atoms will then evaporate during the pyrolysis, leaving the atomically distributed Co atoms on the carbon matrices [29]. After cooling, the resulting catalyst was washed with deionized water and ethanol repeatedly. It was then collected after drying in an oven. (Fig. 1a). The SACs obtained at different amounts of cobalt(II) acetate (2, 4, 8, 16, 24, 40 mM) were named as SA Co (2)-N/C, SA Co (4)-N/C, SA Co (8)-N/C, SA Co (16)-N/C, SA Co (24)-N/C, and SA Co (40)-N/C, respectively."
+ }
+ ],
+ "Competitive-adsorption-on-single-atom-catalysts:-Mechanistic-insights-into-the-aerobic-oxidation-of-alcohols-over-Cosingle-bondNsingle-bond": [
+ {
+ "id": 406,
+ "sac_id": "Atom: Co\nSupport Material: Graphite sheets (Co@Graphite sheets)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Organic\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Graphite sheets (Co@Graphite sheets)\n\n",
+ "predicted": "Precursor synthesis: The Co@graphite sheets were prepared by the electrochemical exfoliation method. [1] Briefly, 0.5 g of CoCl2\u00b76H2O was dissolved in 10 mL of water and then a piece of graphite powder (0.3 g) was added into this solution with stirring for 4 h. After that, the mixture was transferred to an ice bath and kept for 30 min with stirring. A piece of cotton cloth (1 \u00d7 1 cm) was immersed into the mixture as anode. Before electrochemical exfoliation, the cotton cloth-loaded Co precursors should be well cleaned and dried at 80 \u00b0C for overnight.\n\nThe electrochemical exfoliation process was carried out on a two-electrode system with a carbon rod (1 \u00d7 1 cm) as cathode and the cotton cloth-loaded Co precursors as anode. The distance between two electrodes is about 3 cm. The cell was connected to a power supply with a voltage of 7 V. After 10 min, the cotton cloth-loaded Co precursors were removed from the anode and washed several times with deionized water. Then the Co precursors were dried at 80 \u00b0C for overnight.\n\nFinally, the Co precursors were annealed at 900 \u00b0C under Ar flow (100 sccm) for 2 h to obtain the Co@graphite sheets.\n\nElectrocatalytic test: The electrocatalytic performance of the prepared samples was evaluated using a CHI 760E workstation (Shanghai Chenhua Instruments Co., Ltd.). A three-electrode system was used for the linear sweep voltammetry (LSV), cyclic voltammetry (CV) and electrochemical impedance spectroscopy (EIS). An Ag/AgCl electrode was used as reference electrode, a carbon rod was used as counter electrode, and the working electrode was prepared by dropping 5 \u03bcL of sample suspension onto carbon paper (0.1 cm \u00d7 0.2 cm). The loading amount of the sample is about 0.1 mg cm^-2. The solution used for the electrocatalytic test is 0.1 M KOH with different concentrations of CO2. Ultrasonic treatment was performed before use. The LSV was conducted from 0.2 to -0.6 V vs. RHE with a scan rate of 1 mV s^-1. The CV was run in the range of 0.2 to -0.6 V vs. RHE with a scan rate of 50 mV s^-1. The EIS was measured at an open circuit potential with an AC amplitude of 5 mV. The chronopotentiometry (CP) curves were obtained by applying a constant current density of -1.0 mA cm^-2. All potentials reported in this work were converted to the reversible hydrogen electrode scale (RHE) by the following equation: E(RHE) = E(vs. Ag/AgCl) + 0.197 V + 0.0591 pH V.(1)",
+ "ground_truth": "Precursor synthesis: The synthesis of cobalt(II) tetraphenylporphyrin (Co/TPP) is described in the Supporting Information.\nSAC synthesis: The CoNC catalysts were prepared as follows. First, 5 g of glucose, 10 g of NH4Cl, and 5 g of Co(NO3)2\u00b76H2O were dissolved in 50 ml of water. Then the solution was stewed in an oven at 180 \u00b0C for 12 h to dehydrate glucose slowly [37]. After being cooled to room temperature, the mixture was collected and ground. The obtained powder, denoted as CoNC, was heated to 800 \u00b0C at a ramp rate of 4.5 \u00b0C min^-1 and kept for 2 h in Ar. For comparison, NC was prepared in a similar way without Co(NO3)2\u00b76H2O. Next, the CoNC was thoroughly washed with 6 M hydrochloric acid at room temperature for 6 h and then was filtered and washed with DI water several times. After being dried at 60 \u00b0C overnight, the obtained powder was denoted as CoNC-H. Then the CoNC-H was annealed at 500-900 \u00b0C for 2 h under Ar. The resulting sample was denoted as CoNC-HT, where T represents the annealing temperature. Next, the CoNC-HT was treated by pickling again, denoted as CoNC-HT-H. If it was annealed again, the sample was denoted as CoNC-[HT]2. The synthesis offers a high yield of carbon, up to 65%. Typically, 1.3 g CoNC-H-800 can be obtained in one synthesis, allowing facile mass production."
+ }
+ ],
+ "Photoexcited-single-metal-atom-catalysts-for-heterogeneous-photocatalytic-H2O2-production:-Pragmatic-guidelines-for-predicting-charge-separation": [
+ {
+ "id": 407,
+ "sac_id": "Atom: In\nSupport Material: Polymeric carbon nitride (PCN)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: In\nSupport Material: Polymeric carbon nitride (PCN)\n\n",
+ "predicted": "Precursor synthesis: Carbon nitride (PCN) was prepared by a facile thermal polymerization method. Typically, urea (2 g) and melamine (2 g) were mixed together and annealed at 550 \u00b0C for 4 h in a muffle furnace with a heating rate of 5 \u00b0C/min.\n\nIn doping: For the preparation of PCN-In samples, 100 mg of pristine PCN was dispersed into 50 ml of isopropanol under ultrasonication for 30 min. Then, 1.67 ml of In(NO3)3\u00b7xH2O aqueous solution (1 M) was added to the above solution under stirring for another 30 min. Subsequently, the mixture was transferred into a 100 ml Teflon-lined autoclave and heated at 180 \u00b0C for 12 h. After cooling to room temperature, the resulting precipitate was centrifuged and washed with deionized water several times and dried at 60 \u00b0C overnight.\n\nPhotocatalytic H2 evolution test: The photocatalytic H2 generation experiments were carried out using a 300 W Xe light equipped with an AM 1.5 filter (Persee). A gas collection system was used to collect the generated hydrogen gas. Before testing, the sample (10 mg) was dispersed into deionized water (30 ml), and the suspension was purged with Ar gas for 30 min to remove the air in the reaction system. Then, the sample dispersion was irradiated with Xe lamp, and the generated hydrogen was collected by a gas tight syringe after 6 h irradiation.",
+ "ground_truth": "Pristine polymeric carbon nitride (PCN) was prepared by calcination of 4 g dicyandiamide at 560 \u00b0C in N2 for 4 h. First, 1 mmol InCl3\u00b74H2O was dissolved into ethanol solution with sonification treatment for 60 min. Then, 4 g dicyandiamide was dispersed into solution by sonification for another 60 min. After that, the solution was removed by a vacuum evaporator, and the as-obtained powders were dried in a vacuum oven at 60 \u00b0C for 4 h. The metal ion-dispersed In-SAPCs were prepared by calcinating the obtained mixture at 560 \u00b0C in N2 for 4 h. The as-prepared In-SAPCs were washed in the 2% (v/v) HCl at 80 \u00b0C for 24 h to remove the unfixed metal species such as nanoparticles."
+ },
+ {
+ "id": 408,
+ "sac_id": "Atom: Sn\nSupport Material: Polymeric carbon nitride (PCN)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Sn\nSupport Material: Polymeric carbon nitride (PCN)\n\n",
+ "predicted": "Precursor synthesis: Carbon nitride was prepared by the thermal polymerization of melamine in a muffle furnace at 550 \u00b0C for 4 h with a ramping rate of 5 \u00b0C/min.\n\nSN@PCN preparation: For the SN@PCN-A samples, 1 g of carbon nitride and 2 mmol of SnCl2\u00b72H2O were added to 30 mL of deionized water under ultrasonication for 15 min. The suspension was stirred vigorously for another 6 h at room temperature, followed by centrifugation at 8000 rpm for 5 minutes. The obtained precipitates were then dried overnight in an oven at 70 \u00b0C. Finally, the dried powder was ground into fine powder and used as photocatalysts without any further treatment. For SN@PCN-B samples, 1 g of carbon nitride and 2 mmol of SnCl2\u00b72H2O were added to 30 mL of ethanol under ultrasonication for 15 min. The suspension was stirred vigorously for another 6 h at room temperature, followed by centrifugation at 8000 rpm for 5 minutes. The obtained precipitates were then dried overnight in an oven at 70 \u00b0C. Finally, the dried powder was ground into fine powder and used as photocatalysts without any further treatment.",
+ "ground_truth": "Pristine polymeric carbon nitride (PCN) was prepared by calcination of 4 g dicyandiamide at 560 \u00b0C in N2 for 4 h. First, 1 mmol SnCl4\u00b75H2O was dissolved into ethanol solution with sonification treatment for 60 min. Then, 4 g dicyandiamide was dispersed into solution by sonification for another 60 min. After that, the solution was removed by a vacuum evaporator, and the as-obtained powders were dried in a vacuum oven at 60 \u00b0C for 4 h. The metal ion-dispersed Sn-SAPCs were prepared by calcinating the obtained mixture at 560 \u00b0C in N2 for 4 h. The as-prepared Sn-SAPCs were washed in the 2% (v/v) HCl at 80 \u00b0C for 24 h to remove the unfixed metal species such as nanoparticles."
+ },
+ {
+ "id": 409,
+ "sac_id": "Atom: Fe\nSupport Material: Polymeric carbon nitride (PCN)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Polymeric carbon nitride (PCN)\n\n",
+ "predicted": "Precursor synthesis: Carbon nitride was prepared by a facile thermal polymerization of melamine in air at 550 \u00b0C for 4 h.\n\nCN preparation: Typically, melamine (2 g) was dispersed into 30 mL of deionized water containing 1 mg of FeCl\u2083\u00b76H\u2082O under vigorous stirring to obtain a homogeneous suspension. The water was then evaporated at 80 \u00b0C, and the obtained solid powder was calcined at 550 \u00b0C for 4 h with a heating rate of 2 \u00b0C min\u207b\u00b9. After cooling down to room temperature, the product was collected and denoted as Fe/CN.\n\nFe nanoparticles loading on PCN: To load Fe nanoparticles onto PCN, the Fe/CN sample was further reduced with H\u2082 gas at 300 \u00b0C for 2 h. The resulting sample is referred to as Fe NP /CN.",
+ "ground_truth": "Pristine polymeric carbon nitride (PCN) was prepared by calcination of 4 g dicyandiamide at 560 \u00b0C in N2 for 4 h. First, 1 mmol FeCl3\u00b76H2O was dissolved into ethanol solution with sonification treatment for 60 min. Then, 4 g dicyandiamide was dispersed into solution by sonification for another 60 min. After that, the solution was removed by a vacuum evaporator, and the as-obtained powders were dried in a vacuum oven at 60 \u00b0C for 4 h. The metal ion-dispersed Fe-SAPCs were prepared by calcinating the obtained mixture at 560 \u00b0C in N2 for 4 h. The as-prepared Fe-SAPCs were washed in the 2% (v/v) HCl at 80 \u00b0C for 24 h to remove the unfixed metal species such as nanoparticles."
+ },
+ {
+ "id": 410,
+ "sac_id": "Atom: Co\nSupport Material: Polymeric carbon nitride (PCN)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Polymeric carbon nitride (PCN)\n\n",
+ "predicted": "Precursor synthesis: Carbon nitride was prepared by a facile thermal polymerization of melamine in air at 550 \u00b0C for 4 h.\n\nMN@PCN synthesis: A certain amount of melamine (0.2 g) and manganese acetate (0.036 g) were dissolved in ethanol (40 mL), and the mixture was stirred at room temperature until completely dissolved. The mixture was then evaporated to drynenss under 60 \u00b0C. The resulting solid was ground and heated to 550 \u00b0C with a rate of 5 \u00b0C min -1 in air and maintained for 4 h, followed by cooling down to room temperature naturally. The obtained product was denoted as MN@PCN.",
+ "ground_truth": "Pristine polymeric carbon nitride (PCN) was prepared by calcination of 4 g dicyandiamide at 560 \u00b0C in N2 for 4 h. First, 1 mmol CoCl2\u00b76H2O was dissolved into ethanol solution with sonification treatment for 60 min. Then, 4 g dicyandiamide was dispersed into solution by sonification for another 60 min. After that, the solution was removed by a vacuum evaporator, and the as-obtained powders were dried in a vacuum oven at 60 \u00b0C for 4 h. The metal ion-dispersed Co-SAPCs were prepared by calcinating the obtained mixture at 560 \u00b0C in N2 for 4 h. The as-prepared Co-SAPCs were washed in the 2% (v/v) HCl at 80 \u00b0C for 24 h to remove the unfixed metal species such as nanoparticles."
+ },
+ {
+ "id": 411,
+ "sac_id": "Atom: Ni\nSupport Material: Polymeric carbon nitride (PCN)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Polymeric carbon nitride (PCN)\n\n",
+ "predicted": "Precursor synthesis: Carbon nitride was prepared by the thermal polymerization of melamine in a muffle furnace at 520 \u00b0C for 4 h with a ramping rate of 5 \u00b0C/min.\n\nNi-N3/PCN synthesis: For the preparation of Ni-N3/PCN, 1 g of carbon nitride and 1 mmol of nickel acetate tetrahydrate were dispersed in 50 mL of ethanol and sonicated for 1 h to obtain a homogeneous mixture. The suspension was then stirred under reflux at 70 \u00b0C for 6 h. After that, the obtained sample was dried at 80 \u00b0C overnight and calcined at 500 \u00b0C for 2 h under an argon atmosphere with a ramping rate of 5 \u00b0C/min.",
+ "ground_truth": "Pristine polymeric carbon nitride (PCN) was prepared by calcination of 4 g dicyandiamide at 560 \u00b0C in N2 for 4 h. First, 1 mmol NiCl2\u00b76H2O was dissolved into ethanol solution with sonification treatment for 60 min. Then, 4 g dicyandiamide was dispersed into solution by sonification for another 60 min. After that, the solution was removed by a vacuum evaporator, and the as-obtained powders were dried in a vacuum oven at 60 \u00b0C for 4 h. The metal ion-dispersed Ni-SAPCs were prepared by calcinating the obtained mixture at 560 \u00b0C in N2 for 4 h. The as-prepared Ni-SAPCs were washed in the 2% (v/v) HCl at 80 \u00b0C for 24 h to remove the unfixed metal species such as nanoparticles."
+ }
+ ],
+ "Insight-into-the-electrochemical-cycling-activation-of-Pt-molybdenum-carbide-toward-synergistic-hydrogen-evolution-catalysis": [
+ {
+ "id": 412,
+ "sac_id": "Atom: Pt\nSupport Material: \u03b2-Mo2C\nSynthesis Method: Electrochemical\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: \u03b2-Mo2C\n\n",
+ "predicted": "Precursor synthesis: The \u03b2-Mo2C was prepared by the same method as MoO3@\u03b2-Mo2C but without annealing process.\nAnnealing process: For the preparation of MoO3@\u03b2-Mo2C, 1 g of \u03b2-Mo2C and 0.5 mL of H2PtCl6 solution (0.01 mol L\u22121) were added into 50 mL of a mixed solution containing 10 mL of NaOH (1 mol L\u22121) and 40 mL of water. Then the mixture was stirred for 0.5 h, followed by aging for 2 h at room temperature and then centrifuged to collect the products. Finally, the precipitate was washed with deionized water and ethanol three times and dried in air. The obtained product is named MoO3@\u03b2-Mo2C-Pt. Briefly, 0.01 mol L\u22121 of H2PtCl6 solution (0.5 mL) was dropped into the \u03b2-Mo2C dispersed solution (1 g \u03b2-Mo2C dispersed in 50 mL of water), followed by stirring for 0.5 h and then left undisturbed for a while until PtCl4+ ions were adsorbed onto the surface of \u03b2-Mo2C. Subsequently, the precipitate was collected by centrifugation, washed with deionized water and ethanol three times and dried in air.",
+ "ground_truth": "Precursor synthesis: No explicit precursor syntheses are provided in the text.\nSAC synthesis: The as-prepared Mo2C/CFP (CFP, carbon fiber paper) is a self-supported catalyst with 3D morphology. Mo2C/CFP was effectively activated after 5000 LSV cycles of activation with a Pt wire as the counter electrode. Mo2C was first transformed into MoO3^2- by two-step reactions in the cathode, and then the as-formed MoO3^2- group can migrate to the anode, forming a MoO3 coating by oxidation reaction. Pt atoms are dispersed into the Mo2C matrix in Mo2C/CFP-Act."
+ }
+ ],
+ "3D-star-like-atypical-hybrid-MOF-derived-single-atom-catalyst-boosts-oxygen-reduction-catalysis": [
+ {
+ "id": 413,
+ "sac_id": "Atom: Co\nSupport Material: Nitrogen-doped porous carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Nitrogen-doped porous carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,3,5-Tris(4-aminophenyl)benzene (50 mg) and cobalt nitrate hexahydrate (89.6 mg) were dispersed in ethanol (20 mL), followed by stirring for 2 h to form a homogeneous solution. The solution was transferred into a Teflon-lined stainless-steel autoclave, which was sealed and maintained at 100 \u00b0C for 10 h. After cooling to room temperature, the black precipitate was collected by centrifugation, washed with deionized water and ethanol several times, and dried in vacuum at 70 \u00b0C for 12 h.\nNitrogen doping: The as-prepared Co-MOF powder was heat-treated at 900 \u00b0C for 3 h under a flow of Ar/NH3 (ratio of 1:1). The obtained product was denoted as Co-N-C.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, Zn(NO3)2\u00b76H2O (0.594 g), cetyltrimethylammonium bromide (CTAB) (10 mg) and certain amount of Co(NO3)2\u00b76H2O (0, 29 and 290 mg) were dissolved in 20 mL deionized water, and stirred to form a clear solution (solution A). Meantime, 2-methylimidazole (MeIM) (4.5 g) was dissolved in 80 mL deionized water and stirred to form a clear solution (solution B). Subsequently, the solution A was quickly poured into solution B, and then stirred under room temperature for 3 h, producing the pink precipitate after 10 min. The precipitate was centrifuged with distilled water and ethanol for three times, and dried at 60 \u00b0C for 6 h. ZIF-L is a two-dimensional layered Zeolitic Imidazolate Framework (ZIF) consists of Zn metal ions and 2-methylimidazole (2-MeIm) molecules, which are the same building blocks as ZIF-8. Unlike ZIF-8, the two neighboring two-dimensional layers in ZIF-L are bridged by hydrogen bonds instead of 2-MeIm molecules.\nSAC synthesis: The Co0-N-C, CoSA-N-C and CoNP-N-C were prepared by the temperature-programmed procedure. The power of star-like MOF precursors was transferred into a ceramic boat and placed in a tube furnace. The sample was heated to 910 \u00b0C with a heating rate of 5 \u00b0C min\u22121 and kept at 910 \u00b0C for 2 h under flowing argon gas and then naturally cooled to room temperature."
+ }
+ ],
+ "Controlled-synthesis-of-single-cobalt-atom-catalysts-via-a-facile-one-pot-pyrolysis-for-efficient-oxygen-reduction-and-hydrogen-evolution-reactions": [
+ {
+ "id": 414,
+ "sac_id": "Atom: Co\nSupport Material: Nitrogen-doped carbon (N/C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Nitrogen-doped carbon (N/C)\n\n",
+ "predicted": "Precursor synthesis: 0.28 g of cobalt nitrate hexahydrate was dissolved in 10 mL of methanol and then added to 10 mL of methanol containing 1.36 g of 2-methylimidazole under stirring. The solution was transferred into a 50 mL Teflon-lined autoclave and heated at 45 \u00b0C for 4 h. After cooling, the purple powder was collected by centrifugation, washed with ethanol three times, and dried in an oven at 70 \u00b0C overnight.\n\nSynthesis of ZIF-8/Co-ZIF@ZIF core shell structure: 0.1 g of as-prepared Co-MOF was dispersed in 15 mL of methanol under sonication. Then, 0.12 g of 2-methylimidazole in 5 mL methanol was slowly added to form a purple suspension. The suspension was stirred at room temperature for 1 h and then further stirred after adding 0.09 g of Zn(NO3)2\u00b76H2O in 2 mL methanol. After stirring overnight, the purple powder was collected by centrifugation, washed with ethanol three times, and dried in an oven at 70 \u00b0C overnight.\n\nPyrolysis: The as-obtained ZIF-8/Co-ZIF@ZIF powders were placed in a tube furnace and heated to 900 \u00b0C at a rate of 5 \u00b0C min\u22121 under flowing Ar gas for 3 h. After cooling, the black powder was leached in 2 M HCl solution at 80 \u00b0C for 6 h to remove Zn elements. The product was washed with deionized water until the filtrate became neutral, followed by alcohol washing and drying. The obtained sample is denoted as Co/NC-900.\n\nDoping of phosphorus: 0.05 g of Co/NC-900 powder was dispersed in 5 mL of ethanol containing 0.05 g of NaH2PO3. The mixture was stirred at room temperature for 2 h and then dried in an oven at 70 \u00b0C overnight. Finally, the black powder was calcined at 900 \u00b0C for 1 h under Ar atmosphere. The product was named P-Co/NC-900.",
+ "ground_truth": "Precursor synthesis: Urea, glucose, and CoCl2\u00b76H2O were mixed in a 50 mL beaker with ethanol (30 mL). After ultrasonic stirring for 5 min, the homogeneous solution was transferred into an oven at 60 \u00b0C for 8 h until the ethanol was completely evaporated. Then, the recrystallized solid was ball-milled at 700 r/min for 0.5 h to obtain the catalyst precursor.\nSAC synthesis: The obtained precursor was introduced into a tube furnace and pyrolyzed under a N2 atmosphere at 800 \u00b0C for 60 min with a heating rate of 10 \u00b0C/min. After cooling to room temperature under nitrogen atmosphere, the catalyst Co-N/C was acquired. The mass ratio of urea to glucose was 60:1 and that of organics (total mass of urea and glucose) and metal salt (CoCl2\u00b76H2O) was 240:1."
+ }
+ ],
+ "In-situ-polymerization-induced-atomically-dispersed-manganese-sites-as-cocatalyst-for-CO2-photoreduction-into-synthesis-gas": [
+ {
+ "id": 415,
+ "sac_id": "Atom: Mn\nSupport Material: Nitrogen-doped carbon (N-doped carbon)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Mn\nSupport Material: Nitrogen-doped carbon (N-doped carbon)\n\n",
+ "predicted": "Precursor synthesis: 1,3-dicyanobenzene and manganese(II) chloride were used as precursors.\nSynthesis: In a typical procedure, 1,3-dicyanobenzene (0.25 mmol), manganese(II) chloride (0.75 mmol), and ZnCl2 (0.75 mmol) were added to dimethylformamide (DMF, 6 mL). The mixture was transferred into a Teflon-lined stainless steel autoclave and heated at 180 \u00b0C for 48 h. After cooling down to room temperature, the black product was collected by centrifugation, washed with ethanol several times, and dried in vacuum at 80 \u00b0C overnight.\nSensing mechanism: Cope reaction of the ene-yne unit on the Co/Mn carbene complex leads to the formation of a radical intermediate, which can be detected by electron paramagnetic resonance (EPR) spectroscopy. This radical species is further reduced by the second Mn center to generate a di-radical species that can be observed by nuclear magnetic resonance (NMR) spectroscopy. The di-radical species then undergoes oxidative coupling upon exposure to air or oxygen, resulting in the formation of graphitic carbon nitride (g-C3N4) nanoparticles.",
+ "ground_truth": "Precursor synthesis: MnO2 is used directly as the precursor.\nSAC synthesis: Herein, we report that atomically dispersed Mn single atoms on nitrogen doped carbon can be constructed via an in-situ polymerization strategy from manganese dioxide (MnO2). Different from traditional methods in which specific metal salts and pre-synthesized conducting polymers are employed as precursors, our approach chooses cheap metal oxides as precursor and metal atoms are extracted and doped into polymer by an in-situ polymerization process in one step, which simplifies traditional tedious syntheses procedures. In this process, the MnO2 plays multiple roles as polymerization initiator, sacrificial template, and metal source. First, in-situ polymerization of pyrrole monomers, which is initiated by MnO2, can directly extract Mn atoms from MnO2. Due to Lewis acid-base interaction between Mn and nitrogen atoms on polypyrrole, the Mn atoms are simultaneously doped into polypyrrole network, effectively and homogeneously. Second, after proper pyrolysis, the Mn containing polypyrrole is converted into nitrogen doped carbon with atomically dispersed Mn -N4 sites. The as-obtained Mn containing polypyrrole was then pyrolyzed at 900 \u00b0C under inert atmosphere. As shown in the PXRD pattern in Fig. S1, except the broad peak at c.a. 26\u00b0 for graphitic carbon, no peaks for Mn related crystalline species can be observed. Raman spectrum in Fig. S2 shows the representative defect (1350 cm\u207b\u00b9) and graphitic bands (1585 cm\u207b\u00b9) for carbon materials, indicating the polypyrrole is converted to carbon-based material."
+ }
+ ],
+ "Molten-salt-assisted-thermal-emitting-method-to-transform-bulk-Fe2O3-into-Fe-single-atom-catalysts-for-oxygen-reduction-reaction-in-Zn-air-battery": [
+ {
+ "id": 416,
+ "sac_id": "Atom: Co\nSupport Material: Nitrogen-doped porous carbon (Z8NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Nitrogen-doped porous carbon (Z8NC)\n\n",
+ "predicted": "Precursor synthesis: 0.1 g Zn(NO3)2\u00b76H2O and 0.4 g 2-methylimidazole were dissolved in 50 mL methanol, respectively. The above two solutions were mixed and stirred for 5 h at room temperature. The white precipitates were centrifuged and washed with methanol three times. After drying under vacuum at 70 \u00b0C overnight, the as-obtained product was calcined at 900 \u00b0C for 2 h under argon flow (50 mL min-1) with a heating rate of 5 \u00b0C min-1). The final product was named as ZIF-8.\n\nSynthesis of Z8NC: A certain amount of ZIF-8 powder was transferred into an aluminum oxide crucible with a cover, placed in a tube furnace, and heated to 900 \u00b0C for 2 h at 5 \u00b0C min-1 under an argon flow (50 mL min-1). After cooling down to room temperature, the pale yellow powder was obtained and named as Z8NC.\n\nCo deposition: 40 mg Z8NC was dispersed in 20 mL ethanol and 2 mL CO(NH2)2 solution (4 M) under sonication for 30 min. Then, 20 \u03bcL CoCl2\u00b76H2O (20 mg mL-1) ethanol solution was added dropwise into the above solution and stirred for 24 h at room temperature. The black powder was collected by filtration and washed with ethanol and water three times, followed by drying under vacuum at 70 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: ZIF-8 preparation is described in the Supporting Information.\nSAC synthesis: The synthetic procedures of Co-Z8NC & NaCl were similar to Fe-Z8NC & NaCl, except Co2O3 (300 mg) was used instead of Fe2O3."
+ },
+ {
+ "id": 417,
+ "sac_id": "Atom: Fe\nSupport Material: Nitrogen-doped porous carbon (Z8NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Nitrogen-doped porous carbon (Z8NC)\n\n",
+ "predicted": "Precursor synthesis: 0.2 g Zn(NO3)2\u00b76H2O and 0.4 g 2-methylimidazole were dissolved in 15 mL methanol, respectively. The above two solutions were mixed and stirred for 5 h at room temperature. The white precipitate was collected by centrifugation, washed with methanol three times, and dried at 70 \u00b0C overnight to obtain ZIF-8. 100 mg ZIF-8 powder was calcined at 900 \u00b0C for 2 h in a tube furnace under Ar flow with a heating rate of 5 \u00b0C min -1 to obtain nitrogen-doped porous carbon (Z8NC).\nSynthesis of Fe-N-C cathodes: Typically, 80 wt% sulfur, 10 wt% Z8NC, and 10 wt% Fe foil were weighed and ground into slurry using methanol as the medium. The obtained slurry was loaded into a petri dish and dried in an oven at 60 \u00b0C overnight. The resulting mixture was uniaxially pressed into a precursor with a thickness of about 1 mm. Finally, the sample was sealed in a glass tube and heated to 155 \u00b0C for 2 h to complete the carbonization process.",
+ "ground_truth": "Precursor synthesis: ZIF-8 preparation is described in the Supporting Information.\nSAC synthesis: The synthetic procedures of Fe-Z8NC were similar to Fe-Z8NC & NaCl except the lack of NaCl."
+ },
+ {
+ "id": 418,
+ "sac_id": "Atom: Ni\nSupport Material: Nitrogen-doped porous carbon (Z8NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Nitrogen-doped porous carbon (Z8NC)\n\n",
+ "predicted": "Precursor synthesis: 0.1 g Zn(NO3)2\u00b76H2O and 0.4 g 2-methylimidazole were dissolved in 5 mL methanol, respectively. The above two solutions were mixed and stirred for 3 h at room temperature. The white precipitate was collected by centrifugation with a speed of 9000 rpm for 1 min, washed with methanol three times, and dried overnight under vacuum at 70 \u00b0C.\n\nSynthesis of ZIF-8/Ni-Zn: A mixture of 0.1 g Zn(NO3)2\u00b76H2O, 0.4 g 2-methylimidazole, and 0.1 g NiCl2\u00b76H2O was added to 5 mL methanol solution and stirred for 3 h at room temperature. The light green powder was collected by centrifugation with a speed of 9000 rpm for 1 min, washed with methanol three times, and dried overnight under vacuum at 70 \u00b0C.\n\nNitrogendoping: The as-prepared ZIF-8/Ni-Zn powder was placed in the tube furnace and heated to 950 \u00b0C at a rate of 5 \u00b0C min^-1 under Ar flow. After 2 h of pyrolysis, the black powder was taken out and washed with deionized water (DI water) three times, then dried overnight under vacuum at 70 \u00b0C. The obtained sample is named Z8NC-Ni.\n\nFurther nitrogen doping: The as-prepared ZIF-8/Ni-Zn powder was placed in the tube furnace and heated to 900 \u00b0C at a rate of 5 \u00b0C min^-1 under NH3 flow. After 2 h of pyrolysis, the black powder was taken out and washed with DI water three times, then dried overnight under vacuum at 70 \u00b0C. The obtained sample is named Z8NC-Ni-N.",
+ "ground_truth": "Precursor synthesis: ZIF-8 preparation is described in the Supporting Information.\nSAC synthesis: The synthetic procedures of Ni-Z8NC & NaCl were similar to Fe-Z8NC & NaCl, except NiO (300 mg) was used instead of Fe2O3."
+ },
+ {
+ "id": 419,
+ "sac_id": "Atom: Cu\nSupport Material: Nitrogen-doped porous carbon (Z8NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: Nitrogen-doped porous carbon (Z8NC)\n\n",
+ "predicted": "Precursor synthesis: 0.1 g ZnCl2 and 0.3 g chitosan were dissolved in 5 mL deionized water, followed by stirring for 4 h to obtain a homogeneous solution. The obtained solution was then freeze-dried at -50 \u00b0C to remove the water. Afterwards, the dried mixture was annealed at 750 \u00b0C with a heating rate of 5 \u00b0C min-1 for 1 h in an argon atmosphere. Finally, the black powder was rinsed with deionized water to remove unreacted Zn ions and dried under vacuum at 60 \u00b0C overnight (Z-8NC).\n\nThe Z-8NC powder was dispersed into 20 mL ethanol, followed by sonication for 1 h. Then, 10 mL of CuCl2\u00b72H2O ethanol solution (0.09 M) was added into the above solution under stirring for 4 h. Subsequently, the mixed solution was transferred into a 50 mL Teflon-lined autoclave and heated at 120 \u00b0C for 2 h. After cooling down to room temperature, the black powder was collected and washed with deionized water.",
+ "ground_truth": "Precursor synthesis: ZIF-8 preparation is described in the Supporting Information.\nSAC synthesis: The synthetic procedures of Cu-Z8NC & NaCl were similar to Fe-Z8NC & NaCl, except CuO (300 mg) was used instead of Fe2O3."
+ },
+ {
+ "id": 420,
+ "sac_id": "Atom: Mn\nSupport Material: Nitrogen-doped porous carbon (Z8NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Mn\nSupport Material: Nitrogen-doped porous carbon (Z8NC)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 0.2 g of Zn(CH3COO)2\u00b72H2O and 0.4 g of bis(ethylcyclopentadienyl)manganese (Mn(Cp2H)2) were dissolved in 20 mL of methanol to form a clear solution. Then 20 mL of 1,4-benzenedicarboxylic acid (H2BDC) methanol solution (0.05 mol/L) was added into the above solution under vigorous stirring for 1 h. The mixed solution was then transferred into a Teflon-lined stainless steel autoclave and heated at 160 \u00b0C for 12 h. The obtained product was separated by centrifugation and further purified by deionized water for several times. After drying at 70 \u00b0C in an oven overnight, the Mn-MOFs powder was obtained.\n\nSynthesis of Z8NC: A certain amount of Mn-MOFs powder was placed in a tube furnace preheated at 800 \u00b0C for 2 h in Ar atmosphere with a heating rate of 5 \u00b0C min-1. After that, the temperature was further increased to 950 \u00b0C and kept for 2 h. Finally, the Z8NC was obtained after cooling down to room temperature.",
+ "ground_truth": "Precursor synthesis: ZIF-8 preparation is described in the Supporting Information.\nSAC synthesis: The synthetic procedures of Mn-Z8NC & NaCl were similar to Fe-Z8NC & NaCl, except Mn2O3 (300 mg) was used instead of Fe2O3."
+ }
+ ],
+ "High-performance-single-atom-bifunctional-oxygen-catalysts-derived-from-ZIF-67-superstructures": [
+ {
+ "id": 421,
+ "sac_id": "Atom: Co\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,3-dicyanobenzene and anhydrous FeCl3 were used as precursors.\nSynthesis: The 1,3-dicyanobenzene (0.5 g) and anhydrous FeCl3 (2.5 g) were mixed by grinding for 1 min to obtain a uniform mixture. After that, the mixture was transferred into a ceramic crucible and placed in a tube furnace. The tube furnace was heated to 800 \u00b0C at a rate of 2.5 \u00b0C/min under flowing Ar gas (flow rate: 40 sccm), and maintained at this temperature for 2 h. Subsequently, the temperature was increased to 900 \u00b0C at a rate of 2.5 \u00b0C/min and held for another 2 h to complete the pyrolysis process. Finally, the sample was cooled down to room temperature to obtain the FDC sample.\nCharacterization: The XRD patterns of the FDC samples were recorded on a Bruker D8 Advance powder diffractometer with Cu K\u03b1 radiation. Raman spectra were measured using a Renishaw inVia Raman spectrometer equipped with a 532 nm laser. XPS measurements were performed on a Thermo VG Scientist triple spectrometer using Mg K\u03b1 radiation. STEM imaging was carried out on JEOL ARM200F transmission electron microscope operating at 80 kV. Elemental analysis was conducted on a Varian 680 Flash EA Elemental Analyzer.",
+ "ground_truth": "Precursor synthesis: To prepare the UNT ZIF-67, Co(NO3)2\u00b76H2O (0.05 g) and 2-methylimidazole (0.1 g) were dissolved in methanol (20 mL) and stirred for 1 h at room temperature. The resulting solution was then transferred into a 50 mL Teflon-lined stainless steel autoclave and heated at 120 \u00b0C for 24 h. After cooling to room temperature, the precipitate was collected by centrifugation, washed with methanol, and dried at 60 \u00b0C for 12 h.\nSAC synthesis: The as-prepared UNT ZIF-67 was then placed in a tube furnace and heated to 500 \u00b0C at a heating rate of 5 \u00b0C min\u22121 under a vacuum environment (10\u22122 Pa) and maintained for 2 h. After cooling to room temperature, the UNT Co SAs/N-C catalysts were obtained. To mitigate aggregation of single-Co-atoms, Vacuum-sealing technology is first applied to facilitate the single-atom dispersion during pyrolysis. When the pyrolytic temperature increases to 500 \u00b0C, UNT Co SAs/N-C composite shows no visible diffraction peaks, suggesting thorough decomposition of ZIF-67 and the absence of a Co metal phase."
+ }
+ ],
+ "Scalable-strategy-to-fabricate-single-Cu-atoms-coordinated-carbons-for-efficient-electroreduction-of-CO2-to-CO": [
+ {
+ "id": 422,
+ "sac_id": "Atom: Cu\nSupport Material: N-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: N-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: Zn(NO3)2\u00b76H2O (1 mmol) and Cu(acac)2 (0.5 mmol) were dissolved in a mixture of methanol/ethanol (40 mL/10 mL). 2-Methylimidazole (15 mmol) was dispersed in the above solution under stirring for 1 h at room temperature to form a homogeneous solution, followed by standing for 12 h. The precipitate was separated by centrifugation, and then washed with ethanol and finally dried at 60 \u00b0C overnight.\nSynthesis of metal-organic frameworks (MOFs): The preparation process of ZIF-8@Cu was the same as that of ZIF-8, except that Cu(acac)2 was added.\nSacrificial template coating: The as-obtained ZIF-8@Cu powders were coated with SiO2 using the STARCS method. Briefly, 1 g powder of ZIF-8@Cu was dispersed in an ethanol/tetrahydrofuran (100/20 mL) solution containing TEOS (0.7 mol) and ammonium hydroxide (25%~28%, 0.09 mL), which was stirred at 300 rpm and heated to 60 \u00b0C for 24 h. After cooling to room temperature, the solid was filtered, washed with ethanol and dried at 60 \u00b0C overnight. Then, the obtained SiOCu MOFs were calcined at 600 \u00b0C for 2 h under a nitrogen flow at a ramp rate of 5 \u00b0C min-1.\nNitride coating: The SiOCu MOFs were placed in a tube furnace and heated to 1000 \u00b0C for 2 h at a ramp rate of 5 \u00b0C min-1 using NH3 as the gas. After cooling to room temperature, the product was ground to obtain SiNCu samples.",
+ "ground_truth": "Precursor synthesis: Chitosan was carbonized at 400 \u00b0C for 1 h with a heating rate of 5 \u00b0C min^-1 in a tube furnace under N2 atmosphere. 2.0 g carbonized chitosan, 2.0 g KOH, and 1.0 g CuCl2\u00b72H2O were dissolved in deionized water (80 mL) and vigorously stirred for 12 h. The solution was evaporated until a slurry formed and further heated to 900 \u00b0C in a tube furnace under N2 atmosphere for 1 h with a heating rate of 5 \u00b0C min^-1. The obtained black powder was dispersed into a 1 M HCl solution with refluxing at 120 \u00b0C for 12 h to remove metal residue, followed by deionized water washing and collected by filtering.\nSAC synthesis: The atomically isolated Cu SAs/NC catalyst was prepared via one-pot pyrolysis of chitosan, KOH, and Cu salt. Chitosan with naturally rich N content was converted into the defect-rich carbon substrate that stably entraps single Cu atoms via the charge transfer mechanism. KOH, as the activation agent, creates abundant interconnected pores and channels to facilitate the electrolyte infiltration."
+ }
+ ],
+ "Melt-salt-assisted-direct-transformation-of-solid-oxide-into-atomically-dispersed-FeN4-sites-on-nitrogen-doped-porous-carbon": [
+ {
+ "id": 423,
+ "sac_id": "Atom: Fe\nSupport Material: Nitrogen-doped porous carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Nitrogen-doped porous carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanoguanidine (2 g), zinc chloride (6.5 g), and 30 mL of methanol were mixed under vigorous magnetic stirring for 15 minutes at room temperature. Then, the above solution was transferred to a Teflon-lined autoclave (50 mL) and heated in an oven at 100 \u00b0C for 8 hours. After cooling down to room temperature naturally, the resulting precipitates were collected by centrifugation and washed with ethanol three times. Finally, as-prepared ZIF-8 precursors were dispersed in 100 mL of 0.1 M HCl solution and kept stirring at room temperature for 24 h. The product was collected by centrifugation, washed with water several times, and dried at 70 \u00b0C overnight.\n\nSynthesis of NC+P: 1,4-dicyanoguanidine (2 g), zinc chloride (6.5 g), phosphorus(V) oxide (1 g), and 30 mL of methanol were mixed under vigorous magnetic stirring for 15 minutes at room temperature. Then, the above solution was transferred to a Teflon-lined autoclave (50 mL) and heated in an oven at 100 \u00b0C for 8 hours. After cooling down to room temperature naturally, the resulting precipitates were collected by centrifugation and washed with ethanol three times. Finally, as-prepared ZIF-8 precursors were dispersed in 100 mL of 0.1 M HCl solution and kept stirring at room temperature for 24 h. The product was collected by centrifugation, washed with water several times, and dried at 70 \u00b0C overnight. The obtained solid powder was calcined at 900 \u00b0C for 2 hours with a heating rate of 5 \u00b0C min^-1 under argon atmosphere. The obtained black products were soaked in 0.5 M H2SO4 solution at 80 \u00b0C for 8 hours, washed with deionized water until neutral pH, and dried at 70 \u00b0C overnight.\n\nSynthesis of NC: The synthetic procedure is similar to that of NC+P, except that no addition of phosphorus(V) oxide.",
+ "ground_truth": "Precursor synthesis: Adenine was used as the carbon and nitrogen precursor. Ferric oxide (Fe2O3) was used as the iron source. Zinc chloride (ZnCl2) and sodium chloride (NaCl) were used as inorganic salts.\nSAC synthesis: In a typical synthesis, ZnCl2 (5.0 g, 36.68 mmol), NaCl (5.0 g, 85.56 mmol), adenine (1.0 g, 7.4 mmol) and Fe2O3 (50 mg, 0.31 mmol) were mixed well by ball mill. The obtained mixture powder was placed in a ceramic boat, subsequently heated to 900 \u00b0C at a ramp rate of 5 \u00b0C min^-1 and kept at 900 \u00b0C for 1 h in a tube furnace under nitrogen atmosphere. After natural cooling, the inorganic salts and reaction residues were thoroughly washed away with dilute hydrochloric acid solution. Finally, the Fe-SAC/NC sample was obtained by filter and then dried in a vacuum at 80 \u00b0C for 12 h after washing to neutral by distilled water for several times."
+ },
+ {
+ "id": 424,
+ "sac_id": "Atom: Co\nSupport Material: Nitrogen-doped porous carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Nitrogen-doped porous carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanoguanidine (2 g), ZnCl2 (2 g), and 40 mL of methanol were mixed together and stirred for 3 h at room temperature. The mixture was then transferred to a Teflon-lined autoclave (50 mL) and heated in an oven at 100 \u00b0C for 8 h. After cooling down to room temperature, the obtained precipitates were collected by centrifugation, washed with ethanol several times, and dried under vacuum at 60 \u00b0C overnight.\n\nSynthesis of NC: A piece of SiC rock was put into a tube furnace and heated to 1000 \u00b0C for 2 h at a heating rate of 5 \u00b0C min^-1 under flowing Ar gas. After that, the temperature was further increased to 1600 \u00b0C for 2 h at a heating rate of 2 \u00b0C min^-1. A black solid product was obtained after cooling to room temperature. The carbonized SiC rock was then immersed in a HF solution (25 wt.%) for 72 h at 80 \u00b0C. After acid etching, the obtained materials were thoroughly washed by water until the solution became neutral, centrifuged, and dried under vacuum at 60 \u00b0C overnight.\n\nElectrochemical measurements: For the electrocatalytic tests, a three-electrode system was used with a graphite rod as the working electrode, Ag/AgCl (sat.) as the reference electrode, and 5 M KOH as the electrolyte. Before the test, 5 \u03bcL of cobalt precursor ink was dropcast onto the working electrode surface and dried under infrared lamp for 1 min to form a thin film catalyst. Then, the working electrode was immersed into the electrolyte, and the electrochemical CO2RR was performed using a CHI 660E electrochemical workstation. Linear sweep voltammetry (LSV) was conducted with a potential sweeping rate of 1 mV s^-1 from -0.9 to -1.5 V vs. RHE. All the current values were normalized to the geometric area of the working electrode. Chronoamperometry (CA) was carried out at a fixed potential of -1.3 V vs. RHE. The electrolysis was performed for 12 h, and the electrolyte was changed every 6 h to ensure the accuracy of the results. The electrolytes were extracted and analyzed by GC after electrolysis. The Faradaic efficiency (FE) was calculated according to the following equation: where n is the number of electrons involved in the reaction, Q is the amount of CO produced determined by gas chromatography, F is the Faradaica constant (96485 C mol^-1), and i is the average current density.",
+ "ground_truth": "Precursor synthesis: Adenine was used as the carbon and nitrogen precursor. Cobalt trioxide (Co2O3) was used as the cobalt source. Zinc chloride (ZnCl2) and sodium chloride (NaCl) were used as inorganic salts.\nSAC synthesis: The synthesis procedure of Co-SAC/NC was similar to that of Fe-SAC/NC. In a typical synthesis, ZnCl2 (5.0 g, 36.68 mmol), NaCl (5.0 g, 85.56 mmol), adenine (1.0 g, 7.4 mmol) and Co2O3 (50 mg, 0.31 mmol) were mixed well by ball mill. The obtained mixture powder was placed in a ceramic boat, subsequently heated to 900 \u00b0C at a ramp rate of 5 \u00b0C min^-1 and kept at 900 \u00b0C for 1 h in a tube furnace under nitrogen atmosphere. After natural cooling, the inorganic salts and reaction residues were thoroughly washed away with dilute hydrochloric acid solution. Finally, the Co-SAC/NC sample was obtained by filter and then dried in a vacuum at 80 \u00b0C for 12 h after washing to neutral by distilled water for several times."
+ }
+ ],
+ "Three-dimensionally-ordered-mesoporous-iron-oxide-supported-single-atom-platinum:-Highly-active-catalysts-for-benzene-combustion": [
+ {
+ "id": 425,
+ "sac_id": "Atom: Pt\nSupport Material: mesoporous iron oxide (meso-Fe2O3)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: mesoporous iron oxide (meso-Fe2O3)\n\n",
+ "predicted": "Precursor synthesis: The mesoporous Fe2O3 nanoparticles were prepared by a modified method reported in the literature. [1] Typically, 0.5 g of FeCl3\u00b76H2O was dissolved in 40 mL of deionized water to form a homogeneous solution at room temperature. Then, 8 g of Pluronic F127 and 1.9 g of NH4VO3 were added into the above solution under stirring. After stirring for another 30 min, the mixture was transferred into a Teflon-lined stainless steel autoclave and heated at 180 \u00b0C for 24 h. After cooling down to room temperature, the solid product was collected by centrifugation and further purified by washing with deionized water several times. Subsequently, the product was dispersed in 0.1 M HCl solution and kept stirring overnight to remove unstable iron species. Finally, after collecting by centrifugation and drying at 60 \u00b0C overnight, the mesoporous Fe2O3 was obtained.\n\nSynthesis of Pt/meso-Fe2O3: In a typical procedure, 0.1 mmol of chloroplatinic acid hexahydrate was first dissolved in 10 mL of deionized water to form a clear solution. Then, 0.5 g of mesoporous Fe2O3 was added to the above solution under stirring at room temperature. After adding 2 mL of NaBH4 solution (0.1 mol L^-1), the suspension was kept stirring for 1 h. Finally, the product was collected by centrifugation and dried at 60 \u00b0C overnight.\n\nAnnealing Treatment of Pt/meso-Fe2O3: The as-prepared Pt/meso-Fe2O3 sample was annealed at different temperatures from 200 to 400 \u00b0C for 2 h in air with a ramping rate of 5 \u00b0C min^-1. The resulting samples were denoted as Pt/meso-Fe2O3-X, where X represents the annealing temperature.",
+ "ground_truth": "Precursor synthesis: Highly ordered mesoporous KIT-6 template was synthesized according to the procedures described in the literature [25]. The KIT-6 was synthesized in a mixed aqueous solution of n-butanol and HCl using the Pluronic P123 (MW = 5800 g/mol) as structure-directing agent and tetraethoxysilane (TEOS) as silica source. Briefly, 6 g of Pluronic P123 was dissolved in 217 mL of deionized water and 9.83 mL of HCl aqueous solution (37 wt%) at 50 \u00b0C. Under vigorous stirring for 40 min, 7.41 mL of n-butanol was added. After stirring for 1 h, 13.8 mL of TEOS was slowly added to the above homogeneous solution. The mixture was stirred at 35 \u00b0C for 24 h, followed by hydrothermal treatment at 100 \u00b0C for 24 h. The obtained solid product was filtered, washed several times with deionized water and alcohol, and then dried at 60 \u00b0C for 12 h, and finally calcined in air at 550 \u00b0C for 4 h, thus obtaining the three-dimensionally (3D) ordered mesoporous KIT-6 template.\n\n3D ordered mesoporous Fe2O3 was fabricated using 3D ordered mesoporous KIT-6 as hard template. Typically, 1.0 g of KIT-6 was added to 50 mL of toluene, and the suspension was stirred at 65 \u00b0C for 30 min and sonicated for 30 min. After that, 2.0 g of Fe(NO3)3\u00b79H2O was added to the mixture under vigorous stirring, followed by stirring at 65 \u00b0C for 5 h. Then, the suspension was filtered to get a precursor@KIT-6 composite that was dried in air at room temperature (RT) overnight. The dried precursor@KIT-6 composite was finally calcined in a muffle furnace. The temperature was from RT to 600 \u00b0C at the heating rate of 1 \u00b0C/min and kept at 600 \u00b0C for 2 h. Finally, the template-free meso-Fe2O3 was obtained after removal of the silica with a hot NaOH aqueous solution (2.00 mol/L), followed by centrifugation, washing with deionized water and ethanol, and drying at 80 \u00b0C. The obtained material was denoted as meso-Fe2O3.\n\nSAC synthesis: The x wt% Pt1/meso-Fe2O3 catalysts were prepared via a PVA-protected reduction route with PVA (MW = 10 000 g/mol) as protecting agent and NaBH4 as reducing agent. The typical preparation procedures are as follows: A desired amount of Pt(NH3)4(NO3)2 aqueous solution (0.0010 mol/L) was added to the PVA (noble metal/PVA mass ratio = 1.0 : 1.2) in an ice bath under stirring, a moderate amount of meso-Fe2O3 dispersed in methanol was then added to the mixed solution (the theoretical Pt loadings (x) were 0.1, 0.2, and 0.3 wt%, respectively). The mixture was further vigorously stirred for 3 h. 0.05 g of NaBH4 dissolved in deionized water was dropwise added to the mixed solution containing meso-Fe2O3, PVA, and Pt ions for the reduction of Pt ions and stirred for 1 h. After being filtered and dried at 60 \u00b0C in an oven, the solid was finally calcined at a ramp of 1 \u00b0C/min from RT to 550 \u00b0C and kept at this temperature for 2 h in a muffle furnace, hence obtaining the x wt% Pt1/meso-Fe2O3 (denoted as x Pt1/meso-Fe2O3) catalysts."
+ }
+ ],
+ "Single-atom-catalysts-with-bimetallic-centers-for-high-performance-electrochemical-CO2-reduction": [
+ {
+ "id": 426,
+ "sac_id": "Atom: Ni\nSupport Material: Nitrogen-doped carbon matrix (2NiNC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Nitrogen-doped carbon matrix (2NiNC)\n\n",
+ "predicted": "Precursor synthesis: Nickel acetate tetrahydrate (0.5 mmol), 1,4-dicyanobenzene (0.5 mmol), and boric acid (0.1 g) were mixed in 5 mL of ethanol and then heated at 60 \u00b0C for 3 h under stirring conditions. Subsequently, the obtained precipitates were collected via centrifugation with ethanol for several times and dried at 70 \u00b0C overnight, yielding Ni(II)-containing poly(phenylene cyanonitrile) precursors (Ni-PPC).\n\nSynthesis of 2NiNC: A piece of 2NiNC was placed in a quartz boat and annealed at 900 \u00b0C for 2 h at a heating rate of 5 \u00b0C min -1 under Ar flow. After cooling down to room temperature, nitrogen-doped carbon with Ni nanoparticles (2NiNC) was obtained.",
+ "ground_truth": "First, 20 g of tripotassium citrate monohydrate was calcined at 800 \u00b0C for 1 h (ramp rate: 10 \u00b0C min^-1) under continuous N2 flow. To yield a porous carbon material, the obtained product was centrifuged with 1 M sulfuric acid solution and deionized water (three times each) and heated to dryness (12 h) at 80 \u00b0C. Later, a mixture of 0.6 g of carbon, 0.44 g of Ni(NO3)2\u00b76H2O, and 12.07 g of \u03b1-D-glucose in deionized water (50 mL) was treated with ultrasound for 1 h, centrifuged at 8000 rpm, and dried in the oven. This mixture was well mixed with melamine in a ratio of mixture:melamine = 1:5. These mixed materials were calcined at 800 \u00b0C and flushed with N2 for 2 h to obtain the NiNC catalyst."
+ },
+ {
+ "id": 427,
+ "sac_id": "Atom: Ni\nSupport Material: FeNC\nSynthesis Method: Solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: FeNC\n\n",
+ "predicted": "Precursor synthesis: The Fe-N-C material without Co was prepared by pyrolysis of a mixture of cobalt(II) nitrate hexahydrate, tannic acid, and ferric nitrate nonahydrate (1:2:4).\n\nNM synthesis: The precursors were mixed in ethanol under vigorous stirring for 30 min, followed by slow evaporation at 50 \u00b0C. After drying, the mixture was ground into powder and heated to 900 \u00b0C with a ramp rate of 5 \u00b0C/min and held for 2 h in argon flow. The obtained sample is denoted as FeNC.",
+ "ground_truth": "First, 20 g of tripotassium citrate monohydrate was calcined at 800 \u00b0C for 1 h (ramp rate: 10 \u00b0C min^-1) under continuous N2 flow. To yield a porous carbon material, the obtained product was centrifuged with 1 M sulfuric acid solution and deionized water (three times each) and heated to dryness (12 h) at 80 \u00b0C. Later, a mixture of 0.6 g of carbon, 0.44 g of Ni(NO3)2\u00b76H2O, and 12.07 g of \u03b1-D-glucose in deionized water (50 mL) was treated with ultrasound for 1 h, centrifuged at 8000 rpm, and dried in the oven. This mixture was well mixed with melamine in a ratio of mixture:melamine = 1:5. These mixed materials were calcined at 800 \u00b0C and flushed with N2 for 2 h to obtain the NiNC catalyst."
+ },
+ {
+ "id": 428,
+ "sac_id": "Atom: Ni\nSupport Material: Nitrogen-doped carbon matrix (NiNC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Nitrogen-doped carbon matrix (NiNC)\n\n",
+ "predicted": "Precursor synthesis: Nickel acetate tetrahydrate, 1,4-dicyanocyclohexane (CDC), dopamine hydrochloride, and melamine were used as precursors.\n\nSynthesis of Ni foam (NF):\n1. Soaked Ni foam in 1 M HCl for 10 min.\n2. Rinsed with deionized water and dried at 80 \u00b0C for 12 h.\n3. Annealed at 500 \u00b0C for 2 h under Ar atmosphere with a heating rate of 5 \u00b0C min-1.\n\nSynthesis of NiNC:\n1. Prepared a Tris buffer solution (10 mL, pH = 8.5) containing 67 mg dopamine hydrochloride and 190 mg melamine.\n2. Immersed annealed NF in the Tris buffer solution for 12 h at room temperature.\n3. Rinsed with deionized water and dried at 80 \u00b0C for 12 h.\n4. Ground the dried sample and mixed with nickel acetate tetrahydrate with a molar ratio of 1:10.\n5. Heated to 900 \u00b0C at a heating rate of 5 \u00b0C min-1 and maintained for 3 h under Ar atmosphere.\n6. Etched the carbonized sample in 0.5 M H2SO4 for 24 h.\n7. Rinsed with deionized water and dried at 120 \u00b0C overnight.",
+ "ground_truth": "First, 20 g of tripotassium citrate monohydrate was calcined at 800 \u00b0C for 1 h (ramp rate: 10 \u00b0C min^-1) under continuous N2 flow. To yield a porous carbon material, the obtained product was centrifuged with 1 M sulfuric acid solution and deionized water (three times each) and heated to dryness (12 h) at 80 \u00b0C. Later, a mixture of 0.6 g of carbon, 0.44 g of Ni(NO3)2\u00b76H2O, and 12.07 g of \u03b1-D-glucose in deionized water (50 mL) was treated with ultrasound for 1 h, centrifuged at 8000 rpm, and dried in the oven. This mixture was well mixed with melamine in a ratio of mixture:melamine = 1:5. These mixed materials were calcined at 800 \u00b0C and flushed with N2 for 2 h to obtain the NiNC catalyst."
+ },
+ {
+ "id": 429,
+ "sac_id": "Atom: Fe\nSupport Material: NiNC\nSynthesis Method: Solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: NiNC\n\n",
+ "predicted": "Precursor synthesis: The synthesis of nickel nitride (NiNC) was based on a previously reported method. 32 In brief, 10 mL of ethanol solution containing 4 mmol of nickel acetylacetone and 60 mL of ethanol containing 8 mmol of urea were added into a 50 mL Teflon-lined stainless steel autoclave. After ultrasonic treatment for 30 min, the autoclave was heated at 180 \u00b0C for 12 h. After cooling to room temperature, the solid precipitate was collected by centrifugation, washing with ethanol and deionized water several times, and drying at 60 \u00b0C overnight.\n\nFe@NiNC synthesis: A typical procedure is as follows: 10 mg of NiNC was dispersed in 10 mL of ethanol under ultrasound for 30 min; then, 100 \u03bcL of iron chloride ethanol solution (10 mg/mL) was added dropwise to the above mixture under ultrasound for 30 min. Subsequently, the mixed suspension was stirred vigorously at 70 \u00b0C until the ethanol completely evaporated. Finally, the obtained solid powder was heated at 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C min -1 under flowing Ar atmosphere. Afterward, the sample was naturally cooled to room temperature without any posttreatment.\n\nElectrochemical measurements: For half-cell assembly, a rotating disk electrode (RDE) was used to evaluate the Fe@NiNC catalysts, where 5 mg of the Fe@NiNC catalyst was first dispersed into 0.5 mL of deionized water and 250 \u03bcL was dropped onto RDE surface. The electrochemical measurements of the working electrode were performed using an electrochemical workstation (CHI 760E, Shanghai Chenhua Instrument Co., Ltd.). Cyclic voltammetry (CV) tests were conducted in Ar saturated 0.5 M H2SO4 electrolyte at a scan rate of 10 mV s -1. Linear sweep voltammetry (LSV) was carried out from 0.10 to -0.50 V vs. RHE at a sweep rate of 5 mV s -1. EIS was measured by applying an AC amplitude of 5 mV at 1 kHz. All potentials mentioned in this work were quoted against RHE scale unless otherwise stated, which could be calculated according to Eq. (1): where E(V) is measured against Ag/AgCl reference electrode, pH = 0.00, T(K) = 298, E(V)RHE = E(V)Ag/AgCl -0.197(V) + i(A) \u00d7 0.0591(V) \u00d7 e / 23.06 at 25 \u00b0C. i(A) is the current density, n(e) is the number of transferred electrons, R(\u03a9) is the series resistance, T(K) is the absolute temperature, F(C) is the Faraday constant, z(e) is the valence of the redox reaction, and K(V) is the correction factor.\n\nHRTEM and EDS analysis: The morphology and structure of the samples were investigated by transmission electron microscopy (TEM, JEOL JEM-2100F). Energy-dispersive X-ray spectroscopy (EDS) attached to the TEM was employed to analyze the elemental composition of the products.",
+ "ground_truth": "First, 20 g of tripotassium citrate monohydrate was calcined at 800 \u00b0C for 1 h (ramp rate: 10 \u00b0C min^-1) under continuous N2 flow. To yield a porous carbon material, the obtained product was centrifuged with 1 M sulfuric acid solution and deionized water (three times each) and heated to dryness (12 h) at 80 \u00b0C. Later, a mixture of 0.6 g of carbon, 0.37 mmol of Fe(NO3)3, and 12.07 g of \u03b1-D-glucose in deionized water (50 mL) was treated with ultrasound for 1 h, centrifuged at 8000 rpm, and dried in the oven. This mixture was well mixed with melamine in a ratio of mixture:melamine = 1:5. These mixed materials were calcined at 800 \u00b0C and flushed with N2 for 2 h to obtain the FeNC catalyst."
+ },
+ {
+ "id": 430,
+ "sac_id": "Atom: Fe\nSupport Material: Nitrogen-doped carbon matrix (2FeNC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Nitrogen-doped carbon matrix (2FeNC)\n\n",
+ "predicted": "Precursor synthesis: Iron(II) acetate tetrahydrate and 1,10-phenanthroline were dissolved in ethanol. Dopamine hydrochloride was dissolved in the same ethanol solution. The mixture was stirred and heated at 60 \u00b0C for polymerization. After evaporation of ethanol and drying in an oven at 60 \u00b0C overnight, the resulting powder was calcined at 900 \u00b0C under Ar for 3 h to afford 2FeNC.",
+ "ground_truth": "First, 20 g of tripotassium citrate monohydrate was calcined at 800 \u00b0C for 1 h (ramp rate: 10 \u00b0C min^-1) under continuous N2 flow. To yield a porous carbon material, the obtained product was centrifuged with 1 M sulfuric acid solution and deionized water (three times each) and heated to dryness (12 h) at 80 \u00b0C. Later, a mixture of 0.6 g of carbon, 0.37 mmol of Fe(NO3)3, and 12.07 g of \u03b1-D-glucose in deionized water (50 mL) was treated with ultrasound for 1 h, centrifuged at 8000 rpm, and dried in the oven. This mixture was well mixed with melamine in a ratio of mixture:melamine = 1:5. These mixed materials were calcined at 800 \u00b0C and flushed with N2 for 2 h to obtain the FeNC catalyst."
+ },
+ {
+ "id": 431,
+ "sac_id": "Atom: Fe\nSupport Material: Nitrogen-doped carbon matrix (FeNC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Nitrogen-doped carbon matrix (FeNC)\n\n",
+ "predicted": "Precursor synthesis: 1.0 g of FeCl2\u00b74H2O and 1.0 g of glucose were dissolved in 50 mL of ethanol under magnetic stirring for 3 h at room temperature. The mixed solution was transferred into a Teflon-lined autoclave with a volume of 100 mL, and then heated at 80 \u00b0C for 6 h. After cooling to room temperature naturally, the obtained product was dried in an oven at 70 \u00b0C overnight.\nFeNC synthesis: The obtained solid product was calcined at 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C min-1 under N2 atmosphere and then cooled to room temperature naturally. The as-prepared black powder was denoted as FeNC.",
+ "ground_truth": "First, 20 g of tripotassium citrate monohydrate was calcined at 800 \u00b0C for 1 h (ramp rate: 10 \u00b0C min^-1) under continuous N2 flow. To yield a porous carbon material, the obtained product was centrifuged with 1 M sulfuric acid solution and deionized water (three times each) and heated to dryness (12 h) at 80 \u00b0C. Later, a mixture of 0.6 g of carbon, 0.37 mmol of Fe(NO3)3, and 12.07 g of \u03b1-D-glucose in deionized water (50 mL) was treated with ultrasound for 1 h, centrifuged at 8000 rpm, and dried in the oven. This mixture was well mixed with melamine in a ratio of mixture:melamine = 1:5. These mixed materials were calcined at 800 \u00b0C and flushed with N2 for 2 h to obtain the FeNC catalyst."
+ }
+ ],
+ "Different-roles-of-Fe-atoms-and-nanoparticles-on-g-C3N4-in-regulating-the-reductive-activation-of-ozone-under-visible-light": [
+ {
+ "id": 432,
+ "sac_id": "Atom: Fe\nSupport Material: g-C3N4\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: g-C3N4\n\n",
+ "predicted": "Precursor synthesis: The g-C3N4 was prepared by the thermal annealing of urea (20.0 g) at 550 \u00b0C for 4 h in a muffle furnace with a heating rate of 5 \u00b0C min-1.",
+ "ground_truth": "Precursor synthesis: FeCl3 \u00b7 6H2O, dicyandiamide, oxalic acid (OA), tert-butanol (TBA), benzoic acid (BA), hydroxybenzoic acid (HBA), ultrapure oxygen gas, and ammonia gas were purchased from various suppliers.\nSAC synthesis: Typically, 1 g of dicyandiamide and a certain amount of FeCl3 \u00b7 6H2O were added into deionized water (20 mL). The mixture was placed in a water bath under stirring at 60 \u00b0C for 1 h. The mixture was then stirred at 120 \u00b0C until the water was completely evaporated. The dried mixture was ground and heated to 600 \u00b0C in an argon atmosphere at 10 \u00b0C/min and kept for 3 h. According to the inductively coupled plasma optical emission spectrometry (ICP OES) measurement, the Fe loading in the catalysts were 4.5, 6.8, and 9.1 wt.%, respectively. The samples were denoted as 4.5Fe-gCN, 6.8Fe-gCN, and 9.1Fe-gCN accordingly. Typically, the g-C3N4 was prepared without adding FeCl3 \u00b7 6H2O under the same synthesis conditions."
+ }
+ ],
+ "Multiscale-structural-engineering-of-atomically-dispersed-FeN4-electrocatalyst-for-proton-exchange-membrane-fuel-cells": [
+ {
+ "id": 433,
+ "sac_id": "Atom: Fe\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,3-dicyanobenzene and a 20 mol% Pd catalyst were pyrolyzed at 800 \u00b0C for 2 h under an Ar atmosphere. The obtained material was washed with 6 M HCl to remove metallic residues.\nSAC synthesis: A mixture of graphite (4 g), urea (2 g), LMW-PDA (0.57 g in 5 mL of water), and ethanol (19 mL) was ground using an agate mortar for 2 h. The resulting slurry was then subjected to mechanochemical treatment in an agate ball mill for another 2 h. The product was further milled for 1 h after drying at 70 \u00b0C. The final products were used as SACs without any further treatments.",
+ "ground_truth": "Precursor synthesis: PS spheres were firstly synthesized. Typically, 65 mL of styrene was washed thoroughly by 20 mL NaOH (10 wt%) solution. Then, the washed styrene, 2.5 g polyvinyl pyrrolidone (PVP) and 500 mL of H2O were mixed in a triple-neck round-bottomed flask. The mixed solution was purged with nitrogen for 15 min, and then stirred at 75 /C176 C for 30 min. Afterwards, 50 mL 74 mM of K2S2O8 was added into the flask, and the aqueous solution was stirred at 75 /C176 C for 24 h to obtain monodisperse colloidal PSs. The above PS solution was centrifuged at 9 krpm for 40 min, and the precipitation was dried overnight at 60 /C176 C to obtain the 3D PS template.\n\nSAC synthesis: A precursor methanol (45 mL) solution containing 6.75 g 2-methylimidazole, 8.15 g Zn(NO3)2 /C1 6H2O, and different contents of Fe(NO3)3 /C1 9H2O were prepared. The PS template was immersed in the precursor solution for 1 h and degassed in vacuum for 15 min to make the precursor solution fully penetrate the PS template. The obtained PS template containing the precursor was dried at 60 /C176 C for 6 h, then CH3OH and ammonia mixed solution (1:1 V/V) was added, degassed for 10 min, and finally kept at room temperature for 24 h to obtain the Fe-ZIF-8@PS. Afterwards, the Fe-ZIF-8@PS was washed with N,N-dimethylformamide (DMF) to remove the PS templates, thus acquire the 3D Fe-ZIF-8. Finally, the 3D Fe-ZIF-8 was carbonized at high temperatures 1000 /C176 C under N2 to obtain the 3D Fe-N-C catalyst."
+ }
+ ],
+ "Hydrodechlorination-and-deep-hydrogenation-on-single-palladium-atom-based-heterogeneous-catalysts": [
+ {
+ "id": 434,
+ "sac_id": "Atom: Pd\nSupport Material: CeO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: CeO2\n\n",
+ "predicted": "Precursor synthesis: The palladium acetylacetonate (Pa(acac)) precursor was used for the impregnation.\nSynthesis: The CeO2-supported catalysts were prepared by incipient wetness impregnation using palladium acetylacetonate (Pa(acac)) as the precursor. After drying at 110 \u00b0C overnight, the impregnated powders were calcined at 500 \u00b0C for 4 h with a heating rate of 3 \u00b0C min-1 and stored under static air atmosphere. For comparison, the same mass percentages of Pa(acac) were used to prepare catalysts with different CeO2:Pd ratios (i.e., 7:1, 18:1, 69:1, and 237:1). All the catalysts were reduced with flowing H2 (30 mL min-1) for 2 h at 300 \u00b0C.",
+ "ground_truth": "Precursor synthesis: First, Ni(NO3)3\u00b76H2O (0.73 g) was dissolved in water (10 mL) and triethyleneglycol. Then an aqueous solution containing urea (0.3 g), tetrabutylammonium hydroxide (0.8 mL), and NaHCO3 (0.13 g) in H2O (10 mL) was added to the previously described solution under continuous stirring at room temperature. After 15 min, the solution was transferred to a 50 mL Teflon container, tightly sealed, and hydrothermally aged in a stainless-steel autoclave at 120 \u00b0C for 24 h. The resulting precipitate was collected via continuous centrifugation and washing. After vacuum freeze-drying for 24 h, the Ni(OH)2 product was obtained as a green powder.\nSAC synthesis: The Ni(OH)2-supported Pd single atom catalyst (SAC) was prepared via the direct chemical adsorption method as follows: First, 0.1 g of the Ni(OH)2 support was added to H2O (20 mL) then stirred and sonicated for 1 h. Secondly, (NH4)2PdCl6 (3.3 mg) was dissolved in H2O (5 mL) and the two solutions were mixed under continuous stirring for 12 h. The resulting precipitate was collected via centrifugation, dried, and reduced under an atmosphere of 5% H2/N2 at 110 \u00b0C for 2 h to obtain the final Pd/Ni(OH)2 SAC."
+ },
+ {
+ "id": 435,
+ "sac_id": "Atom: Pd\nSupport Material: ZrO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: ZrO2\n\n",
+ "predicted": "Precursor synthesis: The palladium(II) acetylacetonate precursor (Alfa Aesar, 97%) was used as received without further purification.\nSIP synthesis: The palladium(II) acetylacetonate and zirconium(IV) butoxide were mixed in a weight ratio of 1 : 3 on a mortar for 5 min to obtain the mixture precursor. This precursor was then loaded into a quartz tube with an outer diameter of 1.0 cm and placed inside a horizontal tubular reactor. The reactor was heated at 400 \u00b0C under 100 sccm Ar flow for 2 h to obtain the Pd/ZrO2 sample. After the reaction, the temperature of the reactor was cooled down to room temperature naturally.",
+ "ground_truth": "Precursor synthesis: First, Ni(NO3)3\u00b76H2O (0.73 g) was dissolved in water (10 mL) and triethyleneglycol. Then an aqueous solution containing urea (0.3 g), tetrabutylammonium hydroxide (0.8 mL), and NaHCO3 (0.13 g) in H2O (10 mL) was added to the previously described solution under continuous stirring at room temperature. After 15 min, the solution was transferred to a 50 mL Teflon container, tightly sealed, and hydrothermally aged in a stainless-steel autoclave at 120 \u00b0C for 24 h. The resulting precipitate was collected via continuous centrifugation and washing. After vacuum freeze-drying for 24 h, the Ni(OH)2 product was obtained as a green powder.\nSAC synthesis: The Ni(OH)2-supported Pd single atom catalyst (SAC) was prepared via the direct chemical adsorption method as follows: First, 0.1 g of the Ni(OH)2 support was added to H2O (20 mL) then stirred and sonicated for 1 h. Secondly, (NH4)2PdCl6 (3.3 mg) was dissolved in H2O (5 mL) and the two solutions were mixed under continuous stirring for 12 h. The resulting precipitate was collected via centrifugation, dried, and reduced under an atmosphere of 5% H2/N2 at 110 \u00b0C for 2 h to obtain the final Pd/Ni(OH)2 SAC."
+ },
+ {
+ "id": 436,
+ "sac_id": "Atom: Pd\nSupport Material: Ni(OH)2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: Ni(OH)2\n\n",
+ "predicted": "Precursor synthesis: Nickel foam (NF) was first pretreated by ultrasonication in acetone, ethanol, hydrogen peroxide, and deionized water for 15 min each. A specific amount of palladium acetate (3 mg mL^-1) and sodium borohydride (NaBH4, 0.6 mol L^-1) solution were added dropwise to the pretreated nickel foam simultaneously under vigorous stirring for 8 h. The as-prepared samples were then dried at 60 \u00b0C overnight and ground to powder for further characterization.\n\nAnnealing process: The as-obtained samples were annealed at 300 \u00b0C for 2 h with a heating rate of 5 \u00b0C min^-1 under Ar atmosphere.",
+ "ground_truth": "Precursor synthesis: First, Ni(NO3)3\u00b76H2O (0.73 g) was dissolved in water (10 mL) and triethyleneglycol. Then an aqueous solution containing urea (0.3 g), tetrabutylammonium hydroxide (0.8 mL), and NaHCO3 (0.13 g) in H2O (10 mL) was added to the previously described solution under continuous stirring at room temperature. After 15 min, the solution was transferred to a 50 mL Teflon container, tightly sealed, and hydrothermally aged in a stainless-steel autoclave at 120 \u00b0C for 24 h. The resulting precipitate was collected via continuous centrifugation and washing. After vacuum freeze-drying for 24 h, the Ni(OH)2 product was obtained as a green powder.\nSAC synthesis: The Ni(OH)2-supported Pd single atom catalyst (SAC) was prepared via the direct chemical adsorption method as follows: First, 0.1 g of the Ni(OH)2 support was added to H2O (20 mL) then stirred and sonicated for 1 h. Secondly, (NH4)2PdCl6 (3.3 mg) was dissolved in H2O (5 mL) and the two solutions were mixed under continuous stirring for 12 h. The resulting precipitate was collected via centrifugation, dried, and reduced under an atmosphere of 5% H2/N2 at 110 \u00b0C for 2 h to obtain the final Pd/Ni(OH)2 SAC."
+ }
+ ],
+ "Engineering-Pt-and-Fe-dual-metal-single-atoms-anchored-on-nitrogen-doped-carbon-with-high-activity-and-durability-towards-oxygen-reduction-reaction-for-zinc-air-battery": [
+ {
+ "id": 437,
+ "sac_id": "Atom: Pt\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanoguanidine (CDU) was used as the carbon and nitrogen source. 200 mg of CDUs were placed in a porcelain boat with a diameter of 35 mm and calcined at 600 \u00b0C for 2 h under an Ar flow rate of 60 mL min -1. The obtained black powder was washed with 1 M HCl solution and deionized water to remove impurities. After drying at 80 \u00b0C overnight, NC is obtained.\n\nSynthesis of Pt/NC: In a typical procedure, 200 mg of NC was dispersed in 100 mL of deionized water by ultrasonication for 30 min. Then, 7.9 mL of Na2PtCl6 aqueous solution (0.05 M) was added into the above suspension under vigorous stirring for another 24 h. After that, the mixture was centrifuged and dried at 80 \u00b0C for 12 h. Finally, the obtained powders were placed in a tube furnace and annealed at 400 \u00b0C for 2 h under an Ar flow rate of 60 mL min -1 to obtain Pt/NC.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, 0.298 g Zn(NO3)2 \u00b7 6H2O was completely dissolved into 40 mL methanol in a round-bottom flask A. 0.329 g 2-MeIm was dissolved in 40 mL methanol under stirring in a flask B. Then, the solution in flask B was added into flask A immediately and stirred for 24 h at room temperature (RT). The resultant precipitates, labelled as ZIF-8, was collected by centrifuging and washed with methanol for three times. ZIF-8 was dried at 60 \u00b0C for 12 h under vacuum oven.\n\nSAC synthesis: 50 mg ZIF-8 was dispersed in 10 mL DI water with ultrasonication for 60 min. 25 \u03bcL 100 mg/mL H2PtCl6 \u00b7 6H2O was added into as-resulted suspension and ultrasonication for 30 min. Then, the suspension was transferred into a vacuum oven with ~ 0.1 MPa for 30 min at RT. The as-obtained powder, designated as Pt@ZIF-8, was dried by rotary evaporation under reduced pressure at 35 \u00b0C. Finally, the as-obtained powder was heated to 1100 \u00b0C at a heating rate of 5 \u00b0C/min and pyrolyzed at 1100 \u00b0C for 1 h with argon gas flow. The as-prepared sample was naturally cooled down to room temperature and denoted as PtNC."
+ },
+ {
+ "id": 438,
+ "sac_id": "Atom: Fe\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanogermoxane (C2N2GeX2, 300 mg), zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O, 5.98 g), triethylamine (NEt3, 1 mL) were dissolved in methanol (40 mL). After stirring for 1 h at room temperature, the precipitate was collected by centrifugation and washed with methanol three times. Then the precipitate was transferred into an oven and dried at 60 \u00b0C overnight. The obtained precipitate was placed in a quartz tube which was then heated to 700 \u00b0C for 4 h at a heating rate of 5 \u00b0C min -1 in Ar atmosphere. The as-obtained products were etched by 1 M HCl solution for 24 h to remove Ge nanoparticles and unstable species. After washing with water and drying at 60 \u00b0C overnight, the solid product is denoted as NC.\nSynthesis of FexOy@NC composite: Typically, 100 mg NC powder was dispersed in 20 mL ethanol under sonication for 1 h. Then 10 mL FexOy vapor was introduced into the above suspension under vacuum condition. After being stirred for 2 h, the precipitates were collected via centrifugation and washed with ethanol for several times. Finally, the products were dried at 60 \u00b0C overnight and labeled as FexOy@NC.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, 0.298 g Zn(NO3)2 \u00b7 6H2O was completely dissolved into 40 mL methanol in a round-bottom flask A. Subsequently, 45 \u03bcL 350 mg/mL Fe(NO3)3 \u00b7 9H2O methanol solution was added into the flask A with vigorous stir for 5 min. 0.329 g 2-MeIm was dissolved in 40 mL methanol under stirring in a flask B. Then, the solution in flask B was added into flask A immediately and stirred for 24 h at room temperature (RT). The resultant precipitates, labelled as Fe-doped ZIF-350, was collected by centrifuging and washed with methanol for three times. Fe-doped ZIF-350 was dried at 60 \u00b0C for 12 h under vacuum oven.\n\nSAC synthesis: Fe-doped ZIF-350 was carbonized at 1100 \u00b0C for 1 h in a ceramic boat and the as-obtained black powder was labelled as FeNC-350."
+ },
+ {
+ "id": 439,
+ "sac_id": "Atom: None\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: None\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: Zinc acetate dihydrate (ZADH, 0.58 g), lycopodium powder (0.15 g), and dopamine (2.5 g) were added to deionized water (49 mL) under ultrasonication for 30 min. The resulting mixture was stirred at 278 rpm at 298 K for 12 h to obtain ZIF-8/DA.\n\nSynthesis of NC: A piece of ZIF-8/DA was put into an aluminum oxide crucible, which was then heated in a tube furnace at 1373 K for 2 h with a ramp rate of 5 K min -1 under flowing argon gas. After cooling down to room temperature, nitrogen-doped carbon (NC) powders were obtained.",
+ "ground_truth": "Precursor synthesis: In a typical procedure, 0.298 g Zn(NO3)2 \u00b7 6H2O was completely dissolved into 40 mL methanol in a round-bottom flask A. 0.329 g 2-MeIm was dissolved in 40 mL methanol under stirring in a flask B. Then, the solution in flask B was added into flask A immediately and stirred for 24 h at room temperature (RT). The resultant precipitates, labelled as ZIF-8, was collected by centrifuging and washed with methanol for three times. ZIF-8 was dried at 60 \u00b0C for 12 h under vacuum oven.\n\nSAC synthesis: ZIF-8 was carbonized at 1100 \u00b0C for 1 h in a ceramic boat and the as-obtained black powder was labelled as NC."
+ }
+ ],
+ "Unveiling-the-kilogram-scale-gold-single-atom-catalysts-via-ball-milling-for-preferential-oxidation-of-CO-in-excess-hydrogen": [
+ {
+ "id": 440,
+ "sac_id": "Atom: Au\nSupport Material: CeO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Au\nSupport Material: CeO2\n\n",
+ "predicted": "Precursor synthesis: Gold nanoparticles were prepared by the reduction method. Specifically, 1 mmol HAuCl4 was added to 5 mL freshly prepared NaBH4 (0.1 M) solution with magnetic stirring for 30 min at room temperature to obtain Au nanoparticles. The as-prepared Au nanoparticles were washed three times with deionized water and ethanol, respectively, and then dried in a vacuum oven at 60 \u00b0C overnight.\nSupport synthesis: Cerium oxide powder was dispersed in anhydrous ethanol (200 mL), followed by ultrasonication for 30 min. Next, the mixture was refluxed for 7 h. After cooling down to room temperature, the powder was collected via centrifugation and dried in a vacuum oven at 60 \u00b0C overnight.\nImpregnation: The dried cerium oxide powder was uniformly mixed with the gold precursor solution through mechanical stirring for 8 h. Subsequently, the mixture was heated at a rate of 2 \u00b0C/min to 90 \u00b0C and kept at this temperature for 12 h under vigorous stirring. Finally, the sample was cooled down to room temperature and dried in a vacuum oven at 60 \u00b0C overnight.\nCalcination: The obtained dried sample was calcined in air at a ramping rate of 5 \u00b0C/min to the targeted temperature and kept for 2 h.",
+ "ground_truth": "Precursor synthesis: Two kinds of acetate precursors bearing different metal centers, e.g. Au(Ac)3 and Ce(Ac)3 (Ac = acetate), which were mixed with a low weight ratio of 1: 1000 (i.e. 'precursor-dilution' strategy) by optimized ball milling process (detailed parameters see Tables S2 and S3).\nSAC synthesis: After thorough milling, Au (Ac)3 were molecularly dispersed in the bulk Ce(Ac)3, and as expected, the mean distance between Au atoms was increased markedly, effectively preventing the possible aggregation of Au species during the subsequent calcination treatment. After calcination, the two acetate salts were converted to the corresponding metal oxides, i.e., AuOx and CeO2, respectively. Finally, the atomically dispersed Au-based catalysts were successfully prepared (the productivity is ~53 wt%, residue carbon content \u2264 0.5 wt%, Table S4). The as-prepared samples were denoted as Au1/CeO2-x, and x is the gram value for different preparation scales (for example, Au1/CeO2-10 meaning Au1/CeO2 with the preparation scale of 10 g)."
+ }
+ ],
+ "Activation-of-peroxymonosulfate-by-iron-biochar-composites:-Comparison-of-nanoscale-Fe-with-single-atom-Fe": [
+ {
+ "id": 441,
+ "sac_id": "Atom: Fe\nSupport Material: Myriophyllum aquaticum-based biochar (MC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Myriophyllum aquaticum-based biochar (MC)\n\n",
+ "predicted": "Precursor synthesis: Myriophyllum aquaticum was harvested from the Yangtze River in Wuhan, Hubei Province, China. The plants were washed with deionized water to remove impurities and dried in an oven at 40 \u00b0C for 24 h. The dried M. aquaticum was then ground into powder and carbonized in a tubular furnace under a flowing N2 atmosphere. The heating rate was set to 5 \u00b0C min-1, and the final temperature was held for 2 h. After carbonization, the obtained sample was named MA. To further enhance the porous structure of MA, the sample was treated with 1 M HNO3 for 72 h under static conditions. The acid treatment was followed by washing with deionized water until the pH became neutral. The acid-treated sample was denoted as MA-A. Then, MA-A was mixed with iron(II) chloride solution and underwent hydrothermal treatment for 6 h at 180 \u00b0C. During this process, iron species were successfully loaded onto the porous structure of MA-A. After hydrothermal treatment, the sample was washed with deionized water three times to remove excess iron ions. Finally, the sample was dried in an oven at 40 \u00b0C overnight. The obtained sample was named MC.\nS synthesis on MC: A specific amount of thiourea was dissolved in deionized water, and the pH of the solution was adjusted to around 9 using ammonium hydroxide solution. Then, the mixture solution was dropped into the MC sample (1 g of MC was dispersed in 10 mL of deionized water). After adsorption for 24 h with constant stirring, the sample was washed with deionized water three times to remove unreacted thiourea. Subsequently, the sample was dried in an oven at 40 \u00b0C for 24 h. The obtained sample was named S/MC.",
+ "ground_truth": "Precursor synthesis: After washed three times using deionized water and dried at 80 \u00b0C, the Myriophyllum aquaticum plants were ground to powder and then passed through a 60-mesh sieve. Sequentially, the powder was transferred into a crucible and pyrolyzed in tube furnace at 400 \u00b0C for 2 h with ramp rate of 5 \u00b0C/min under N2 environment (40 mL/min). The carbonization product was obtained and named as C400. SAC synthesis: Then, the activation and graphitization process was processed using a facile pyrolysis method. Briefly, C400 (5 g) and K2FeO4 (8.911 g) were mixed and ground in ball mill for 1 h. The obtained mixture was pyrolyzed in a tube furnace at 800 \u00b0C for 2 h under N2 atmosphere (80 mL/min). After cooled overnight in the tube furnace, the obtained powders were washed by deionized water for several times until neutral and dried in a vacuum drying oven, and then named as nano-Fe/MC. The nano-Fe/MC were washed by 2 M HCl under magnetic stirring at 80 \u00b0C for 2 h in order to remove excessive iron and then washed with deionized water until neutral. Finally, the sample was collected and dried in a vacuum drying oven at 60 \u00b0C and denoted as ISA-Fe/MC."
+ }
+ ],
+ "Single-Fe-atoms-confined-in-two-dimensional-MoS2-for-sulfite-activation:-A-biomimetic-approach-towards-efficient-radical-generation": [
+ {
+ "id": 442,
+ "sac_id": "Atom: Fe\nSupport Material: MoS2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: MoS2\n\n",
+ "predicted": "Precursor synthesis: The precursors of Fe-doped MoS2 were prepared by a simple solvothermal method. In a typical synthesis, 0.5 mmol of ammonium molybdate ((NH4)6Mo7O24\u00b74H2O, AM), 1 mmol of thiourea (CH4N2S, TU), and 0.3 mmol of ferrous acetate (Fe(C2H3O2)2\u00b74H2O, FA) were dissolved in 80 mL of deionized water with continuous stirring for 30 min to form a uniform solution. Then the solution was transferred into a 100 mL Teflon-lined autoclave and heated at 200 \u00b0C for 18 h. After cooling down to room temperature naturally, the obtained products were collected via centrifugation and vacuum dried at 60 \u00b0C for 12 h. We denoted this product as Fe-TU-AM.\nDoping: The precursors Fe-TU-AM were used as precursors to prepare Fe-doped MoS2 nanosheets through a two-step process. Firstly, the precursors were annealed at 550 \u00b0C for 2 h under N2 atmosphere with a ramping rate of 2 \u00b0C min-1, followed by sulfurization treatment at 750 \u00b0C for another 2 h under NH3/N2 mixed gas flow (volume ratio of 1:9). The obtained sample was denoted as Fe-doped MoS2 (FEMoS2). Meanwhile, the precursors without iron dopant were also subjected to the same procedure, which were regarded as pristine MoS2 (MOS2).\nCharacterization: The crystal structure of the samples was analyzed by X-ray diffraction (XRD) using Cu K\u03b1 radiation (Bruker D8 Advanced). Raman spectra were recorded on a Renishaw inVia Qontor confocal Raman microscope equipped with a 532 nm laser. Scanning transmission electron microscopy (STEM) images were taken on JEOL JEM ARM200F operated at 200 kV. Energy-dispersive X-ray spectroscopy (EDS) analysis was performed on the samples. X-ray photoelectron spectroscopy (XPS) measurements were carried out on a Thermo ESCALAB Xi+ X-ray photoelectron spectrometer with Al K\u03b1 X-ray source. Electrochemical measurements were conducted in a three-electrode system using a CHI 660E electrochemical workstation (Gamry Instruments). A piece of glassy carbon with an area of 0.1 cm\u00b2 was used as working electrode, while an Ag/AgCl electrode and Pt foil were employed as reference and counter electrodes, respectively.",
+ "ground_truth": "Precursor synthesis: FeSO4\u00b77H2O, Na2MoO4\u00b72H2O, and L-cysteine (C3H7NO2S) were used as iron, molybdenum, and sulfur sources, respectively. A 200 mL aqueous solution consisting of Na2MoO4\u00b72H2O, FeSO4\u00b77H2O, and L-cysteine was used as a precursor for hydrothermal synthesis. The Fe x Mo1x S2 catalysts with different x were synthesized by varying Na2MoO4\u00b72H2O/FeSO4\u00b77H2O ratios from 1/1, 1/3, 3/1, to 1/0 with the sum of molar amounts at 12.5 mM. The concentration of L-cysteine was 66 mM for all the synthesis.\nSAC synthesis: The Fe x Mo1x S2 catalysts were synthesized via a one-pot hydrothermal method. The synthesis was carried out in a 300 mL autoclave at 200 \u00b0C for one day. The as-synthesized Fe x Mo1x S2 catalyst was thoroughly washed with 1 M H2SO4, Milli-Q water, and ethanol via filtration/re-suspension to remove any unreacted residual salts. Finally, the washed catalysts were dried in an oven at 65 \u00b0C and stored in a desiccated vessel until further use."
+ }
+ ],
+ "Reaction-kinetics-and-phase-behavior-in-the-chemoselective-hydrogenation-of-3-nitrostyrene-over-Co-N-C-single-atom-catalyst-in-compressed-CO2": [
+ {
+ "id": 443,
+ "sac_id": "Atom: Co\nSupport Material: N-C (nitrogen-doped carbon)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: N-C (nitrogen-doped carbon)\n\n",
+ "predicted": "Precursor synthesis: 1.5 g Zn(NO3)2 \u00b7 6H2O and 0.75 g Co(NO3)2 \u00b7 6H2O were dissolved in 48 mL methanol to form a homogeneous solution. Then, the solution was added with 1.5 g 2-methylimidazole under vigorous stirring for 12 h at room temperature. The obtained precipitates were centrifuged and washed with methanol three times and dried at 60 \u00b0C under vacuum overnight. 100 mg of the powder was calcined at 900 \u00b0C for 3 h under Ar flow (80 mL min -1 ) with a heating rate of 5 \u00b0C min -1. After cooling naturally to room temperature, the product was denoted as CoxZIF-8/NS.\nS synthesis: A piece of foam polyethylene terephthalate (PET) was transferred into an aluminum oxide crucible (diameter ~ 10 cm). Then, the CoxZIF-8/NS powder was evenly spread on the surface of PET foil with a thickness of about 1 mm. The loaded material was placed in a tube furnace and kept at 900 \u00b0C for 3 h under Ar flow (80 mL min -1 ) with a heating rate of 5 \u00b0C min -1). After cooling naturally to room temperature, the carbonized material on PET foil was directly immersed into 3 M hydrochloric acid at 80 \u00b0C for 24 h to remove the metal particles and defective carbon layers. After acid treatment, the material on PET foil was collected and dried at 60 \u00b0C under vacuum for 24 h. Finally, the samples were calcined at 900 \u00b0C for 1 h under Ar flow (80 mL min -1 ) with a heating rate of 10 \u00b0C min -1). After cooling to room temperature, the final sample named CoxN-C was collected.",
+ "ground_truth": "Precursor synthesis: Cobalt (II) acetate tetrahydrate (0.5 mmol, 125 mg), 1,10-phenanthroline hydrate (1.5 mmol, 300 mg) and ethanol (50 mL) were added to a round bottom flask. The mixture was stirred for 0.5 h at room temperature, followed by addition of 4.0 g Mg(OH)2 and refluxing at 60 \u00b0C for 4 h. After ethanol was removed by rotary evaporation, the remaining solid was dried at 60 \u00b0C, and was subjected to pyrolysis at 700 \u00b0C for 2 h under N2 atmosphere (100 mL/min) with ramp rate of 2 \u00b0C/min. After Mg(OH)2 was removed by washing with HCl solution (200 mL, 1 mol/L) twice, the remaining black solid was dried at 80 \u00b0C, and was denoted as Co-N-C catalyst.\nSAC synthesis: The catalyst was prepared according to the procedure we previously reported [24]. Briefly, Cobalt (II) acetate tetrahydrate (0.5 mmol, 125 mg), 1,10-phenanthroline hydrate (1.5 mmol, 300 mg) and ethanol (50 mL) were added to a round bottom flask. The mixture was stirred for 0.5 h at room temperature, followed by addition of 4.0 g Mg(OH)2 and refluxing at 60 \u00b0C for 4 h. After ethanol was removed by rotary evaporation, the remaining solid was dried at 60 \u00b0C, and was subjected to pyrolysis at 700 \u00b0C for 2 h under N2 atmosphere (100 mL/min) with ramp rate of 2 \u00b0C/min. After Mg(OH)2 was removed by washing with HCl solution (200 mL, 1 mol/L) twice, the remaining black solid was dried at 80 \u00b0C, and was denoted as Co-N-C catalyst."
+ }
+ ],
+ "Alkaline-earth-metal-based-single-atom-catalyst-for-the-highly-durable-oxygen-reduction-reaction": [
+ {
+ "id": 444,
+ "sac_id": "Atom: Fe\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,3-dicyanobenzene and a 20 mol% Pd catalyst were pyrolyzed at 800 \u00b0C for 2 h under an Ar atmosphere. The obtained material was washed with 6 M HCl to remove metallic residues.\nSAC synthesis: A mixture of graphite (4 g), urea (2 g), LMW-PDA (0.57 g in 5 mL of water), and ethanol (19 mL) was ground using an agate mortar for 2 h. The resulting slurry was then subjected to mechanochemical treatment in an agate ball mill for another 2 h. The product was further milled for 1 h after drying at 70 \u00b0C. The final products were used as SACs without any further treatments.",
+ "ground_truth": "Precursor synthesis: Initially the attempt has been made for the preparation of Fe precursor through the similar procedure [32] depicted for the (Fe, Co, Mn, Cu, Ni) phthalocyanine and referred as the Fe intermediate product.\nSAC synthesis: We have tried the same procedure to realize Fe-N-C moieties and studied the ORR performance. The synthesis procedure for the uniformly dispersed Fe-N-C catalyst is similar to that of Mg-N-C, involving the pyrolysis of Fe intermediate product and DCDA at elevated temperature. Depending on the temperature of pyrolysis, the catalyst are named as Fe-N-C/T ( T = 700, 800, 900, 1000 \u00b0C)."
+ },
+ {
+ "id": 445,
+ "sac_id": "Atom: Mg\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Mg\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,3-dicyanobenzene, magnesium powder, and sulfur were used as precursors.\n\nSynthesis: The preparation of S/Mg-N-C was similar to that of S/Fe-Mg-N-C except for the replacement of Fe(NO3)3\u00b76H2O with Mg powder. In a typical procedure, 1,3-dicyanobenzene (5 mmol), Mg powder (0.075 g, 3.28 mmol), and sulfur (10 mmol) were added into 50 mL ethanol and dispersed by ultrasonication for 30 min. Then, the suspension was stirred at room temperature for 1 h followed by adding 1 mL acetic acid and heating at 90 \u00b0C for 4 h. After cooling down to room temperature, the obtained solid was centrifuged and washed with water three times before drying in vacuum at 70 \u00b0C overnight. The as-prepared product was mixed with melamine (10 g) and calcined at 800 \u00b0C for 2 h under Ar atmosphere. The obtained black powder was denoted as S/Mg-N-C.",
+ "ground_truth": "Precursor synthesis: Initially the attempt has been made for the preparation of Mg precursor through the similar procedure [32] depicted for the (Fe, Co, Mn, Cu, Ni) phthalocyanine and referred as the Mg intermediate product (SEM image, fig. S1. a,b).\nSAC synthesis: The synthesis procedure for the uniformly dispersed Mg-N-C catalyst is illustrated in Scheme 1 and the experimental details are given in the supporting information. Initially the attempt has been made for the preparation of Mg precursor through the similar procedure [32] depicted for the (Fe, Co, Mn, Cu, Ni) phthalocyanine and referred as the Mg intermediate product (SEM image, fig. S1. a,b), followed by the pyrolysis of Mg intermediate product and DCDA at elevated temperature. Depending on the temperature of pyrolysis, the catalyst are named as Mg-N-C/T ( T = 700, 800, 900, 1000 \u00b0C)."
+ }
+ ],
+ "Rational-design-of-ultrahigh-loading-metal-single-atoms-(Co,-Ni,-Mo)-anchored-on-in-situ-pre-crosslinked-guar-gum-derived-N-doped-carbon-aerogel-for-efficient-overall-water-splitting": [
+ {
+ "id": 446,
+ "sac_id": "Atom: Mo\nSupport Material: N-doped carbon aerogel (NCA)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Mo\nSupport Material: N-doped carbon aerogel (NCA)\n\n",
+ "predicted": "Precursor synthesis: Zn(NO3)2\u00b76H2O (1 mmol), CTAB (0.4 mmol), and dopamine hydrochloride (DA-Cl, 0.9 mmol) were dissolved in 50 mL of deionized water, followed by the addition of NaOH aqueous solution (2 M, 0.1 mL) to adjust the pH to 11. After stirring for 30 min, the mixture was transferred into an autoclave and kept at 100 \u00b0C for 6 h. After cooling down, the product was collected via centrifugation and rinsed with deionized water and ethanol three times, respectively.\nSAC synthesis: The as-obtained polydopamine nanoparticles were freeze-dried and then pyrolyzed at 800 \u00b0C for 3 h under argon atmosphere with a heating rate of 5 \u00b0C min -1. The black powder was collected and denoted as S@Mo-N-C.\nPostprocessing: The obtained S@Mo-N-C was mixed with sodium borohydride (NaBH4, 1 g) in 10 mL of deionized water. After stirring for 12 h, the final product was collected via centrifugation and rinsed with deionized water.",
+ "ground_truth": "Precursor synthesis: Guar gum and melamine served as the precursor of carbon and nitrogen, respectively. The metal precursor (Mo) is added to the carbon precursor solution (a mixture of guar gum and melamine, 1:1, mass ratio) to form a homogeneous and stable metal ion-crosslinked hydrogel via the chemical crosslinking between metal ions and substrate functional groups.\nSAC synthesis: A series of metal single-atoms anchored on porous N-doped carbon aerogel (M-SA@NCA, M = Mo) electrocatalyst were prepared via combining in-situ pre-crosslinking and pyrolysis method. The metal precursor as a crosslinker is first added to the carbon precursor solution (a mixture of guar gum and melamine, 1:1, mass ratio) to form a homogeneous and stable metal ion-crosslinked hydrogel via the chemical crosslinking between metal ions and substrate functional groups. Then, the above ion-crosslinked hydrogels were freeze-dried and subsequent pyrolyzed to obtain carbon aerogels with metal single-atoms dispersion (M-SA@NCA, M = Mo)."
+ },
+ {
+ "id": 447,
+ "sac_id": "Atom: Co\nSupport Material: N-doped carbon aerogel (NCA)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: N-doped carbon aerogel (NCA)\n\n",
+ "predicted": "Precursor synthesis: 0.5 g of Zn(NO3)2\u00b76H2O and 1 g of 2-methylimidazole were dissolved in 40 mL of methanol, respectively. The Zn(NO3)2 solution was added into the MeIM solution under stirring at room temperature for 1 h. After standing for 24 h, the white precipitates were obtained and washed with methanol several times. The ZIF-8 product was dried at 60 \u00b0C overnight. The ZIF-8 powder was placed in a tube furnace and heated to 900 \u00b0C for 3 h with a heating rate of 5 \u00b0C min -1 under flowing Ar gas. After cooling down to room temperature naturally, the black powder product was obtained as NC.\nSensing test: A piece of NC was cut into small pieces (\u2248 7 mm \u00d7 3 mm). A working electrode (WE), counter electrode (CE), and reference electrode (RE) were prepared by placing 2 mg, 4 mg, and 1 mg of NC piece into deionized water, ethanol, and acetonitrile, respectively. A voltage ramp from 0.0 to -0.8 V was applied on WE for 120 s to initiate the reduction process. During the sensing tests, 10 \u03bcL of target analytes was dropped onto the surface of NC on WE. After drying naturally, another sensing test was conducted by applying a voltage ramp from 0.0 to -0.8 V again.",
+ "ground_truth": "Precursor synthesis: Guar gum and melamine served as the precursor of carbon and nitrogen, respectively. The metal precursor (Co) is added to the carbon precursor solution (a mixture of guar gum and melamine, 1:1, mass ratio) to form a homogeneous and stable metal ion-crosslinked hydrogel via the chemical crosslinking between metal ions and substrate functional groups.\nSAC synthesis: A series of metal single-atoms anchored on porous N-doped carbon aerogel (M-SA@NCA, M = Co) electrocatalyst were prepared via combining in-situ pre-crosslinking and pyrolysis method. The metal precursor as a crosslinker is first added to the carbon precursor solution (a mixture of guar gum and melamine, 1:1, mass ratio) to form a homogeneous and stable metal ion-crosslinked hydrogel via the chemical crosslinking between metal ions and substrate functional groups. Then, the above ion-crosslinked hydrogels were freeze-dried and subsequent pyrolyzed to obtain carbon aerogels with metal single-atoms dispersion (M-SA@NCA, M = Co)."
+ },
+ {
+ "id": 448,
+ "sac_id": "Atom: Ni\nSupport Material: N-doped carbon aerogel (NCA)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: N-doped carbon aerogel (NCA)\n\n",
+ "predicted": "Precursor synthesis: The Ni-MOF was prepared by the method reported in the literature. [1] Typically, 0.2 mmol of nickel(II) nitrate hexahydrate and 0.3 mmol of terephthalic acid were dissolved in 50 mL DMF with magnetic stirring for 3 h. Then, 50 mL of DMF was added to each well of a 6-well plate, followed by adding 40 \u03bcL of triethylamine into one well. Next, 10 mL of the above mixed solution containing Ni 2+ and 1 mL of DMF containing 0.2 M Zn(NO3)2 \u00b7 6H2O were added to the well with TEA and stirred for 1 min. Then, another 1 mL of DMF containing TEA (0.8 M) was added and stirred for 3 h. Finally, the washing process was carried out by using methanol and acetone three times sequentially.\n\nNi@NCA preparation: Firstly, 1 g of PTFE was added to the Ni-MOF suspension, and then ultrasonically dispersed for 10 min. Secondly, the obtained suspension was transferred into a freeze dryer, and freeze-dried at -50\u00b0C. Thirdly, the dried powder was heated from room temperature to 900\u00b0C at a rate of 5 K/min under Ar flow within 1 h, and kept at this temperature for 3 h. After cooling to room temperature, the product was etched in 2 M HCl at 80\u00b0C for 24 h to remove the PTFE template. Finally, the sample was washed with water until the pH reached neutrality, and dried in an oven at 70\u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: Guar gum and melamine served as the precursor of carbon and nitrogen, respectively. The metal precursor (Ni) is added to the carbon precursor solution (a mixture of guar gum and melamine, 1:1, mass ratio) to form a homogeneous and stable metal ion-crosslinked hydrogel via the chemical crosslinking between metal ions and substrate functional groups.\nSAC synthesis: A series of metal single-atoms anchored on porous N-doped carbon aerogel (M-SA@NCA, M = Ni) electrocatalyst were prepared via combining in-situ pre-crosslinking and pyrolysis method. The metal precursor as a crosslinker is first added to the carbon precursor solution (a mixture of guar gum and melamine, 1:1, mass ratio) to form a homogeneous and stable metal ion-crosslinked hydrogel via the chemical crosslinking between metal ions and substrate functional groups. Then, the above ion-crosslinked hydrogels were freeze-dried and subsequent pyrolyzed to obtain carbon aerogels with metal single-atoms dispersion (M-SA@NCA, M = Ni)."
+ }
+ ],
+ "High-temperature-flame-spray-pyrolysis-induced-stabilization-of-Pt-single-atom-catalysts": [
+ {
+ "id": 449,
+ "sac_id": "Atom: Pt\nSupport Material: SiO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: SiO2\n\n",
+ "predicted": "Precursor synthesis: The silica support was prepared by the St\u00f6ber method. [3H-1,2-benzodithiol (3 dBDT)] was synthesized according to a literature report. [4]\n\nSynthesis of Pt10-S1/SiO2: In a typical procedure, 1 g of SiO2 was added into 50 mL of deionized water and stirred for 30 min. Then, an aqueous solution of H2PtCl6 (containing 0.8 mmol of Pt) was slowly added to the suspension of SiO2 under stirring. After the addition of the H2PtCl6 solution, the suspension was stirred at room temperature for 4 h. At the end of this period, 10 mL of freshly prepared NaBH4 (0.1 M) aqueous solution was added to the above mixture dropwise with vigorous stirring. The suspension was kept stirring for another 2 h. After filtration and washing with deionized water three times, the solid residue was dried at 70 \u00b0C overnight and denoted as Pt10/SiO2. Subsequently, 0.2 g of the as-prepared Pt10/SiO2 was dispersed in 20 mL of acetonitrile, followed by adding 0.2 g of 3H-1,2-benzodithiol (3 dBDT). The mixture was stirred for 2 h and then dried at 70 \u00b0C overnight. Finally, pyrolysis was conducted at 900 \u00b0C for 4 h in N2 atmosphere. The obtained solid was denoted as Pt10-S1/SiO2.",
+ "ground_truth": "Precursor synthesis: Platinum acetylacetonate (Pt(O2C5H7)2, Sigma-Aldrich, > 97.0 %), Zirconium butoxide (Zr(OC4H9)4, Sigma-Aldrich, 80.0 wt% in 1-butanol)\nSAC synthesis: Supported Pt catalysts were prepared using a flame reactor with platinum acetylacetonate (Pt(O2C5H7)2, Sigma-Aldrich, > 97.0 %) and zirconium butoxide (Zr(OC4H9)4, Sigma-Aldrich, 80.0 wt% in 1-butanol) as the starting precursors of Pt and Zr, respectively. The desired amounts of each precursor were dissolved in xylene with a total precursor concentration (include both metal and support) of 0.5 M and a flow rate of 3 ml/min (denoted as condition 1). Pt doping content was fixed at 0.2 wt% in all samples. Mixture of precursors was injected through capillary of the gas-assist nozzle through a syringe pump at a flow rate of 3 mL/min. Methane and oxygen gas flow rate were adjusted to 1.5 L/min and 3 L/min, respectively. These gases served as fuel for the pre-mixed ignition flamelet and to support the spray flame. Oxygen disperse gas was adjusted to 5 L/min. The pressure drop across the nozzle was maintained at 1.5 bar. Thus obtained product was collected as powder using gas fiber filter with the aid of a vacuum pump. Two key parameters, including the total metal concentration and flow rate of the precursor solution, were varied for the synthesis of Pt/ZrO2. Apart from condition 1 (concentration 0.5 M, flow rate 3 mL/min), two more conditions were tested (condition 2: concentration 0.3 M, flow rate 3 mL/min; condition 3: concentration 0.3 M, flow rate 2 mL/min)."
+ },
+ {
+ "id": 450,
+ "sac_id": "Atom: Pt\nSupport Material: Al2O3\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Al2O3\n\n",
+ "predicted": "Precursor synthesis: The Pt K-edge XANES spectra of the fresh catalysts and calcined samples are shown in Figure 1. For the fresh catalysts, the absorption edge energy was at 84 keV, which is characteristic for Pt(II). After calcination, the absorption edge shifted to a higher energy (84.5 keV), indicating that Pt species had been oxidized into Pt(IV) species.\n\nXAS data processing: The first derivative of the absorbance was calculated using ATHENA software and the edge jump was normalized. Background was subtracted by a third order polynomial fitting. The Fourier filtered imaginary part \u03c7\" (k) was obtained by fast Fourier transform (FFT) of the first derivative. The \u03c7(k) was obtained by numerical convolution of \u03c7\"(k) with a Hanning window function. The extended X-ray absorption fine structure (EXAFS) oscillations were analyzed by using Artemis software. The R-space was obtained by Fourier transformation of the \u03c7(R). The path length R was determined by the first minimum of the radial structure function \u03c7(R). The interatomic distance (D) was estimated by = \u00b1 where n is the coordination number and s is the shell standard deviation.",
+ "ground_truth": "Precursor synthesis: Platinum acetylacetonate (Pt(O2C5H7)2, Sigma-Aldrich, > 97.0 %), Zirconium butoxide (Zr(OC4H9)4, Sigma-Aldrich, 80.0 wt% in 1-butanol)\nSAC synthesis: Supported Pt catalysts were prepared using a flame reactor with platinum acetylacetonate (Pt(O2C5H7)2, Sigma-Aldrich, > 97.0 %) and zirconium butoxide (Zr(OC4H9)4, Sigma-Aldrich, 80.0 wt% in 1-butanol) as the starting precursors of Pt and Zr, respectively. The desired amounts of each precursor were dissolved in xylene with a total precursor concentration (include both metal and support) of 0.5 M and a flow rate of 3 ml/min (denoted as condition 1). Pt doping content was fixed at 0.2 wt% in all samples. Mixture of precursors was injected through capillary of the gas-assist nozzle through a syringe pump at a flow rate of 3 mL/min. Methane and oxygen gas flow rate were adjusted to 1.5 L/min and 3 L/min, respectively. These gases served as fuel for the pre-mixed ignition flamelet and to support the spray flame. Oxygen disperse gas was adjusted to 5 L/min. The pressure drop across the nozzle was maintained at 1.5 bar. Thus obtained product was collected as powder using gas fiber filter with the aid of a vacuum pump. Two key parameters, including the total metal concentration and flow rate of the precursor solution, were varied for the synthesis of Pt/ZrO2. Apart from condition 1 (concentration 0.5 M, flow rate 3 mL/min), two more conditions were tested (condition 2: concentration 0.3 M, flow rate 3 mL/min; condition 3: concentration 0.3 M, flow rate 2 mL/min)."
+ },
+ {
+ "id": 451,
+ "sac_id": "Atom: Pt\nSupport Material: ZrO2\nSynthesis Method: High temperature\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: ZrO2\n\n",
+ "predicted": "Precursor synthesis: The Pt/ZrO2 catalysts were prepared by incipient wetness impregnation using chloroplatinic acid as the precursor. After impregnation, the samples were dried at 100 \u00b0C for 3 h and calcined at 500 \u00b0C for 4 h to obtain the Pt/ZrO2 catalysts.\n\nCatalyst characterization: The CO chemisorption amount on the catalyst surface was measured by a micro-balance coupled with a mass spectrometer (BELSORP-max). The catalysts were pretreated at 300 \u00b0C for 1 h under flowing He gas, then cooled down to room temperature and the chemisorbed CO amount was determined. Finally, the sample was heated to 80 \u00b0C under flowing He gas and the CO release amount was recorded. The CO uptake at 373 K was used to evaluate the dispersion of Pt species.\n\nCatalytic evaluation: The CO oxidation activities of the catalysts were evaluated in a fixed-bed reactor. A mixture of 5% CO and 95% air (v/v) was fed continuously to the reactor. The flow rate was 66.7 mL gcat -1 min -1. The concentration of CO in the outlet gas stream was analyzed by an online gas chromatograph (Shimadzu GC-2010) equipped with a TCD detector and a molecular sieve 5A column. The oven temperature of the GC was kept at 60 \u00b0C and H2 was used as the carrier gas at a flow rate of 30 mL min -1. The conversion of CO was calculated based on the CO concentrations in the feed and outlet gas streams.",
+ "ground_truth": "Precursor synthesis: Platinum acetylacetonate (Pt(O2C5H7)2, Sigma-Aldrich, > 97.0 %), Zirconium butoxide (Zr(OC4H9)4, Sigma-Aldrich, 80.0 wt% in 1-butanol)\nSAC synthesis: Supported Pt catalysts were prepared using a flame reactor with platinum acetylacetonate (Pt(O2C5H7)2, Sigma-Aldrich, > 97.0 %) and zirconium butoxide (Zr(OC4H9)4, Sigma-Aldrich, 80.0 wt% in 1-butanol) as the starting precursors of Pt and Zr, respectively. The desired amounts of each precursor were dissolved in xylene with a total precursor concentration (include both metal and support) of 0.5 M and a flow rate of 3 ml/min (denoted as condition 1). Pt doping content was fixed at 0.2 wt% in all samples. Mixture of precursors was injected through capillary of the gas-assist nozzle through a syringe pump at a flow rate of 3 mL/min. Methane and oxygen gas flow rate were adjusted to 1.5 L/min and 3 L/min, respectively. These gases served as fuel for the pre-mixed ignition flamelet and to support the spray flame. Oxygen disperse gas was adjusted to 5 L/min. The pressure drop across the nozzle was maintained at 1.5 bar. Thus obtained product was collected as powder using gas fiber filter with the aid of a vacuum pump. Two key parameters, including the total metal concentration and flow rate of the precursor solution, were varied for the synthesis of Pt/ZrO2. Apart from condition 1 (concentration 0.5 M, flow rate 3 mL/min), two more conditions were tested (condition 2: concentration 0.3 M, flow rate 3 mL/min; condition 3: concentration 0.3 M, flow rate 2 mL/min)."
+ },
+ {
+ "id": 452,
+ "sac_id": "Atom: Pt\nSupport Material: TiO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: TiO2\n\n",
+ "predicted": "Precursor synthesis: The Pt/TiO2 catalysts were prepared by the method of wet impregnation. Typically, 1 g of commercial TiO2 powder (purity > 99.5 wt%) was dispersed in 50 mL of deionized water and the suspension was stirred for 30 min at room temperature. Then, a certain amount of H2PtCl6 solution (1 mg mL -1 ) was added dropwise to the above suspension. After stirring for another 1 h at room temperature, the suspension was heated to 70 \u00b0C and kept stirring continuously until it was dried. The obtained sample was further dried at 80 \u00b0C overnight and calcined at 400 \u00b0C for 3 h with a ramping rate of 5 \u00b0C min -1. The final catalysts were denoted as x Pt/TiO2, where x represents the weight percent of Pt in the catalyst.",
+ "ground_truth": "Precursor synthesis: Platinum acetylacetonate (Pt(O2C5H7)2, Sigma-Aldrich, > 97.0 %), Zirconium butoxide (Zr(OC4H9)4, Sigma-Aldrich, 80.0 wt% in 1-butanol)\nSAC synthesis: Supported Pt catalysts were prepared using a flame reactor with platinum acetylacetonate (Pt(O2C5H7)2, Sigma-Aldrich, > 97.0 %) and zirconium butoxide (Zr(OC4H9)4, Sigma-Aldrich, 80.0 wt% in 1-butanol) as the starting precursors of Pt and Zr, respectively. The desired amounts of each precursor were dissolved in xylene with a total precursor concentration (include both metal and support) of 0.5 M and a flow rate of 3 ml/min (denoted as condition 1). Pt doping content was fixed at 0.2 wt% in all samples. Mixture of precursors was injected through capillary of the gas-assist nozzle through a syringe pump at a flow rate of 3 mL/min. Methane and oxygen gas flow rate were adjusted to 1.5 L/min and 3 L/min, respectively. These gases served as fuel for the pre-mixed ignition flamelet and to support the spray flame. Oxygen disperse gas was adjusted to 5 L/min. The pressure drop across the nozzle was maintained at 1.5 bar. Thus obtained product was collected as powder using gas fiber filter with the aid of a vacuum pump. Two key parameters, including the total metal concentration and flow rate of the precursor solution, were varied for the synthesis of Pt/ZrO2. Apart from condition 1 (concentration 0.5 M, flow rate 3 mL/min), two more conditions were tested (condition 2: concentration 0.3 M, flow rate 3 mL/min; condition 3: concentration 0.3 M, flow rate 2 mL/min)."
+ },
+ {
+ "id": 453,
+ "sac_id": "Atom: Pt\nSupport Material: ZrO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: ZrO2\n\n",
+ "predicted": "Precursor synthesis: The Pt/ZrO2 catalysts were prepared by incipient wetness impregnation using chloroplatinic acid as the precursor. After impregnation, the samples were dried at 100 \u00b0C for 3 h and calcined at 500 \u00b0C for 4 h to obtain the Pt/ZrO2 catalysts.\n\nCatalyst characterization: The CO chemisorption amount on the catalyst surface was measured by a micro-balance coupled with a mass spectrometer (BELSORP-max). The catalysts were pretreated at 300 \u00b0C for 1 h under flowing He gas, then cooled down to room temperature and the chemisorbed CO amount was determined. Finally, the sample was heated to 80 \u00b0C under flowing He gas and the CO release amount was recorded. The CO uptake at 373 K was used to evaluate the dispersion of Pt species.\n\nCatalytic evaluation: The CO oxidation activities of the catalysts were evaluated in a fixed-bed reactor. A mixture of 5% CO and 95% air (v/v) was fed continuously to the reactor. The flow rate was 66.7 mL gcat -1 min -1. The concentration of CO in the outlet gas stream was analyzed by an online gas chromatograph (Shimadzu GC-2010) equipped with a TCD detector and a molecular sieve 5A column. The oven temperature of the GC was kept at 60 \u00b0C and H2 was used as the carrier gas at a flow rate of 30 mL min -1. The conversion of CO was calculated based on the CO concentrations in the feed and outlet gas streams.",
+ "ground_truth": "Precursor synthesis: Platinum acetylacetonate (Pt(O2C5H7)2, Sigma-Aldrich, > 97.0 %), Zirconium butoxide (Zr(OC4H9)4, Sigma-Aldrich, 80.0 wt% in 1-butanol)\nSAC synthesis: Supported Pt catalysts were prepared using a flame reactor with platinum acetylacetonate (Pt(O2C5H7)2, Sigma-Aldrich, > 97.0 %) and zirconium butoxide (Zr(OC4H9)4, Sigma-Aldrich, 80.0 wt% in 1-butanol) as the starting precursors of Pt and Zr, respectively. The desired amounts of each precursor were dissolved in xylene with a total precursor concentration (include both metal and support) of 0.5 M and a flow rate of 3 ml/min (denoted as condition 1). Pt doping content was fixed at 0.2 wt% in all samples. Mixture of precursors was injected through capillary of the gas-assist nozzle through a syringe pump at a flow rate of 3 mL/min. Methane and oxygen gas flow rate were adjusted to 1.5 L/min and 3 L/min, respectively. These gases served as fuel for the pre-mixed ignition flamelet and to support the spray flame. Oxygen disperse gas was adjusted to 5 L/min. The pressure drop across the nozzle was maintained at 1.5 bar. Thus obtained product was collected as powder using gas fiber filter with the aid of a vacuum pump. Two key parameters, including the total metal concentration and flow rate of the precursor solution, were varied for the synthesis of Pt/ZrO2. Apart from condition 1 (concentration 0.5 M, flow rate 3 mL/min), two more conditions were tested (condition 2: concentration 0.3 M, flow rate 3 mL/min; condition 3: concentration 0.3 M, flow rate 2 mL/min)."
+ }
+ ],
+ "Engineering-the-coordination-environment-enables-molybdenum-single-atom-catalyst-for-efficient-oxygen-reduction-reaction": [
+ {
+ "id": 454,
+ "sac_id": "Atom: Mo\nSupport Material: Porous carbon (C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Mo\nSupport Material: Porous carbon (C)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 12 mmol of Zn(NO3)2\u00b76H2O and 0.5 mmol of MoCl5 were dissolved in 75 mL of methanol to form a transparent solution, which was subsequently injected into 75 mL of methanol containing 9 mmol of 2-methylimidazole under vigorously stirring at room temperature for 8 h. The obtained product was centrifuged and washed with ethanol and water three times and then dried at 60 \u00b0C in vacuum oven overnight.\nSacrificial template formation: The as-prepared ZIF-8/Mo precursors were dispersed in 50 mL of deionized water and kept at 80 \u00b0C for 4 h.\nPyrolysis: Subsequently, the obtained samples were heated up to 950 \u00b0C at a rate of 5 \u00b0C min^-1 and kept for 3 h under Ar atmosphere. After cooling down to room temperature, the black powder was obtained and etched in 2 M HCl solution for 24 h to remove metal species. The final products were collected by washing with water and ethanol and dried at 60 \u00b0C in vacuum after filtration.",
+ "ground_truth": "Precursor synthesis: A polyoxometalate-based metal-organic frameworks (POMOFs) consisting of Mo ion and trimesic acid (BTC) linkers was used as a precursor.\nSAC synthesis: The overall synthesis route to prepare Mo single-atom catalyst is illustrated in Fig. 1. The scanning electron microscopy (SEM) and transmission electron microscopy (TEM) images revealed an octahedral morphology of as-prepared POMOFs particles (Fig. 2a and b). The powder X-ray diffraction (XRD) pattern of the as-synthesized POMOFs matched well with that of simulated POMOFs (Fig. S1). After pyrolysis in N2 atmosphere, ultrasmall copper and MoO3 nanoparticles uniformly embedded in porous carbon frameworks were obtained owing to the in situ decomposition of Mo-O clusters and BTC ligands in precursor (Fig. S2a). Through stepwise removing of the metallic copper nanoparticles with 3 M hydrochloric acid and subsequent MoO3 nanoparticles with ammonia solution, hollow octahedron frameworks were obtained (Fig. S2b). The corresponding XRD pattern further confirmed the stepwise remove of copper and MoO3 nanoparticles within the mesoporous carbon framework (Fig. S3). Thereafter, atomically dispersed Mo atoms bonded to O and N atoms in porous carbon frameworks (named as Mo-O/N-C) were finally prepared by further annealing under NH3 atmosphere."
+ }
+ ],
+ "Engineering-the-coordination-environment-in-atomic-Fe-Ni-dual-sites-for-efficient-oxygen-electrocatalysis-in-Zn-air-and-Mg-air-batteries": [
+ {
+ "id": 455,
+ "sac_id": "Atom: Ni\nSupport Material: Defect-rich porous nitrogen and sulfur doped carbon frameworks (DNSC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Defect-rich porous nitrogen and sulfur doped carbon frameworks (DNSC)\n\n",
+ "predicted": "Precursor synthesis: 1.5 g of 2-methylimidazole was dissolved in 40 mL methanol, which was then poured into a Teflon-lined stainless steel autoclave with the addition of 1.5 g of Zn(NO3)2\u00b76H2O that had been previously dissolved in 40 mL methanol. The mixture was reacted at 120 \u00b0C for 24 h, followed by filtration and thorough washing with methanol. The resulting product (denoted as ZIF-8) was dried at 70 \u00b0C overnight under vacuum.\n\nSynthesis of DNSC: 100 mg of ZIF-8 powder was mixed with 100 mg of thiourea in 20 mL of ethanol under sonication to form a homogeneous suspension. This suspension was transferred into a Teflon-lined stainless steel autoclave and heated at 120 \u00b0C for 24 h. After cooling down to room temperature, the obtained material (denoted as DZIF-8/ST) was collected via centrifugation, washed with deionized water and ethanol, and finally dried under vacuum at 70 \u00b0C overnight. A one-pot pyrolysis method was employed to prepare the final products, whereby the DZIF-8/ST sample was calcined at 900 \u00b0C for 2 h with a ramping rate of 5 \u00b0C min^-1 under flowing Ar atmosphere. The products were designated as DNSC.",
+ "ground_truth": "Precursor synthesis: In this work, ZIF-8 nanocrystals were prepared using a previously reported method[26]. In a typical procedure, 2-methylimidazole (2.0 g) was added into methanol (MeOH) (50 mL) with stirring to form a homogeneous solution. Then, 0.84 g of Zn(NO3)2 \u00b7 6H2O dissolved in 20 mL of MeOH were added to the above Zn 2 + solution with continuous stirring for 6 h. The obtained product was washed several times with ethanol several times and finally dried at 60 \u00b7 C under vacuum. 100 mg of the as-obtained ZIF-8 and 120 mg of 2-methylimidazole were dispersed into the mixture of 20 mL ethanol and 30 mL H2O. The mixture was sonicated for 10 min. Then, 0.275 mL CTAC and 0.2 mL TEOS were added and stirred for 2 h. The resultant product was centrifuged and washed with methanol several times and finally dried under vacuum at 60 \u00b7 C for 12 h. The mixture of ZIF-8@SiO2 and thiourea were dispersed in 50 mL ethanol by ultrasonication. The weight ratio of thiourea and ZIF-8@SiO2 is 1:5. Then, the resultant solution was dried at 100 \u00b7 C under stirring. The obtained S-ZIF-8@SiO2 was calcined at 900 \u00b7 C for 3 h with a heating ramp of 5 \u00b7 C min GLYPH<0> 1 under N2 flowing gas and naturally cooled to room temperature. The resultants were washed were then stirred in HF solution (10 wt%) for 4 h to remove the protective layer (SiO2). The defect-rich porous N, S co-doped carbon (denoted as DNSC) was obtained by dispersed into 20 mL H2O2 (30 wt% in H2O) and 10 mL water stirring for 6 h. Finally, the resultants were centrifuged and dried under vacuum at 60 \u00b7 C for 12 h before further use. SAC synthesis: The obtained DNSC (25 mg) was added into DMF solution (60 mL) encompassed 5 mg nickel (II) phthalocyanine (NiPc). Then, the mixture solution was sonicated for 1 h and further stirred for 12 h at room temperature. Finally, the composite was collected by centrifuged with ethanol several times and then dried under vacuum at 60 \u00b7 C for 12 h. The powder of NiPc@DNSC was transferred into was placed in a tube furnace and then calcined at 700 \u00b7 C for 2 h under the flowing N2 gas. The sample was naturally cooled to room temperature and then washed in 1 M H2SO4 for 10 h at 70 \u00b7 C to remove metal nanoparticles (if existing). After drying under vacuum at 60 \u00b7 C for 12 h, Ni-SAs/DNSC was obtained."
+ },
+ {
+ "id": 456,
+ "sac_id": "Atom: Fe\nSupport Material: Defect-rich porous nitrogen and sulfur doped carbon frameworks (DNSC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Defect-rich porous nitrogen and sulfur doped carbon frameworks (DNSC)\n\n",
+ "predicted": "Precursor synthesis: 0.26 g of heme chloride trihydrate was mixed with 1.5 g of L-cysteine in 30 mL of ethanol under sonication for 15 min. The mixture was then transferred into a 50 mL Teflon autoclave and heated at 180 \u00b0C for 4 h. After cooling to room temperature, the resulting black product was collected by centrifugation and dried in vacuum at 70 \u00b0C for 12 h.\n\nSynthesis of DNSC: A mixture of ZIF-8, Fe-LC@Cys, and thiourea in a mass ratio of 9:0.6:0.4 was placed in a tube furnace and annealed at 1100 \u00b0C for 2 h with a heating rate of 3 \u00b0C/min under flowing Ar gas. After cooling to room temperature, the black powder was collected and washed with excessive water to remove unstable metal species. The sample was then dried in vacuum at 70 \u00b0C overnight and designated as DNSC.",
+ "ground_truth": "Precursor synthesis: In this work, ZIF-8 nanocrystals were prepared using a previously reported method[26]. In a typical procedure, 2-methylimidazole (2.0 g) was added into methanol (MeOH) (50 mL) with stirring to form a homogeneous solution. Then, 0.84 g of Zn(NO3)2 \u00b7 6H2O dissolved in 20 mL of MeOH were added to the above Zn 2 + solution with continuous stirring for 6 h. The obtained product was washed several times with ethanol several times and finally dried at 60 \u00b7 C under vacuum. 100 mg of the as-obtained ZIF-8 and 120 mg of 2-methylimidazole were dispersed into the mixture of 20 mL ethanol and 30 mL H2O. The mixture was sonicated for 10 min. Then, 0.275 mL CTAC and 0.2 mL TEOS were added and stirred for 2 h. The resultant product was centrifuged and washed with methanol several times and finally dried under vacuum at 60 \u00b7 C for 12 h. The mixture of ZIF-8@SiO2 and thiourea were dispersed in 50 mL ethanol by ultrasonication. The weight ratio of thiourea and ZIF-8@SiO2 is 1:5. Then, the resultant solution was dried at 100 \u00b7 C under stirring. The obtained S-ZIF-8@SiO2 was calcined at 900 \u00b7 C for 3 h with a heating ramp of 5 \u00b7 C min GLYPH<0> 1 under N2 flowing gas and naturally cooled to room temperature. The resultants were washed were then stirred in HF solution (10 wt%) for 4 h to remove the protective layer (SiO2). The defect-rich porous N, S co-doped carbon (denoted as DNSC) was obtained by dispersed into 20 mL H2O2 (30 wt% in H2O) and 10 mL water stirring for 6 h. Finally, the resultants were centrifuged and dried under vacuum at 60 \u00b7 C for 12 h before further use. SAC synthesis: The obtained DNSC (25 mg) was added into DMF solution (60 mL) encompassed 5 mg iron (II) phthalocyanine (FePc). Then, the mixture solution was sonicated for 1 h and further stirred for 12 h at room temperature. Finally, the composite was collected by centrifuged with ethanol several times and then dried under vacuum at 60 \u00b7 C for 12 h. The powder of FePc@DNSC was transferred into was placed in a tube furnace and then calcined at 700 \u00b7 C for 2 h under the flowing N2 gas. The sample was naturally cooled to room temperature and then washed in 1 M H2SO4 for 10 h at 70 \u00b7 C to remove metal nanoparticles (if existing). After drying under vacuum at 60 \u00b7 C for 12 h, Fe-SAs/DNSC was obtained."
+ }
+ ],
+ "Determining-number-of-sites-on-ceria-stabilizing-single-atoms-via-metal-nanoparticle-redispersion": [
+ {
+ "id": 457,
+ "sac_id": "Atom: Ru\nSupport Material: CeO2 (Ceria) calcined at 400, 500, and 600 \u00b0C\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ru\nSupport Material: CeO2 (Ceria) calcined at 400, 500, and 600 \u00b0C\n\n",
+ "predicted": "Precursor synthesis: Ceria sol-gel synthesis was performed by dissolving 1.8 g of Ce(NO3)3\u00b76H2O in 10 mL of ethanol and 0.09 g of H2RuCl6\u00b76H2O in 2 mL of water under ultrasound for 15 min. The Ce(NO3)3 solution was then added dropwise to the RuCl6 solution with continuous stirring for 15 min. The mixed solution was transferred into an autoclave and heated at 180 \u00b0C for 24 h. After cooling to room temperature, the solid product was collected by centrifugation, rinsed with distilled water and ethanol, and dried at 70 \u00b0C overnight.\n\nSupported catalyst synthesis: The as-prepared Ru/CeO2 precursors were calcined in air at 400, 500, and 600 \u00b0C for 2 h. The resulting samples are denoted as Ru/CeO2-400, Ru/CeO2-500, and Ru/CeO2-600, respectively.\n\nGas phase CO oxidation activity test: The catalysts were reduced in 5% H2/Ar at 400 \u00b0C for 1 h. The reduction degree was checked by XRD. The reduced catalysts were then used to evaluate their catalytic activities for gas phase CO oxidation. Prior to the CO oxidation reaction, the catalysts were preoxidized in air at 300 \u00b0C for 30 min to remove any possible Ru surface species generated from the reduction. The catalysts were then exposed to a flow of 10 vol% CO/He/Ar at 300, 350, 400, 450, and 500 \u00b0C for 30 min. The CO conversion was measured using a mass spectrometer (TCD detector).\n\nIn situ DRIFTS analysis of CO oxidation: The in situ DRIFTS experiments on the reduced catalysts were carried out in a flow of 10 vol% CO/He/Ar at 300, 350, 400, 450, and 500 \u00b0C for 30 min. The spectra were recorded with a resolution of 4 cm-1 and 256 scans. The samples were purged with pure He for 30 min before each new temperature to ensure complete removal of physically adsorbed CO.\n\nXAFS measurements: The XANES and EXAFS measurements were conducted at the Beijing Synchrotron Radiation Facility (BSRF) in China. The data processing and analysis were performed using ATHENA and Artemis programs. The k2 weighted \u03c7(R) functions were obtained after Fourier transform of the experimental EXAFS oscillations.",
+ "ground_truth": "Precursor synthesis: Ru NPs were prepared by thermal decomposition of Ru3(CO)12 via colloidal synthesis using standard Schlenk techniques using a literature procedure with slight modifications [23]. For the synthesis of Ru NPs, 8 mL of OLAM were added to 40 mg of Ru3(CO)12 in a three-neck flask. The reaction solution was degassed (< 2 Torr) for 30 min at room temperature. The flask was then flushed with nitrogen, heated to 270 \u00b0C at a rate of ~20 \u00b0C/min and kept at this temperature for 30 min. The particles were washed with ~30 mL ethanol twice and recovered by centrifugation (8000 rpm, 3 min), and finally dispersed in hexanes. After the first washing, the NPs were first dispersed in 5 mL hexanes with the addition of 1-2 drops OLAM before adding ethanol. The concentration of Ru in the obtained solutions was determined by thermogravimetric analysis.\n\nSAC synthesis: Catalysts were synthesized using the NPs described above along with CeO2 that had previously been calcined at 400, 500, and 600 \u00b0C. In a typical synthesis, 1 g of CeO2 powder was dispersed in 10 mL hexanes using vigorous stirring. A solution of Ru NPs was then added to give the desired nominal weight loading. The mixture was then stirred for 5 min before the solvent was removed using a rotary evaporator. The collected powder was dried at room temperature overnight before being ground and sieved through a 180-mesh sieve. The organic ligands remaining on the NPs were removed using a rapid thermal treatment [24], where the powders were inserted into a furnace preheated to 700 \u00b0C for 30 s in air."
+ }
+ ],
+ "Enhanced-performance-of-atomically-dispersed-dual-site-Fe-Mn-electrocatalysts-through-cascade-reaction-mechanism": [
+ {
+ "id": 458,
+ "sac_id": "Atom: Mn\nSupport Material: N-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Mn\nSupport Material: N-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: ZIF-8 was prepared according to the reported method. [1] In a typical synthesis, 2-methylimidazole (1.97 g) was dissolved in a mixed solution of 20 mL methanol and 10 mL ethanol. Manganese acetylacetonate (0.05 g) was dissolved in another mixed solution of 10 mL methanol and 10 mL ethanol. The above two solutions were then mixed under continuous stirring for 3 min. The resulting solution was kept static for 20 h. The obtained product was centrifuged, washed with ethanol several times, and dried at 60 \u00b0C under vacuum for 12 h.\n\nSynthesis of Mn/N-C: A typical procedure was as follows: ZIF-8 (200 mg) was added into 40 mL of methanol solution of Mn(OAc)2\u00b74H2O (10 mM). After ultrasonication for 30 min, the mixture was stirred at room temperature overnight. Then it was centrifuged and washed with methanol several times and finally dried under vacuum at 60 \u00b0C overnight. The powder was placed at the center of a tube furnace, heated from room temperature to 900 \u00b0C at a heating rate of 5 \u00b0C min -1 under flowing argon gas, and held at 900 \u00b0C for 3 h. The sample was naturally cooled to room temperature and obtained the final product named Mn/N-C.",
+ "ground_truth": "Precursor synthesis: 2.70 g of Zn(Ac)2 \u00b7 2H2O was added into 125 mL methanol at 60 \u00b0C to make a solution. 65 mL methanol containing 1.09 g KOH was introduced into this solution with dropwise. After 2 h of reaction under magnetic stirring, the residual solution was transferred to a Teflon vessel at 120 \u00b0C for 24 h. The ZnO nanorods were obtained by centrifuging, washing, and drying.\nSAC synthesis: For the preparation of ZnO@PDA-FeMn precursor, 0.2 g of ZnO nanorods prepared above was dispersed in 100 mL tris-buffer solution (pH = 8.5) by ultrasonic for 30 min. 0.1 g dopamine hydrochloride was added into the solution by magnetic stirring. 100 \u03bcL of 0.15 M FeCl3 and 200 \u03bcL of 0.15 M MnCl2 (Fe 3+ /Mn 2+ ratio is 1:2) were slowly added into the solution. After reacting for 12 h, the product was washed by centrifugation and dispersed again into the tris-solution with 0.1 g of dopamine hydrochloride for a secondary coating. Finally, the ZnO@PDA-FeMn precursors were achieved. To obtain the Mn-Nx-C, the ZnO@PDA-FeMn precursor was heated to 350 \u00b0C for 2 h at a heating rate of 1 \u00b0C min^-1, then the temperature was increased to 900 \u00b0C at a heating rate of 5 \u00b0C min^-1, and maintained in an inert N2 atmosphere for 2 h. After that, the obtained product was etched with 1.0 M HCl to remove the residual ZnO template."
+ },
+ {
+ "id": 459,
+ "sac_id": "Atom: Fe\nSupport Material: N-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: N-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: ZIF-8 was prepared according to the reported method. [1] Typically, 2 mmol of Zn(NO3)2\u00b76H2O and 40 mmol of 2-methylimidazole were dissolved in 50 mL of methanol, respectively. Then, the above two solutions were mixed stirring in methanol for 1 h at room temperature. After one hour, the precipitate was obtained by centrifugation and washed with methanol three times. Finally, the product was dried under vacuum at 70 \u00b0C overnight.\n\nSynthesis of S-ZIF-8: The preparation process is similar to that of ZIF-8, except that a certain amount of elemental sulfur powder was added to the mixture solution when it was stirred at room temperature.",
+ "ground_truth": "Precursor synthesis: 2.70 g of Zn(Ac)2 \u00b7 2H2O was added into 125 mL methanol at 60 \u00b0C to make a solution. 65 mL methanol containing 1.09 g KOH was introduced into this solution with dropwise. After 2 h of reaction under magnetic stirring, the residual solution was transferred to a Teflon vessel at 120 \u00b0C for 24 h. The ZnO nanorods were obtained by centrifuging, washing, and drying.\nSAC synthesis: For the preparation of ZnO@PDA-FeMn precursor, 0.2 g of ZnO nanorods prepared above was dispersed in 100 mL tris-buffer solution (pH = 8.5) by ultrasonic for 30 min. 0.1 g dopamine hydrochloride was added into the solution by magnetic stirring. 100 \u03bcL of 0.15 M FeCl3 and 200 \u03bcL of 0.15 M MnCl2 (Fe 3+ /Mn 2+ ratio is 1:2) were slowly added into the solution. After reacting for 12 h, the product was washed by centrifugation and dispersed again into the tris-solution with 0.1 g of dopamine hydrochloride for a secondary coating. Finally, the ZnO@PDA-FeMn precursors were achieved. To obtain the Fe-Nx-C, the ZnO@PDA-FeMn precursor was heated to 350 \u00b0C for 2 h at a heating rate of 1 \u00b0C min^-1, then the temperature was increased to 900 \u00b0C at a heating rate of 5 \u00b0C min^-1, and maintained in an inert N2 atmosphere for 2 h. After that, the obtained product was etched with 1.0 M HCl to remove the residual ZnO template."
+ },
+ {
+ "id": 460,
+ "sac_id": "Atom: Fe/Mn\nSupport Material: N-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe/Mn\nSupport Material: N-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: Zn(NO3)2\u00b76H2O (5.0 mmol, 1789 mg) and Mn(acac)3 (0.4 mmol, 127 mg) were dissolved in 50 mL methanol to form a clear solution, which was subsequently added into 50 mL of methanol containing 2-methylimidazole (14.8 mmol, 1354 mg). After stirring at room temperature for 24 h, the resulting precipitate was collected by centrifugation, washed thrice with methanol, and dried at 60 \u00b0C overnight. The as-obtained Mn-ZIF was placed in a tube furnace and heated to 900 \u00b0C for 3 h at a heating rate of 5 \u00b0C min-1 under flowing Ar gas to yield Mn-NC.\nSynthesis of Fe/Mn double-doped N-C materials: The synthesis procedure is similar to that of Mn-NC, except that Fe(NO3)3\u00b79H2O (0.1 mmol, 32 mg) was used instead of Mn(acac)3.",
+ "ground_truth": "Precursor synthesis: 2.70 g of Zn(Ac)2 \u00b7 2H2O was added into 125 mL methanol at 60 \u00b0C to make a solution. 65 mL methanol containing 1.09 g KOH was introduced into this solution with dropwise. After 2 h of reaction under magnetic stirring, the residual solution was transferred to a Teflon vessel at 120 \u00b0C for 24 h. The ZnO nanorods were obtained by centrifuging, washing, and drying.\nSAC synthesis: For the preparation of ZnO@PDA-FeMn precursor, 0.2 g of ZnO nanorods prepared above was dispersed in 100 mL tris-buffer solution (pH = 8.5) by ultrasonic for 30 min. 0.1 g dopamine hydrochloride was added into the solution by magnetic stirring. 100 \u03bcL of 0.15 M FeCl3 and 200 \u03bcL of 0.15 M MnCl2 (Fe 3+ /Mn 2+ ratio is 1:2) were slowly added into the solution. After reacting for 12 h, the product was washed by centrifugation and dispersed again into the tris-solution with 0.1 g of dopamine hydrochloride for a secondary coating. Finally, the ZnO@PDA-FeMn precursors were achieved. To obtain the Fe/Mn-Nx-C, the ZnO@PDA-FeMn precursor was heated to 350 \u00b0C for 2 h at a heating rate of 1 \u00b0C min^-1, then the temperature was increased to 900 \u00b0C at a heating rate of 5 \u00b0C min^-1, and maintained in an inert N2 atmosphere for 2 h. After that, the obtained product was etched with 1.0 M HCl to remove the residual ZnO template."
+ }
+ ],
+ "Atomically-dispersed-Pt-on-specific-TiO2-facets-for-photocatalytic-H2-evolution": [
+ {
+ "id": 461,
+ "sac_id": "Atom: Pt\nSupport Material: TiO2 with coexposed (0 0 1) and (1 0 1) facets (TiO2-A)\nSynthesis Method: Photochemical\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: TiO2 with coexposed (0 0 1) and (1 0 1) facets (TiO2-A)\n\n",
+ "predicted": "Precursor synthesis: The anatase TiO2 powder was purchased from Sigma with an average crystallite size of 8 nm. Prior to the reaction, it was calcined at 450 \u00b0C for 6 h in flowing air to remove surface impurities.\n\nALD of Pt on TiO2-A: A Benchtop 200 ALD reactor from ALD Systems Inc., USA was used for Pt deposition. Ultrahigh purity N2 (99.999%) was used as the carrier gas. Pt(acac)2 was used as the Pt precursor. The chamber temperature was set to 230 \u00b0C. Pt(acac)2 was dosed for 10 s and the residuals were removed by N2 flush for 30 s. This was followed by a 60 s BOT step. The number of cycles varied between 1 to 75 depending on the thickness required.",
+ "ground_truth": "SAC synthesis: For comparison, 0.6Pt/TiO2-0 (the actual loading amount of Pt is shown in Fig. S3) was also prepared using commercial anatase NPs (named TiO2-0, Fig. S4) with a similar surface area (Fig. S5) under the same conditions as the synthesis of Pt1/TiO2-A."
+ },
+ {
+ "id": 462,
+ "sac_id": "Atom: Pt\nSupport Material: Commercial anatase NPs (TiO2-0)\nSynthesis Method: Photochemical\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Commercial anatase NPs (TiO2-0)\n\n",
+ "predicted": "Precursor synthesis: Ti(OBu4)4 (97%, Sigma Aldrich) and H2PtCl6\u00b76H2O (99.99%, Sigma Aldrich) were used as the titanium and platinum precursors, respectively.\nSPP synthesis: The SPPs were prepared by a previously reported solvothermal method. [1] In brief, 5 mL of ethanol was added to 30 mg of TiO2-0 support powder in order to form a suspension. After sonication for 1 h, 0.8 mL of Ti(OBu4)4 was added dropwise into the above solution under vigorous stirring for 1 h. Then, the mixture was transferred into a Teflon-lined autoclave with a capacity of 20 mL and heated at 180 \u00b0C for 12 h. After cooling down to room temperature, the white precipitate was collected by centrifugation, rinsed with ethanol three times, and dried at 60 \u00b0C overnight.\nSPD synthesis: The SPDs were prepared by a previously reported impregnation method. [2] Typically, 100 mg of TiO2-0 support powder was dispersed in 10 mL of ethanol by ultrasonication for 1 h. Then, 0.5 mL of H2PtCl6\u00b76H2O solution (with different Pt concentrations) was added dropwise to the above solution under vigorous stirring for 1 h. Subsequently, the mixture was sonicated for another 1 h before being dried at 60 \u00b0C overnight. Finally, the obtained powders were calcined at 350 \u00b0C for 2 h with a heating rate of 2 \u00b0C min -1.",
+ "ground_truth": "SAC synthesis: For comparison, 0.6Pt/TiO2-0 (the actual loading amount of Pt is shown in Fig. S3) was also prepared using commercial anatase NPs (named TiO2-0, Fig. S4) with a similar surface area (Fig. S5) under the same conditions as the synthesis of Pt1/TiO2-A."
+ }
+ ],
+ "Selective-electrochemical-reduction-of-nitrogen-oxides-by-covalent-triazine-frameworks-modified-with-single-Pt-atoms": [
+ {
+ "id": 463,
+ "sac_id": "Atom: Pt\nSupport Material: Covalent triazine framework hybridized with conductive carbon nanoparticles (CTF/CP)\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Covalent triazine framework hybridized with conductive carbon nanoparticles (CTF/CP)\n\n",
+ "predicted": "Precursor synthesis: Triazine-based resins were prepared by polymerizing triethyl orthoformate (TEOF, 16.0 mL) and tris(hydroxymethyl)aminomethane (THAM, 2.3 mL) at 85 \u00b0C for 4 h in a sealed glass tube under N2 protection. The resultant resin was washed with deionized water to remove unreacted TEOF. The as-prepared resin (150 mg) was dispersed in 75 mL methanol containing 290 mg of 1,10-phenanthroline and 1.0 g of glucose, followed by reflux at 80 \u00b0C for 4 h. After cooling down to room temperature, the solid product was collected by filtration and washed with deionized water. The obtained CTF precursor (30 mg) was mixed with 100 mg of APTS in anhydrous DMF (10 mL), and the mixture was stirred overnight at room temperature. The product was then washed with DMF and deionized water several times and dried at 60 \u00b0C overnight.\n\nSynthesis of CTF/CP: The CTF/CP was prepared by pyrolyzing the CTF/CP-precursor in Ar atmosphere at 900 \u00b0C for 2 h.",
+ "ground_truth": "Precursor synthesis: A hybrid material consisting of Pt-CTF and conductive carbon nanoparticles (Pt-CTF/CP) was prepared in the same manner as described in our previous report [14]. Briefly, 1.36 g ZnCl2 (Wako), 129 mg 2,6-dicyanopyridine (Sigma-Aldrich) and 129 mg carbon particles (Ketjen Black EC600JD, Lion Corp.) were mixed and then heat treated in a vacuum-sealed glass tube at 400 \u00b0C for 21 h. The resulting powder was washed sequentially with 0.1 M HCl, water, tetrahydrofolate and acetonitrile, and then modified with Pt atoms by stirring in 160 mM K2[PtCl4] (Wako) at 60 \u00b0C for 4 h. The Pt concentration was estimated to be 12 wt% by X-ray photoelectron spectroscopy (XPS).\nSAC synthesis: The same procedure as described for the precursor synthesis was used to prepare the Pt-CTF/CP single atom catalyst."
+ },
+ {
+ "id": 464,
+ "sac_id": "Atom: Pt\nSupport Material: Covalent triazine framework hybridized with conductive carbon nanoparticles (CTF/CP)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Covalent triazine framework hybridized with conductive carbon nanoparticles (CTF/CP)\n\n",
+ "predicted": "Precursor synthesis: Triazine-based resins were prepared by polymerizing triethyl orthoformate (TEOF, 16.0 mL) and tris(hydroxymethyl)aminomethane (THAM, 2.3 mL) at 85 \u00b0C for 4 h in a sealed glass tube under N2 protection. The resultant resin was washed with deionized water to remove unreacted TEOF. The as-prepared resin (150 mg) was dispersed in 75 mL methanol containing 290 mg of 1,10-phenanthroline and 1.0 g of glucose, followed by reflux at 80 \u00b0C for 4 h. After cooling down to room temperature, the solid product was collected by filtration and washed with deionized water. The obtained CTF precursor (30 mg) was mixed with 100 mg of APTS in anhydrous DMF (10 mL), and the mixture was stirred overnight at room temperature. The product was then washed with DMF and deionized water several times and dried at 60 \u00b0C overnight.\n\nSynthesis of CTF/CP: The CTF/CP was prepared by pyrolyzing the CTF/CP-precursor in Ar atmosphere at 900 \u00b0C for 2 h.",
+ "ground_truth": "Precursor synthesis: A hybrid material consisting of Pt-CTF and conductive carbon nanoparticles (Pt-CTF/CP) was prepared in the same manner as described in our previous report [14]. Briefly, 1.36 g ZnCl2 (Wako), 129 mg 2,6-dicyanopyridine (Sigma-Aldrich) and 129 mg carbon particles (Ketjen Black EC600JD, Lion Corp.) were mixed and then heat treated in a vacuum-sealed glass tube at 400 \u00b0C for 21 h. The resulting powder was washed sequentially with 0.1 M HCl, water, tetrahydrofolate and acetonitrile, and then modified with Pt atoms by stirring in 160 mM K2[PtCl4] (Wako) at 60 \u00b0C for 4 h. The Pt concentration was estimated to be 12 wt% by X-ray photoelectron spectroscopy (XPS).\nSAC synthesis: The same procedure as described for the precursor synthesis was used to prepare the Pt-CTF/CP single atom catalyst."
+ }
+ ],
+ "Enhanced-mass-transfer-in-three-dimensional-single-atom-nickel-catalyst-with-open-pore-structure-for-highly-efficient-CO2-electrolysis": [
+ {
+ "id": 465,
+ "sac_id": "Atom: Ni\nSupport Material: Graphene (G)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Graphene (G)\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanobenzene (0.25 g), potassium hydroxide (0.03 g), and nickel chloride hexahydrate (0.06 g) were added to a mixture of ethanol (10 mL) and deionized water (80 mL). The resulting mixture was stirred at room temperature for 1 h and then heated in a Schlenk tube under reflux at 140 \u00b0C for 24 h. After the reaction, the solid was isolated by suction filtration and washed with ethanol, ethyl acetate, and THF. The product was dried under vacuum to yield the corresponding metallo-\u03c0-complexes.\nSynthesis of 1,4-bis(pyridin-2-yl)-5,6,7-triazinan-2-one (Py2-TAT): Py2-TAT was prepared according to the reported literature with 1,4-dicyanobenzene, potassium hydroxide, and nickel chloride hexahydrate.\n\nMOF synthesis: A solution of ZnCl2\u00b72H2O (0.9 mmol) and Py2-NiTAT ligand (0.01 mmol) in methanol (20 mL) was mixed together and subjected to ultrasonication for 30 min. The obtained homogeneous solution was transferred into a Teflon-lined autoclave and heated at 120 \u00b0C for 24 h. The obtained crystals were collected by centrifugation, washed with methanol and H2O several times, and dried at ambient conditions.\n\nPyrolysis of MOFs: To investigate the thermal stability of MOFs, the prepared MOF samples were placed in a tube furnace and heated from room temperature to 800 \u00b0C with a rate of 5 \u00b0C/min under Ar flowing atmosphere for 3 h.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, 8.5 g sodium chloride, 0.6 g glucose, 1.2 g dicyandiamide and 6.0-36 mg (the content of nickel ranging from 1 wt% to 6 wt%) Nickel (II) acetate tetrahydrate were dissolved in deionized water to form a homogeneous solution. After stirring for 2 h, the solution was put into a freeze dryer to evaporate water in vacuum to obtain the 3D precursor. Subsequently, the 3D precursor powder underwent a pyrolysis and carbonization process at 800 /C176 C with a ramping rate of 4 /C176 C min /C0 1 , and maintained for 3 h in a tubular furnace under protect of flowing argon (Ar) atmosphere. After cooling down to room temperature, the 3D SANi-G was obtained by removing sodium chloride with deionized water."
+ },
+ {
+ "id": 466,
+ "sac_id": "Atom: Pt\nSupport Material: Graphene (G)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Graphene (G)\n\n",
+ "predicted": "Precursor synthesis: The aqueous PtCl4 solution was prepared by dissolving 1.0 mmol of chloroplatinic acid in 25 mL of DI water.\n\nSynthesis: The aqueous PtCl4 solution (100 \u03bcL) was added dropwise to the graphene suspension (300 mg in 25 mL of DI water) under vigorous stirring, followed by ultrasonication for 1 h. The resulting mixture was then heated at 60 \u00b0C for evaporation and finally annealed at 800 \u00b0C for 2 h in Ar flow. After cooling down to room temperature naturally, the sample was collected for further characterization.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, 8.5 g sodium chloride, 0.6 g glucose, 1.2 g dicyandiamide and 6.0-36 mg (the content of platinum ranging from 1 wt% to 6 wt%) Ammonium hex chloroplatinate(IV) were dissolved in deionized water to form a homogeneous solution. After stirring for 2 h, the solution was put into a freeze dryer to evaporate water in vacuum to obtain the 3D precursor. Subsequently, the 3D precursor powder underwent a pyrolysis and carbonization process at 800 /C176 C with a ramping rate of 4 /C176 C min /C0 1 , and maintained for 3 h in a tubular furnace under protect of flowing argon (Ar) atmosphere. After cooling down to room temperature, the 3D SAPt-G was obtained by removing sodium chloride with deionized water."
+ },
+ {
+ "id": 467,
+ "sac_id": "Atom: Co\nSupport Material: Graphene (G)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Graphene (G)\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanobenzene (0.25 g, 2 mmol), FeCl3\u00b76H2O (0.78 g, 4 mmol), and anhydrous ZnCl2 (2.92 g, 20 mmol) were added into a 50 mL three-necked flask with a mechanical stirring. After stirring for 1 h at room temperature, the yield of FeDCBC was obtained by filtration and subsequent washing with dichloromethane for three times.\n\nSynthesis of metalloporphyrins@graphene (MPs/G): Typically, porphyrin Fe(II) nitrate solution (0.05 mg mL^-1, 20 mL), graphene dispersion solution (25 mg mL^-1, 20 mL), and ethanol (20 mL) were added into a 100 mL three-necked flask with a mechanical stirring. After stirring for 24 h at room temperature, the products were collected by centrifugation and subsequently washed with ethanol for three times. Finally, the MPs/G samples were obtained by freeze-drying. The amount of metalloporphyrins in the final product can be adjusted by changing the dosage of porphyrin Fe(II) nitrate solution.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, 8.5 g sodium chloride, 0.6 g glucose, 1.2 g dicyandiamide and 6.0-36 mg (the content of cobalt ranging from 1 wt% to 6 wt%) Cobalt(II) acetate were dissolved in deionized water to form a homogeneous solution. After stirring for 2 h, the solution was put into a freeze dryer to evaporate water in vacuum to obtain the 3D precursor. Subsequently, the 3D precursor powder underwent a pyrolysis and carbonization process at 800 /C176 C with a ramping rate of 4 /C176 C min /C0 1 , and maintained for 3 h in a tubular furnace under protect of flowing argon (Ar) atmosphere. After cooling down to room temperature, the 3D SACo-G was obtained by removing sodium chloride with deionized water."
+ },
+ {
+ "id": 468,
+ "sac_id": "Atom: Cu\nSupport Material: Graphene (G)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: Graphene (G)\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanobenzene (0.25 g, 2 mmol), FeCl3\u00b76H2O (0.78 g, 4 mmol), and CuCl2\u00b72H2O (0.90 g, 4 mmol) were added into a 25 mL round-bottom flask with a stir bar. Triethylamine (0.30 mL, 2.14 mmol) was added dropwise to the above solution under nitrogen atmosphere. After stirring for 1 h at room temperature, the product was isolated by filtration and washed with dichloromethane, ethanol, and water successively. The final product was obtained after drying under vacuum at 70 \u00b0C for 12 h.\n\nSynthesis of NCNB-Fe/G: A mixture of 1,4-dicyanobenzene (0.25 g, 2 mmol), FeCl3\u00b76H2O (0.78 g, 4 mmol), and CuCl2\u00b72H2O (0.90 g, 4 mmol) in a 25 mL round-bottom flask was dispersed in 10 mL of DMF with stirring under nitrogen atmosphere. Then, graphene (10 mg) was added to the above solution. After stirring for 1 h at room temperature, ammonia acetyl salts (0.25 g, 2 mmol) was added into the mixture, which was then heated at 100 \u00b0C for 12 h. Finally, the product was isolated by centrifugation and washed with ethanol three times.\n\nCNB-Fe/G-800: CNB-Fe/G (800 mg) was placed in a porcelain boat and annealed at 800 \u00b0C for 2 h with a heating rate of 5 \u00b0C min -1 under Ar atmosphere. The obtained sample was denoted as CNB-Fe/G-800.\n\nCNB-Fe/G-900: CNB-Fe/G (800 mg) was placed in a porcelain boat and annealed at 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C min -1 under Ar atmosphere. The obtained sample was denoted as CNB-Fe/G-900.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, 8.5 g sodium chloride, 0.6 g glucose, 1.2 g dicyandiamide and 6.0-36 mg (the content of copper ranging from 1 wt% to 6 wt%) Cupric(II) Acetate Monohydrate were dissolved in deionized water to form a homogeneous solution. After stirring for 2 h, the solution was put into a freeze dryer to evaporate water in vacuum to obtain the 3D precursor. Subsequently, the 3D precursor powder underwent a pyrolysis and carbonization process at 800 /C176 C with a ramping rate of 4 /C176 C min /C0 1 , and maintained for 3 h in a tubular furnace under protect of flowing argon (Ar) atmosphere. After cooling down to room temperature, the 3D SACu-G was obtained by removing sodium chloride with deionized water."
+ },
+ {
+ "id": 469,
+ "sac_id": "Atom: Fe\nSupport Material: Graphene (G)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Graphene (G)\n\n",
+ "predicted": "Precursor synthesis: Iron pentacarbonyl (Fe(CO)5) was used as the metal precursor for iron.\n\nMB synthesis: In a typical experiment, 10 mg graphene and desired amount of Fe(CO)5 were added in 20 mL n-hexane with continuous stirring at room temperature for 24 h. After that, the obtained sample was washed by centrifugation using n-hexane three times to remove excess Fe(CO)5. Subsequently, the obtained sample was dried under vacuum condition overnight. The final product was labeled as Fe/G. The loading amounts of different Fe/G samples were determined by ICP-AES as 3.78, 6.98, 10.01, and 13.02 wt% for 1.5, 3, 6, and 9 mg Fe(CO)5, respectively.",
+ "ground_truth": "Precursor synthesis: In a typical synthesis, 8.5 g sodium chloride, 0.6 g glucose, 1.2 g dicyandiamide and 6.0-36 mg (the content of iron ranging from 1 wt% to 6 wt%) Ammonium iron(III) citrate were dissolved in deionized water to form a homogeneous solution. After stirring for 2 h, the solution was put into a freeze dryer to evaporate water in vacuum to obtain the 3D precursor. Subsequently, the 3D precursor powder underwent a pyrolysis and carbonization process at 800 /C176 C with a ramping rate of 4 /C176 C min /C0 1 , and maintained for 3 h in a tubular furnace under protect of flowing argon (Ar) atmosphere. After cooling down to room temperature, the 3D SAFe-G was obtained by removing sodium chloride with deionized water."
+ }
+ ],
+ "Atomically-dispersed-Ni-species-on-N-doped-carbon-nanotubes-for-electroreduction-of-CO2-with-nearly-100%-CO-selectivity": [
+ {
+ "id": 470,
+ "sac_id": "Atom: Ni\nSupport Material: N-doped carbon nanotubes (NCTs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: N-doped carbon nanotubes (NCTs)\n\n",
+ "predicted": "Precursor synthesis: ZIF-8 was prepared according to the reported method. [1] In a typical synthesis, 2-methylimidazole (13 mmol, 954 mg) was dissolved in 25 mL methanol and 10 mL of ethanol (solution A). Zn(NO3)2\u00b76H2O (1 mmol, 372 mg) was dissolved in 30 mL of methanol and 10 mL of ethanol (solution B), and then added dropwise into solution A under vigorous stirring for 1 h at room temperature. The mixed solution was kept stirring for another 24 h at room temperature. The obtained product was collected by centrifugation and washed three times with methanol, then dried at 60 \u00b0C under vacuum overnight.\n\nSynthesis of NCTs: Typically, 100 mg of ZIF-8 was placed in an alumina crucible and heated from room temperature to 1000 \u00b0C at a rate of 5 \u00b0C min -1 for 3 h under Ar flowing condition. After cooling down to room temperature, the powder was etched using 2 M HCl solution for 24 h to remove metallic residue. Then the powder was washed thoroughly with deionized water until the pH of the solution reached around 7. The powder was dried at 60 \u00b0C overnight and labeled as NCTs.",
+ "ground_truth": "Precursor synthesis: 0.165 g of 2-methylimidazole was dissolved in a mixture of 12 mL DMF and 4 mL deionized water. The solution was transferred into a 30 mL quartz bottle. Certain amounts of ZnO (0.021 g) and Ni(NO3)2\u00b76H2O (0.024 g for ZnO@ZIF-NiZn50 and 0.012 g for ZnO@ZIF-NiZn100) were added to the solution, followed by sonication for 30 min. The bottle was placed in an oven for 24 h at 70 \u00b0C. The obtained powder was washed with ethanol 5 times, followed by drying in a vacuum oven for 12 h at 70 \u00b0C.\nSAC synthesis: The as-prepared core-shell ZnO@ZIF-NiZn50 was placed in an alumina crucible and transferred to a vacuum tube furnace. Before carbonization, the air in the furnace was expelled by blowing nitrogen for 1 h. The furnace was heated to 200 \u00b0C at a rate of 5 \u00b0C min-1 and maintained for 2 h. The temperature was increased to 800 \u00b0C, maintained for 5 h. The samples were etched with dilute HCl to remove the residual ZnO and Ni nanoparticles, followed by washing with distilled water and drying to afford Ni/NCNTs-50. Ni/NCNTs-100 was prepared using ZnO@ZIF-NiZn100 as the same procedure."
+ }
+ ],
+ "Enhanced-solar-driven-benzaldehyde-oxidation-with-simultaneous-hydrogen-production-on-Pt-single-atom-catalyst": [
+ {
+ "id": 471,
+ "sac_id": "Atom: Pt\nSupport Material: g-C3N4 (polymeric carbon nitride)\nSynthesis Method: Photochemical\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: g-C3N4 (polymeric carbon nitride)\n\n",
+ "predicted": "Precursor synthesis: g-C3N4 was prepared by heating melamine powder at 550 \u00b0C for 4 h under air flow with a ramp rate of 2.6 \u00b0C min^-1.\n\nSynthesis: In a typical procedure, 1 g melamine was mixed with 0.5 g K2PtCl6 in a mortar and ground for 10 min until the mixture turned black. The mixture was then calcined at 550 \u00b0C for 4 h under air flow with a ramp rate of 2.6 \u00b0C min^-1. The obtained sample was denoted as Pt/g-C3N4. For comparison, the sample without metal was referred to as pristine g-C3N4.",
+ "ground_truth": "Precursor synthesis: The preparation of g-C3N4 followed the published method in ref. [36]. Specifically, 10 g urea was dispersed in the crucible and calcinated with cover under 550 \u00b0C in air for 4 h with the ramp rate as 2.3 \u00b0C/min. After cooling down to room temperature, the resultant light-yellow powder is the precursor material.\nSAC synthesis: A photo-deposition method was used to synthesize Pt catalysts on the home-made g-C3N4. In the photo-deposition session, 100 mg g-C3N4 was dispersed into the liquid mixture of 25 mL of water and 10 mL of methanol. Then proper amount of 8 wt.% hydrogen hexachloroplatinate (IV) solution (H2PtCl6, 13 \u03bcL, 26 \u03bcL, 52 \u03bcL, and 130 \u03bcL separately) were added in, corresponding to 0.5 wt%, 1 wt%, 2 wt%, and 5 wt% Pt loading amounts. The resultant slurry was irradiated by a 300 W Xe lamp under rigorous stirring without light filter for 2 h. Then the water was evaporated on the heat plate at 100 \u00b0C before further dehydration in a 60 \u00b0C oven overnight. The catalysts with different Pt-loading were obtained and proposed to be single atoms (0.5 wt%, SA-Pt), nano clusters (1 wt%, CL-Pt), nano particles (2 wt%, NP1-Pt; 5 wt%, NP2-Pt)."
+ }
+ ],
+ "Nitrogen-coordinated-single-iron-atom-catalysts-derived-from-metal-organic-frameworks-for-oxygen-reduction-reaction": [
+ {
+ "id": 472,
+ "sac_id": "Atom: Fe\nSupport Material: Carbon (derived from ZIF-8)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Carbon (derived from ZIF-8)\n\n",
+ "predicted": "Precursor synthesis: A mixture of Zn(NO3)2\u00b76H2O (0.54 g) and Fe(acac)3 (0.1 g) was added to 20 mL of methanol. This solution was subsequently poured into a beaker containing 20 mL of methanol with 0.72 g of 2-methylimidazole under constant stirring for 6 h. The product was then collected by centrifugation and washed with methanol three times.\nS synthesis: The obtained ZIF-8@Fe precursor was dried in a vacuum oven at 90 \u00b0C for 6 h and then heated to 900 \u00b0C (with a ramp rate of 5 \u00b0C min -1 ) for 2 h in an N2 flow. After being naturally cooled down to room temperature, the black powder was collected and denoted as Fe/C.",
+ "ground_truth": "Precursor synthesis: The Fe-ZIF-8 precursors were synthesized by following the method in a previous report [20] to choose Fe 2+ as the metal sources, except for removing surfactant and changing solvents to simplify the process. In a typical process for preparing Fe-ZIF-8 with a 0.95/0.05 molar ratio of Zn/Fe, 8 g 2-methylimidazole (98%, Aladdin, China) was dissolved in 100 ml methanol (99.9%, Merck, USA) in a flask. Then, 282.6 mg Zn (NO)3\u00b76H2O (99.998% metals basis, Aladdin, China) and 14 mg FeSO4\u00b76H2O (99.95% metals basis, Aladdin, China) were dissolved in 100 ml methanol in another flask. The two solutions were mixed uniformly after bubbling in Ar for 1 h. Then, the mixture was stirred under the protection of Ar for 10 h. The suspension was collected by centrifugation and then washed with absolute ethanol several times. The product was dried at 80 \u00b0C in a vacuum oven.\n\nSAC synthesis: The FeN-C catalysts were prepared through a programmed pyrolysis in different atmospheres (Ar, N2, 7%H2/Ar, and Ar + NH3). The heating rate was 5 \u00b0C per min and stayed at 1000 \u00b0C for 1 h (Ar, N2, and 7%H2/Ar). Secondary NH3 pyrolysis was applied with the same heating rate and kept at 900 \u00b0C for 15 min. Then, it was cooled naturally under the protection of the same atmosphere."
+ }
+ ],
+ "Fluorination-assisted-preparation-of-self-supporting-single-atom-Fe-N-doped-single-wall-carbon-nanotube-film-as-bifunctional-oxygen-electrode-for-rechargeable-Zn-Air-batteries": [
+ {
+ "id": 473,
+ "sac_id": "Atom: Fe\nSupport Material: Single-wall carbon nanotube (SWCNT) film\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Single-wall carbon nanotube (SWCNT) film\n\n",
+ "predicted": "Precursor synthesis: Iron pentacarbonyl (Fe(CO)5) was used as the precursor.\nSupport Material Synthesis: Single-wall carbon nanotube (SWCNT) support materials were prepared by floating separation method.\nDLC Film Deposition: DLC films were deposited on SWCNT supports using a radio frequency (RF) plasma enhanced chemical vapor deposition (PECVD) system with an inductively coupled plasma (ICP) source. The chamber pressure was 0.2 Torr, and the RF power was set to 15 W. The precursor gases were acetylene (C2H2), argon (Ar), and hydrogen (H2). The flow rates of C2H2, H2, and Ar were 40, 8, and 64 sccm, respectively. The deposition time was 3 h.\nFe PECVD: DLC films were further modified by Fe PECVD in a PECVD system with an ICP source. The chamber pressure was 0.2 Torr, and the RF power was set to 15 W. The precursor gases were iron pentacarbonyl (Fe(CO)5), argon (Ar), and hydrogen (H2). The flow rates of Fe(CO)5, H2, and Ar were 2, 8, and 67 sccm, respectively. The deposition time was 3 h.",
+ "ground_truth": "Precursor synthesis: Free-standing SWCNT films were prepared by a floating catalyst chemical vapor deposition (FCCVD) method. Ferrocene and thiophene were dissolved in methylbenzene with a ratio of 2.5:0.7:91, and served as the catalyst precursor, growth promoter, and carbon source, respectively. The growth temperature was 1100 \u00b0C. During SWCNT growth, the liquid precursor was injected into the reactor at a rate of 0.74 mL/h. Simultaneously, 7000 standard cubic centimeter per minute (sccm) hydrogen and 8.25 sccm ethylene (the second carbon source) were introduced. SWCNT films were collected on a steel mesh installed on the downstream of the reactor.\nSAC synthesis: The prepared SWCNT films were stripped from the steel mesh and cut into the required shape and placed in a teflon container (diameter 4 cm) without a lid into which the required weight of XeF2 had been placed. The teflon container together with SWCNT film was placed in a bigger Teflon container (diameter 5 cm) and carefully sealed. The containers were then transferred to an oven and heated at 200 \u00b0C for 12 h to obtain the fluorinated SWCNT film (F-SWCNT). The F-SWCNT was cut into 3 cm \u00d7 3 cm pieces and placed in a quartz boat with a diameter of 3 cm which was put into a tube furnace and heated at 600 \u00b0C for 1 h. During this annealing process, 100 sccm of ammonia gas was introduced as the nitrogen source. After treatment, the furnace was naturally cooled to room temperature and the SAFe-SWCNT film was obtained."
+ }
+ ],
+ "On-the-mechanism-of-H2-activation-over-single-atom-catalyst:-An-understanding-of-Pt1-WOx-in-the-hydrogenolysis-reaction": [
+ {
+ "id": 474,
+ "sac_id": "Atom: Au\nSupport Material: WOx (2 < x < 3)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Au\nSupport Material: WOx (2 < x < 3)\n\n",
+ "predicted": "Precursor synthesis: The gold precursor used is HAuCl4.\nSM synthesis: The support material WOx (2 < x < 3) was prepared by calcining ammonium paratungstate in air at 500 \u00b0C for 2 h.\nMP synthesis: The catalysts were prepared by the incipient wetness impregnation method, where a certain amount of HAuCl4 was loaded onto the support material WOx (2 < x < 3). The resulting solid was dried at 100 \u00b0C for 12 h and then calcined at 800 \u00b0C for 6 h in flowing air.",
+ "ground_truth": "Precursor synthesis: WOx was prepared using a modified procedure according to previous reports [37]. In detail, 3 g WCl6 was dissolved into 100 mL ethanol while the mixture was stirred, and the solution was then transferred to a Teflon autoclave for heating in an oven at 433 K for 36 h. After cooling to room temperature, the dark blue precipitate was collected by filtration, washed with ethanol and water, and dried at 323 K for 6 h in a vacuum to obtain the WOx support.\nSAC synthesis: Au/WOx was prepared using a similar procedure to Pt/WOx. It was obtained by impregnation of WOx with a Au precursor solution, dried at 323 K for 6 h in a vacuum, and reduced in flowing H2 at 573 K for 1 h. The obtained Au/WOx catalyst was passivated using 1% O2/N2 for 4 h at room temperature before exposure to air."
+ },
+ {
+ "id": 475,
+ "sac_id": "Atom: Pt\nSupport Material: WOx (2 < x < 3)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: WOx (2 < x < 3)\n\n",
+ "predicted": "Precursor synthesis: The Pt/WOx precursors were prepared by a modified wet impregnation method. In a typical procedure, the appropriate amount of H2PtCl6\u00b76H2O (Sinopharm Chemical Reagent Co., Ltd., >49% purity) was dissolved in deionized water (18.2 M\u03a9 cm-1, Millipore). Then, the solution was added dropwise to the support (SBA-15, AkzoNobel; average pore size 7 nm; specific surface area 530 m2 g-1; specific pore volume 0.91 cm3 g-1; densified by calcination at 600 \u00b0C for 6 h in air) that had been pretreated with 1 M HNO3 (Sigma-Aldrich, 5800000000000000000 \u03a9 cm-1) for 24 h at room temperature. After adding the solution, the mixture was stirred for an additional 2 h and then transferred into an oven at 60 \u00b0C for evaporative drying. Finally, the dried sample was dried overnight in an oven at 60 \u00b0C and subsequently calcined in air at 350 \u00b0C for 6 h to obtain the Pt/WOx precursors.\n\nSynthesis of Pt/SBA-15 catalysts: The Pt/SBA-15 catalysts were prepared via a two-step process. First, the obtained Pt/WOx precursors were treated with triblock copolymer pluronic F127 (Mw = 12 600; Sigma-Aldrich) as a template in cyclohexane under reflux conditions. In detail, the Pt/WOx precursors (0.01 g L-1 cyclohexane) and pluronic F127 (0.2 g L-1 cyclohexane) were added to a round-bottom flask and then heated to reflux in an oil bath at 60 \u00b0C for 24 h. Second, the Pt/WOx@F127 complexes were confined within the hydrophobic cavities of the micellar structures of pluronic F127 were extracted using n-hexane (Sigma-Aldrich, 5800000000000000000 \u03a9 cm-1), and the Pt/WOx precursors were recovered inside the micelle shells. Subsequently, the Pt/WOx precursors@micelle were washed three times with n-hexane and ethanol (Analytical Reagent, Grade 2; Sigma-Aldrich; 5800000000000000000 \u03a9 cm-1) and dried overnight in an oven at 60 \u00b0C. Finally, the Pt/SBA-15 catalysts were obtained after calcining the precursors in air at 350 \u00b0C for 6 h.",
+ "ground_truth": "Precursor synthesis: WOx was prepared using a modified procedure according to previous reports [37]. In detail, 3 g WCl6 was dissolved into 100 mL ethanol while the mixture was stirred, and the solution was then transferred to a Teflon autoclave for heating in an oven at 433 K for 36 h. After cooling to room temperature, the dark blue precipitate was collected by filtration, washed with ethanol and water, and dried at 323 K for 6 h in a vacuum to obtain the WOx support.\nSAC synthesis: Pt/WOx was obtained by impregnation of WOx with H2PtCl6 solution. After it was dried at 323 K for 6 h in a vacuum and reduced in flowing H2 at 573 K for 1 h, the obtained Pt/WOx catalyst was passivated using 1% O2/N2 for 4 h at room temperature before exposure to air."
+ },
+ {
+ "id": 476,
+ "sac_id": "Atom: Pd\nSupport Material: WOx (2 < x < 3)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: WOx (2 < x < 3)\n\n",
+ "predicted": "Precursor synthesis: A 10% H2PdCl4 aqueous solution was prepared by dissolving H2PdCl4 into DI water.\n\nSynthesis: The synthesized Pd/WOx samples were annealed in air with a ramping rate of 5 \u00b0C min^-1 to 600 \u00b0C and kept for 2 h. Samples annealed at 400, 500, and 600 \u00b0C were denoted as Pd/WOx (2 < x < 3), Pd/WOx (2 < x < 3 -400), and Pd/WOx (2 < x < 3 -HT), respectively.",
+ "ground_truth": "Precursor synthesis: WOx was prepared using a modified procedure according to previous reports [37]. In detail, 3 g WCl6 was dissolved into 100 mL ethanol while the mixture was stirred, and the solution was then transferred to a Teflon autoclave for heating in an oven at 433 K for 36 h. After cooling to room temperature, the dark blue precipitate was collected by filtration, washed with ethanol and water, and dried at 323 K for 6 h in a vacuum to obtain the WOx support.\nSAC synthesis: Pd/WOx was prepared using a similar procedure to Pt/WOx. It was obtained by impregnation of WOx with a Pd precursor solution, dried at 323 K for 6 h in a vacuum, and reduced in flowing H2 at 573 K for 1 h. The obtained Pd/WOx catalyst was passivated using 1% O2/N2 for 4 h at room temperature before exposure to air."
+ }
+ ],
+ "Fe-N-C-single-atom-catalysts-with-high-density-of-Fe-Nx-sites-toward-peroxymonosulfate-activation-for-high-efficient-oxidation-of-bisphenol-A:-Electron-transfer-mechanism": [
+ {
+ "id": 477,
+ "sac_id": "Atom: Fe\nSupport Material: N-doped porous carbon (N/C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: N-doped porous carbon (N/C)\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanobenzene and urea were used as precursors. The mixture was heated at 700 \u00b0C under an argon flow of 100 mL min\u22121 for 3 h with a heating rate of 5 \u00b0C min\u22121. After cooling down to room temperature, the obtained powders were washed with 2 M HCl solution and deionized water several times, respectively. Subsequently, the samples were dried in a vacuum oven at 60 \u00b0C overnight.\nSAC synthesis: A certain amount of S powder and N-doped carbon powder were mixed and sealed in a quartz tube. The mixture was heated at 800 \u00b0C for 2 h with a heating rate of 5 \u00b0C min\u22121 under an argon flow of 100 mL min\u22121. After cooling down to room temperature, the SACs were obtained.",
+ "ground_truth": "Precursor synthesis: For comparison, Fe-doped ZIF prepared by using 20 mg Fe(NO3)3 \u00b7 9H2O (0.050 mM) and pure ZIF-8 without FePc or Fe(NO3)3 \u00b7 9H2O were obtained according to our previous report, respectively [18].\nSAC synthesis: FeSA-N-C and N/C derived from Fe-doped ZIF and ZIF-8 were synthesized via the same method, respectively."
+ }
+ ],
+ "Toward-biomass-based-single-atom-catalysts-and-plastics:-Highly-active-single-atom-Co-on-N-doped-carbon-for-oxidative-esterification-of-primary-alcohols": [
+ {
+ "id": 478,
+ "sac_id": "Atom: Fe\nSupport Material: Nitrogen-doped carbon (N@C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Organic\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Nitrogen-doped carbon (N@C)\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanogermoxane (Ge(CN)2) was used as a source of Fe and Ge atoms.\nSynthesis: The synthesis procedure is similar to that of Au2O3/N@C and Cu2O3/N@C, with the ratio of Ge(CN)2:benzene ring adjusted to achieve different Ge contents.\nPost-synthesis Treatment: None reported.",
+ "ground_truth": "Precursor synthesis: Typically, 8 g lignin was dissolved in 1000 mL deionized water with mechanical stirring to form black lignin solution. Metal ions solution with Fe(NO3)2.6H2O (8 mmol) and Zn(NO3)2.6H2O (40 mmol) was added into the lignin solution and kept stirring for 1 h. Finally, the Fe/Zn-L complex was separated through centrifugation after \u02dc 12 h of aging and dried at 80 \u2103 overnight.\nSAC synthesis: The as-obtained Fe/Zn-L complex was homogeneously mixed with ten times weight of dicyandiamide by grinding in a mortar. The mixture powder was annealed at 550 \u2103 for 1 h and then at 1000 \u2103 for 1 h in a tube furnace under an argon atmosphere with the flow rate of 70 mL/min. After cooling to room temperature, the obtained material was grinded for test."
+ },
+ {
+ "id": 479,
+ "sac_id": "Atom: Co\nSupport Material: Nitrogen-doped carbon (N@C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Organic\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Nitrogen-doped carbon (N@C)\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanobenzene (0.5 g), zinc acetate dihydrate (2.986 g), and anhydrous ethanol (30 mL) were mixed in a 100 mL Teflon-lined stainless steel autoclave and heated at 120 \u00b0C for 12 h. The products were collected by centrifugation, washed with ethanol several times to remove unreacted reagents, and dried at 70 \u00b0C under vacuum overnight.\nSAC synthesis: In a typical procedure, 1,4-dicyanobenzene oligomers (0.1 g) and cobalt(II) acetylacetonate (Co(acac)2, 0.01 g) were dispersed in F127 (100 mg) solution (10 mL) followed by sonication for 30 min. The mixture was then transferred to an autoclave and heated at 120 \u00b0C for 12 h. After cooling down to room temperature, the products were collected by centrifugation, washed with ethanol several times to remove unreacted reagents, and dried at 70 \u00b0C under vacuum overnight.",
+ "ground_truth": "Precursor synthesis: Typically, 8 g lignin was dissolved in 1000 mL deionized water with mechanical stirring to form black lignin solution. Metal ions solution with Co(NO3)2.6H2O (8 mmol) and Zn(NO3)2.6H2O (40 mmol) was added into the lignin solution and kept stirring for 1 h. Finally, the Co/Zn-L complex was separated through centrifugation after \u02dc 12 h of aging and dried at 80 \u2103 overnight.\nSAC synthesis: The as-obtained Co/Zn-L complex was homogeneously mixed with ten times weight of dicyandiamide by grinding in a mortar. The mixture powder was annealed at 550 \u2103 for 1 h and then at 1000 \u2103 for 1 h in a tube furnace under an argon atmosphere with the flow rate of 70 mL/min. After cooling to room temperature, the obtained material was grinded for test."
+ },
+ {
+ "id": 480,
+ "sac_id": "Atom: Cu\nSupport Material: Nitrogen-doped carbon (N@C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Organic\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: Nitrogen-doped carbon (N@C)\n\n",
+ "predicted": "Precursor synthesis: Copper acetate monohydrate (Cu(CH3COO)2\u00b7H2O, 0.548 g) and 1,10-phenanthroline (phen, 0.697 g) were dissolved in 5 mL ethanol with continuous stirring for 1 h at room temperature to obtain a homogeneous solution. Then, 2-methylimidazole (2-MeIm, 0.752 g) was added to the above solution under stirring conditions at room temperature until it remained unchanged for 24 h. The precipitate was collected by centrifugation, washed with ethanol several times, and dried at 80 \u00b0C in an oven overnight to obtain ZIF-67.\n\nSynthesis of ZIF-67/SiO2: ZIF-67 (100 mg) was dispersed in a mixed solvent of methanol (50 mL) and ammonium hydroxide (10 mL) under stirring conditions at room temperature for 30 min. Then, tetraethyl orthosilicate (TEOS, 0.1 mL) was added dropwise into the above solution. After stirring for another 30 min, the mixture was centrifuged and dried at 80 \u00b0C in an oven to obtain ZIF-67/SiO2.\n\nSacrifice template method: ZIF-67/SiO2 (50 mg) was dispersed in 50 mL deionized water under sonication for 10 min to form a uniform suspension. Potassium thiocyanate (KSCN, 100 mg) was dissolved in the above solution under stirring conditions at room temperature for 30 min. Then, the suspension was centrifuged and dried at 80 \u00b0C in an oven to obtain ZIF-67/SiO2@KSCN. Next, the obtained powder was annealed at 800 \u00b0C in a tube furnace under Ar atmosphere for 2 h at a heating rate of 5 \u00b0C min-1 to produce S@N@C. Finally, the S@N@C was etched in HF solution (20 wt%) for 24 h to remove the SiO2 template to obtain N@C.",
+ "ground_truth": "Precursor synthesis: Typically, 8 g lignin was dissolved in 1000 mL deionized water with mechanical stirring to form black lignin solution. Metal ions solution with Cu(NO3)2.6H2O (8 mmol) and Zn(NO3)2.6H2O (40 mmol) was added into the lignin solution and kept stirring for 1 h. Finally, the Cu/Zn-L complex was separated through centrifugation after \u02dc 12 h of aging and dried at 80 \u2103 overnight.\nSAC synthesis: The as-obtained Cu/Zn-L complex was homogeneously mixed with ten times weight of dicyandiamide by grinding in a mortar. The mixture powder was annealed at 550 \u2103 for 1 h and then at 1000 \u2103 for 1 h in a tube furnace under an argon atmosphere with the flow rate of 70 mL/min. After cooling to room temperature, the obtained material was grinded for test."
+ },
+ {
+ "id": 481,
+ "sac_id": "Atom: Ni\nSupport Material: Nitrogen-doped carbon (N@C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Organic\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Nitrogen-doped carbon (N@C)\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanobenzene (2.0 g), urea (5.6 g), and NH4Cl (5.6 g) were added into a Pyrex tube and heated at 180 \u00b0C for 3 days. After cooling down to room temperature, the solid product was washed with water and ethanol several times. The obtained graphitic carbon nitride (g-C3N4) was dried in an oven overnight.\n\nSynthesis of Ni-N@C: A mixture of graphitic carbon nitride (1.0 g), NiCl2\u00b76H2O (2.7 g), and sulfur powder (0.9 g) was sealed in a quartz tube under argon gas (ca. 50 mbar) and heated up to 700 \u00b0C with a ramping rate of 3 \u00b0C/min. After heating, the sample was cooled down to room temperature.",
+ "ground_truth": "Precursor synthesis: Typically, 8 g lignin was dissolved in 1000 mL deionized water with mechanical stirring to form black lignin solution. Metal ions solution with Ni(NO3)2.6H2O (8 mmol) and Zn(NO3)2.6H2O (40 mmol) was added into the lignin solution and kept stirring for 1 h. Finally, the Ni/Zn-L complex was separated through centrifugation after \u02dc 12 h of aging and dried at 80 \u2103 overnight.\nSAC synthesis: The as-obtained Ni/Zn-L complex was homogeneously mixed with ten times weight of dicyandiamide by grinding in a mortar. The mixture powder was annealed at 550 \u2103 for 1 h and then at 1000 \u2103 for 1 h in a tube furnace under an argon atmosphere with the flow rate of 70 mL/min. After cooling to room temperature, the obtained material was grinded for test."
+ }
+ ],
+ "Solid-micellar-Ru-single-atom-catalysts-for-the-water-free-hydrogenation-of-CO2-to-formic-acid": [
+ {
+ "id": 482,
+ "sac_id": "Atom: Ru\nSupport Material: MCM-41\nSynthesis Method: High temperature\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ru\nSupport Material: MCM-41\n\n",
+ "predicted": "Precursor synthesis: The [RuCl2(\u03b76-arene)] complexes were prepared according to literature procedures.\n\nMCM-41 synthesis: The MCM-41 supports were prepared by a method similar to that described in the main text for Zr-MOFs, except that Zr(OBu)4 was replaced by LnCl3 (Ln = Y, Sc).\n\nImmobiment of [RuCl2(\u03b76-arene)] on MCM-41: A similar procedure was followed as that described for Zr-MOFs immobiment, except that Zr(OBu)4 was replaced by LnCl3 (Ln = Y, Sc).\n\nRemoval of Cl ions: The above samples were reduced with 5% H2/Ar at 300 \u00b0C for 2 h, followed by carbonization at 800 \u00b0C for another 2 h under an Ar atmosphere.",
+ "ground_truth": "Precursor synthesis: Ru(OH)3 has been synthesized by hydrolysis of the RuCl3 solution by addition of NH3 \u00b7 H2O (25 %).\nSAC synthesis: The calcination of Ru(OH)3 at 450 \u00b0C for 2 h was used for the synthesis of RuO2."
+ },
+ {
+ "id": 483,
+ "sac_id": "Atom: Ru\nSupport Material: MCM-41\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ru\nSupport Material: MCM-41\n\n",
+ "predicted": "Precursor synthesis: The [RuCl2(\u03b76-arene)] complexes were prepared according to literature procedures.\n\nMCM-41 synthesis: The MCM-41 supports were prepared by a method similar to that described in the main text for Zr-MOFs, except that Zr(OBu)4 was replaced by LnCl3 (Ln = Y, Sc).\n\nImmobiment of [RuCl2(\u03b76-arene)] on MCM-41: A similar procedure was followed as that described for Zr-MOFs immobiment, except that Zr(OBu)4 was replaced by LnCl3 (Ln = Y, Sc).\n\nRemoval of Cl ions: The above samples were reduced with 5% H2/Ar at 300 \u00b0C for 2 h, followed by carbonization at 800 \u00b0C for another 2 h under an Ar atmosphere.",
+ "ground_truth": "Precursor synthesis: Ru(OH)3 has been synthesized by hydrolysis of the RuCl3 solution by addition of NH3 \u00b7 H2O (25 %).\nSAC synthesis: The calcination of Ru(OH)3 at 450 \u00b0C for 2 h was used for the synthesis of RuO2."
+ },
+ {
+ "id": 484,
+ "sac_id": "Atom: Ru\nSupport Material: None\nSynthesis Method: High temperature\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ru\nSupport Material: None\n\n",
+ "predicted": "In the context of the paper, there are no explicit procedures described for elemental Ru. The paper primarily focuses on transition metal oxides and their catalytic properties, with no detailed synthesis or reduction procedures provided for the elements in their elemental form.",
+ "ground_truth": "Precursor synthesis: Ru(OH)3 has been synthesized by hydrolysis of the RuCl3 solution by addition of NH3 \u00b7 H2O (25 %).\nSAC synthesis: The calcination of Ru(OH)3 at 450 \u00b0C for 2 h was used for the synthesis of RuO2."
+ }
+ ],
+ "Template-free-synthesis-of-non-noble-metal-single-atom-electrocatalyst-with-N-doped-holey-carbon-matrix-for-highly-efficient-oxygen-reduction-reaction-in-zinc-air-batteries": [
+ {
+ "id": 485,
+ "sac_id": "Atom: Ni\nSupport Material: N-doped holey carbon matrix (NHC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: N-doped holey carbon matrix (NHC)\n\n",
+ "predicted": "Precursor synthesis: ZIF-8 was prepared using 2-methylimidazole and zinc nitrate hexahydrate, following a previously reported method with some modifications. In a typical synthesis, 2-methylimidazole (7.46 g) was dissolved in 150 mL of methanol. Zn(NO3)2\u00b76H2O (1.98 g) in 150 mL of methanol was then added to the above solution under vigorous stirring for 4 h at room temperature. After that, the solution was kept undisturbed for another 4 h and finally centrifuged at 10,000 rpm for 5 min. The obtained precipitates were then washed three times with methanol and dried overnight at 60 \u00b0C.\n\nSynthesis of NHC: A certain amount of as-synthesized ZIF-8 powder was calcined at 1000 \u00b0C for 2 h in a tube furnace under an argon flow (100 sccm), maintaining the heating rate at 5 \u00b0C min^-1. Upon completion of the thermal treatment, NHC was acquired by scratching off the black product from the alumina crucible and washing it with deionized water and ethanol. Finally, the product was dried overnight at 60 \u00b0C.",
+ "ground_truth": "Precursor synthesis: The cucurbit[6]uril (CB[6]) was prepared according to a previously reported process [14].\nSAC synthesis: The similar processes were employed by replacing FeCl2 \u00b7 6H2O with NiCl2 \u00b7 6H2O in the same mass. Samples were denoted as Ni-NHC."
+ },
+ {
+ "id": 486,
+ "sac_id": "Atom: Fe\nSupport Material: N-doped holey carbon matrix (NHC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: N-doped holey carbon matrix (NHC)\n\n",
+ "predicted": "Precursor synthesis: Iron(II) acetate tetrahydrate and 2-methylimidazole were used as precursors for iron doping.\nNHC synthesis: ZIF-8-derived NHC was prepared via pyrolysis of ZIF-8 at 1100 \u00b0C under an Ar atmosphere for 2 h.",
+ "ground_truth": "Precursor synthesis: The cucurbit[6]uril (CB[6]) was prepared according to a previously reported process [14].\nSAC synthesis: In a typical procedure, 2 mg FeCl2 \u00b7 6H2O was added into 2 mL deionized water and absolutely soluble with ultrasonic treatment to get aqueous solution. Then 300 mg CB[6] and 3 mL deionized water were added into FeCl2 aqueous solution followed by magnetic stirring for 6 h. Next, the mixture was lyophilized and moved to furnace. With the heating rate of 5 \u00b7 C/min, the sample was kept at 900 \u00b7 C for 3 h under N2 atmosphere, and then naturally cooled to room temperature. The resultant powder (about 30 mg) was collected and put into 30 mL 1 M HCl aqueous followed by stirring for 12 h. Lastly, the sample was washed with water three times and ethanol once before drying in vacuum. The sample was denoted as Fe-NHC."
+ },
+ {
+ "id": 487,
+ "sac_id": "Atom: Co\nSupport Material: N-doped holey carbon matrix (NHC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: N-doped holey carbon matrix (NHC)\n\n",
+ "predicted": "Precursor synthesis: Zn(NO3)2\u00b76H2O (1 mmol) and Co(acac)2 (0.45 mmol) were dissolved in 30 mL of methanol to form a homogeneous solution, denoted as solution A. 2-methylimidazole (8 mmol) was dispersed in 30 mL of methanol to form another homogeneous solution, denoted as solution B. Solution B was subsequently added into solution A under vigorous stirring for 2 h at room temperature. The mixture was then transferred into a Teflon-lined stainless-steel autoclave and kept at 120 \u00b0C for 4 h. The obtained products were centrifuged, washed with ethanol three times, and dried at 70 \u00b0C in an oven overnight.\n\nSynthesis of ZIF-8/Co-Zn@ZIF-8 composites with holey structure: 0.9 mmol of Zn(NO3)2\u00b76H2O, 0.1 mmol of Co(acac)2, and 8 mmol of 2-methylimidazole were added into 15 mL of methanol to form a homogeneous solution, denoted as solution C. 0.9 mmol of Zn(NO3)2\u00b76H2O and 8 mmol of 2-methylimidazole were added into 15 mL of methanol to form another homogeneous solution, denoted as solution D. Solution C was added into solution D under vigorous stirring for 2 h at room temperature. The mixture was then transferred into a Teflon-lined stainless-steel autoclave and kept at 120 \u00b0C for 4 h. The obtained products were centrifuged, washed with ethanol three times, and dried at 70 \u00b0C in an oven overnight.\n\nPyrolysis to obtain Co/Zn-NC@C3N4: The as-prepared ZIF-8/Co-Zn@ZIF-8 composites were heated at 900 \u00b0C for 2 h under Ar flowing (flow rate: 50 sccm).",
+ "ground_truth": "Precursor synthesis: The cucurbit[6]uril (CB[6]) was prepared according to a previously reported process [14].\nSAC synthesis: The similar processes were employed by replacing FeCl2 \u00b7 6H2O with CoCl2 \u00b7 6H2O in the same mass. Samples were denoted as Co-NHC."
+ }
+ ],
+ "Oxygen-Reduction-Reaction-Catalyzed-by-Carbon-Supported-Platinum-Few-Atom-Clusters:-Significant-Enhancement-by-Doping-of-Atomic-Cobalt": [
+ {
+ "id": 488,
+ "sac_id": "Atom: Co\nSupport Material: Nitrogen-doped carbon nanowires (N-doped carbon)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Nitrogen-doped carbon nanowires (N-doped carbon)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 0.25 g of cetyltrimethylammonium bromide (CTAB) was dissolved in 17 mL of deionized water containing 3.84 g of sodium hydroxide (NaOH). After stirring at room temperature for 10 min, the solution was cooled to 4 \u00b0C by an ice bath and 6.92 g of ferrous sulfate heptahydrate (FeSO4\u00b77H2O) was added under vigorous stirring. The mixture was kept at 4 \u00b0C for 2 h with no agitation and then transferred into a refrigerator overnight to ensure complete crystallization. The black precipitate was collected by centrifuging and subsequently washing with ethanol and deionized water several times.\n\n0.1 g of as-prepared FeOOH was dispersed in 10 mL of deionized water containing 0.15 g dopamine hydrochloride. After stirring at room temperature for 12 h, the solid product was separated using centrifugation and washed with ethanol and deionized water several times. The resulting product was dried at 60 \u00b0C overnight.\n\n0.1 g of Fe/dopamine composite was put into a tube furnace and heated from room temperature to 900 \u00b0C via a heating rate of 5 \u00b0C min -1 under flowing Ar gas. After being heated at 900 \u00b0C for 2 h, the furnace was cooled down to room temperature under an argon atmosphere. The obtained product was dispersed in 3 M HCl solution and stirred at room temperature for 12 h to remove the iron nanoparticles. The product was collected by centrifugation and washed with deionized water until the supernatant became neutral. Finally, the product was dried at 60 \u00b0C overnight.\n\n100 mg of NC wires were dispersed in 50 mL of ethanol containing 100 mg of melamine. After stirring at room temperature for 12 h, the solid product was separated using centrifugation and dried at 60 \u00b0C overnight. Then, the dried sample was ground in a mortar followed by being calcined at 900 \u00b0C for 2 h under a flowing Ar atmosphere. The products were denoted as n-NC.",
+ "ground_truth": "Precursor synthesis: 0.1844 g of Na2TeO3 and 2 g of polyvinylpyrrolidone were dissolved in 65 mL of nanopure water under vigorous stirring. 3.3 mL of N2H4 and 6.7 mL of ammonia were injected into the solution. The solution was transferred to a 100 mL Teflon-lined autoclave container and heated at 180 \u00b0C for 3 h. The autoclave was cooled down naturally and stored in a 4 \u00b0C refrigerator for further use. 10 mL of Te NWs was centrifuged at 3000 rpm for 2 min with the addition of acetone as a precipitation agent. After washing with water and ethanol three times, Te NWs were dispersed in 10 mL of water. 0.126 g of melamine in 10 mL of water was added to a 50 mL round-bottom flask and heated at 90 \u00b0C under magnetic stirring. The Te NWs solution, 20 \u03bcL of 0.2 M NaOH, and 0.53 mL of formaldehyde were injected into the solution. The solution was heated at 90 \u00b0C for 7 h before being cooled down naturally. The product was collected by centrifugation at 5000 rpm for 5 min, washed with water and ethanol, and dried in a freeze dryer for 24 h. SAC synthesis: 100 mg of the Te-MF nanofibers was dispersed into 30 mL of nanopure water under magnetic stirring at 350 rpm and heated at 50 \u00b0C. A varied amount of PtCl4 (0.5, 1, 2, and 6 mg) was added to the solution. The reaction was run for 24 h, and the color of the solution was found to change from blue to pale white. The solids were collected by centrifugation and rinsed with water several times. The obtained product was mixed with a certain amount of CoCl2\u00b76H2O (0.25, 0.5, 1, and 3 mg) and dried with a freeze drier. The mixtures were placed in a tube furnace and heated at 900 \u00b0C for 3 h under a nitrogen flow of 200 cc/min. The resulting samples were denoted as PtCo-NCy with y = 1, 2, 3, and 4."
+ },
+ {
+ "id": 489,
+ "sac_id": "Atom: Pt\nSupport Material: Nitrogen-doped carbon nanowires (N-doped carbon)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Nitrogen-doped carbon nanowires (N-doped carbon)\n\n",
+ "predicted": "Precursor synthesis: The preparation of ZIF-8 was conducted by the reported method. *In a typical synthesis, 2-methylimidazole (1.96 g) was dissolved in 50 mL methanol and 37.4 mL water, followed by the addition of 50 mL methanol containing 190 mg Zn(NO3)2\u00b76H2O. After stirring at room temperature for 24 h, the product was collected by centrifugation, washed with ethanol three times, and dried under vacuum at 60 \u00b0C.\n\nThe as-prepared ZIF-8 (500 mg), dopamine hydrochloride (250 mg), and polyvinylpyrrolidone (PVP, 100 mg) were dispersed into 100 mL deionized water, then transferred to Teflon-lined autoclave and heated at 180 \u00b0C for 12 h. After cooling down naturally, the product was collected by centrifugation, washed with deionized water and ethanol, and dried under vacuum at 60 \u00b0C.\n\nAfter that, the as-obtained product (100 mg) was calcined at 800 \u00b0C for 2 h with a heating rate of 5 \u00b0C min -1 under an argon flow. The resulting black powder was leached in 0.5 M H2SO4 at 80 \u00b0C for 12 h to remove impurity ions, followed by washing with deionized water and drying at 60 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: 0.1844 g of Na2TeO3 and 2 g of polyvinylpyrrolidone were dissolved in 65 mL of nanopure water under vigorous stirring. 3.3 mL of N2H4 and 6.7 mL of ammonia were injected into the solution. The solution was transferred to a 100 mL Teflon-lined autoclave container and heated at 180 \u00b0C for 3 h. The autoclave was cooled down naturally and stored in a 4 \u00b0C refrigerator for further use. 10 mL of Te NWs was centrifuged at 3000 rpm for 2 min with the addition of acetone as a precipitation agent. After washing with water and ethanol three times, Te NWs were dispersed in 10 mL of water. 0.126 g of melamine in 10 mL of water was added to a 50 mL round-bottom flask and heated at 90 \u00b0C under magnetic stirring. The Te NWs solution, 20 \u03bcL of 0.2 M NaOH, and 0.53 mL of formaldehyde were injected into the solution. The solution was heated at 90 \u00b0C for 7 h before being cooled down naturally. The product was collected by centrifugation at 5000 rpm for 5 min, washed with water and ethanol, and dried in a freeze dryer for 24 h. SAC synthesis: 100 mg of the Te-MF nanofibers was dispersed into 30 mL of nanopure water under magnetic stirring at 350 rpm and heated at 50 \u00b0C. A varied amount of PtCl4 (0.5, 1, 2, and 6 mg) was added to the solution. The reaction was run for 24 h, and the color of the solution was found to change from blue to pale white. The solids were collected by centrifugation and rinsed with water several times. The obtained product was directly dried with a freeze drier. The mixtures were placed in a tube furnace and heated at 900 \u00b0C for 3 h under a nitrogen flow of 200 cc/min. The resulting samples were denoted as Pt-NCy with y = 1, 2, 3, and 4."
+ }
+ ],
+ "Regulated-coordination-environment-of-Ni-single-atom-catalyst-toward-high-efficiency-oxygen-electrocatalysis-for-rechargeable-Zinc-air-batteries": [
+ {
+ "id": 490,
+ "sac_id": "Atom: FeNi\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: FeNi\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 0.2 g glucose, 6 mmol Zn(NO3)2\u00b76H2O, and 14 mmol Co(NO3)2\u00b76H2O were dissolved in 50 mL deionized water and stirred to obtain solution A. 8 mmol Ni(NO3)2\u00b76H2O and a variable amount of Fe(NO3)3\u00b79H2O (x = 0, 0.75, 1.5, and 3) were dissolved in 50 mL deionized water to form solution B. Solution A was quickly added into solution B under vigorous stirring for 3 h at room temperature. The mixed solutions were transferred to a teflon-lined stainless steel autoclave and kept at 180 \u00b0C for 6 h. The products were obtained after centrifugation, washing with ethanol several times, and drying overnight at 60 \u00b0C. The obtained precursors were denoted as NC-CoNi(B).\nSynthesis of FeNi-N-C materials: After the pyrolysis of NC-CoNi(B), the obtained products were treated with 0.5 M H2SO4 solution at 80 \u00b0C for 12 h to remove impurity metal ions. After being washed to neutrality, the samples were finally dried at 60 \u00b0C overnight to obtain FeNi-N-C.",
+ "ground_truth": "Precursor synthesis: 100 mg of BP2000, 0.9 mg of FeCl\u2083\u00b76H\u2082O and 0.79 mg of Ni(CH\u2083COO)\u2082\u00b74H\u2082O were dispersed in 6 M HNO\u2083 (30 mL). The mixture was magnetic stirred under 80 \u00b0C in an oil bath for 6 h, then dried at 60 \u00b0C for 10 h. Mixing the resultant powder with 1 g of urea in an agate mortar, the mixture was transferred to a ceramic boat and calcined in a tube furnace at 950 \u00b0C for 1 h under nitrogen atmosphere with the flow rate of 5 \u00b0C min\u207b\u00b9. After that, FeNi-SAs@NC electrocatalyst was obtained."
+ },
+ {
+ "id": 491,
+ "sac_id": "Atom: Fe\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 1,4-dicyanogermoxane (C2N2GeX2, 300 mg), zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O, 5.98 g), triethylamine (NEt3, 1 mL) were dissolved in methanol (40 mL). After stirring for 1 h at room temperature, the precipitate was collected by centrifugation and washed with methanol three times. Then the product was dried in vacuum at 70 \u00b0C for 12 h.\n\nSynthesis of Germoxene-based ZIF-8/NC: In a typical procedure, 200 mg as-prepared C2N2GeX2 powder and 1.25 g 2-methylimidazole were added into 40 mL methanol and stirred for 1 h. Then 1.56 g Zn(NO3)2\u00b76H2O dissolved in methanol (2 mL) was added and the mixture was stirred for another 24 h. The resulting precipitates were collected by centrifugation, washed with methanol several times, and finally dried in vacuum at 70 \u00b0C overnight. The obtained products were named as Ge-ZIF-8. The Ge-ZIF-8 was then placed in a tube furnace and heated to 1100 \u00b0C with a heating rate of 5 \u00b0C min^-1 and kept for 3 h under Ar flowing, after which the heating was stopped and the gas was switched to pure ammonia for 12 h. Finally, the products were washed with HCl solution to remove metallic residues, followed by washing with water and ethanol respectively, and dried at 70 \u00b0C, which was denoted as Ge-NC. Similarly, SbF5 was used as a precursor to synthesize Sb-NC.\n\nFe-NC: 200 mg Ge-NC powder and 1.25 g Fe(NO3)3\u00b79H2O were added into 20 mL methanol and stirred for 1 h. Then 1.56 g Zn(NO3)2\u00b76H2O dissolved in methanol (2 mL) was added and the mixture was stirred for another 24 h. The resulting precipitates were collected by centrifugation, washed with methanol several times, and finally dried in vacuum at 70 \u00b0C overnight. The obtained products were placed in a tube furnace and heated to 1100 \u00b0C with a heating rate of 5 \u00b0C min^-1 and kept for 3 h under Ar flowing, after which the heating was stopped and the gas was switched to pure ammonia for 12 h. Finally, the products were washed with HCl solution to remove metallic residues, followed by washing with water and ethanol respectively, and dried at 70 \u00b0C, which was denoted as Fe-NC.",
+ "ground_truth": "Precursor synthesis: 100 mg of BP2000 and 0.9 mg of FeCl\u2083\u00b76H\u2082O were dispersed in 6 M HNO\u2083 (30 mL). The mixture was magnetic stirred under 80 \u00b0C in an oil bath for 6 h, then dried at 60 \u00b0C for 10 h. Mixing the resultant powder with 1 g of urea in an agate mortar, the mixture was transferred to a ceramic boat and calcined in a tube furnace at 950 \u00b0C for 1 h under nitrogen atmosphere with the flow rate of 5 \u00b0C min\u207b\u00b9. After that, Fe-SAs@NC electrocatalyst was obtained."
+ },
+ {
+ "id": 492,
+ "sac_id": "Atom: Ni\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 0.25 g glucose, 10 mg nickel chloride hexahydrate (NiCl\u2082\u00b76H\u2082O), and 30 mg dicyandiamide (C2N4) were added into 8 mL deionized water with stirring for 12 h to obtain a homogeneous solution.\nSAC synthesis: The obtained solution was then transferred into a Teflon-lined autoclave and heated at 180 \u00b0C for 18 h. After cooling down to room temperature, the product was collected by centrifugation and dried in a vacuum oven overnight.\nNitrogen doping: The as-obtained Ni/NC sample was placed in a tube furnace and heated to 900 \u00b0C for 2 h at a rate of 5 \u00b0C min\u207b\u00b9 under Ar flow. Afterward, the furnace was switched to NH3 flow and further heated to 950 \u00b0C at a rate of 5 \u00b0C min\u207b\u00b9 and kept there for 120 min before cooling down to room temperature.",
+ "ground_truth": "Precursor synthesis: 100 mg of BP2000 and 0.79 mg of Ni(CH\u2083COO)\u2082\u00b74H\u2082O were dispersed in 6 M HNO\u2083 (30 mL). The mixture was magnetic stirred under 80 \u00b0C in an oil bath for 6 h, then dried at 60 \u00b0C for 10 h. Mixing the resultant powder with 1 g of urea in an agate mortar, the mixture was transferred to a ceramic boat and calcined in a tube furnace at 950 \u00b0C for 1 h under nitrogen atmosphere with the flow rate of 5 \u00b0C min\u207b\u00b9. After that, Ni-SAs@NC electrocatalyst was obtained."
+ }
+ ],
+ "In-situ-surface-confined-fabrication-of-single-atomic-Fe-N4-on-N-doped-carbon-nanoleaves-for-oxygen-reduction-reaction": [
+ {
+ "id": 493,
+ "sac_id": "Atom: Fe\nSupport Material: N-doped carbon nanoleaves (L-FeNC)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: N-doped carbon nanoleaves (L-FeNC)\n\n",
+ "predicted": "Precursor synthesis: 0.2 g of FeCl3\u00b76H2O and 1 g of chitosan were dispersed in 50 mL deionized water under magnetic stirring for 8 h at room temperature to obtain a homogeneous Fe3+-chitosan solution. Subsequently, the obtained solution was then transferred into a Teflon-lined autoclave and heated at 140 \u00b0C for 12 h to form a hydrogel. After that, the hydrogel was freeze-dried for 72 h to remove any remaining water. Finally, the dried sample was annealed at 900 \u00b0C for 2 h with a ramping rate of 5 \u00b0C min-1 under argon flowing protection to obtain L-FeNC.",
+ "ground_truth": "Precursor synthesis: First, two solutions were prepared by dissolving 1 mmol of Zn(NO3)2\u00b76H2O in 20 mL of deionized water and 8 mmol of 2-mIm in 20 mL of deionized water, respectively. Then, the solution of Zn(NO3)2\u00b76H2O was poured into the solution of 2-mIm. Next, the mixed solution was vigorously stirred at room temperature for 12 h. The precipitates were separated by centrifugation and washed with deionized water for three times. Then, the products were dispersed in 10 mL deionized water. The Fe-ZIF-L was prepared by using ZIF-L as precursor. In a typical synthesis of Fe-ZIF-L-0.3, aqueous solution of K3[Fe(CN)6] (20 mL, 5 mg mL\u22121) was added into 10 mL of ZIF-L suspension under stirring. After stirring for 4 h at room temperature, Fe-ZIFL was separated by centrifugation and washed with deionized water for three times, followed by drying at 60 \u00b0C overnight. For the synthesis of other Fe-ZIF-L samples, different amount of K3[Fe(CN)6] (33 mg for Fe-ZIF-L-0.1, 66 mg for Fe-ZIF-L-0.2, and 132 mg for Fe-ZIF-L-0.4) was added. SAC synthesis: For the synthesis of L-FeNC, 80 mg Fe-ZIF-L was calcined at 900 \u00b0C for 2 h with a ramping rate of 5 \u00b0C min\u22121 in a tube furnace under Ar atmosphere. NC and FeNC were obtained by calcining ZIFL and Fe doped ZIF-L under the same condition as L-FeNC."
+ }
+ ],
+ "Directly-anchoring-non-noble-metal-single-atoms-on-1T-TMDs-with-tip-structure-for-efficient-hydrogen-evolution": [
+ {
+ "id": 494,
+ "sac_id": "Atom: W\nSupport Material: 1T-CrS2\nSynthesis Method: Vapour/Gas-phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: W\nSupport Material: 1T-CrS2\n\n",
+ "predicted": "Precursor synthesis: A piece of Cr foil (1 \u00d7 3 cm\u00b2) was cleaned by sonicating in acetone, ethanol, and deionized water for 15 min each. Then, the cleaned Cr foil was immersed into a solution containing 0.4 mM sulfur (Sigma-Aldrich), 0.8 M mercaptopropionic acid (MPA, Sigma-Aldrich), and 0.4 M thiourea (TU, Sigma-Aldrich) in a Teflon-lined stainless-steel autoclave with 10 mL of ethanol and 5 mL of water at 140 \u00b0C for 24 h. After reaction, the obtained CrS2 nanoribbons were rinsed with ethanol and deionized water three times each.\n\nConversion to 1T-CrS2: The as-synthesized 1H-CrS2 nanoribbons were transferred into a quartz boat and annealed in a tube furnace under Ar flow at 600 \u00b0C for 2 h with a heating rate of 5 \u00b0C min\u207b\u00b9. The obtained samples are denoted as 1T-CrS2.",
+ "ground_truth": "Precursor synthesis: The 1T-CrS2 nanoflakes were synthesized using a dual-temperature-zone tube furnace system with S (99.9%, Aladdin) and CrCl3 (99.9%, anhydrous, Alfa Aesar) as precursors and high-purity Ar as carrier gas. S powder, CrCl3 powder, and substrate were placed from upstream to downstream of argon carrier gas in sequence. More importantly, NaCl (2 mg, 99.5%, Aladdin) was added to reduce the melting point of CrCl3 powder (15 mg). The S powder was 800 mg. Growth substrate was 300 nm SiO2/Si (p-type, \u3008100\u3009, SigmaAldrich). The SiO2/Si growth substrate faced down into quartz boat and was tilted to 30\u00b0, the CrS2 crystals were more inclined to grow under 'kinetic' conditions rather than thermodynamic ones because of the more precursor's sufficient atmosphere. Under an Ar flow rate of 30 sccm, the S and CrCl3 precursors were heated up concurrently to 230\u00b0C and 720\u00b0C. After 30 min, the furnace was quickly cooled down to room temperature. The synthesized 1T-CrS2 nanoflakes were spin-coated with a thin layer of polymethyl methacrylate (PMMA, Alfa Aesar) at 2500 rpm for 60 s, and then baked at 110\u00b0C for 1 min. The hot alkaline solution (2 mol/L KOH, 80\u00b0C) was used to etch the SiO2 substrate layer. After that, the PMMA/CrS2 films were transferred to deionized water and floated on the surface of water to remove the residual etchant. Subsequently, the films were picked up using glassy carbon substrate and the top layer of PMMA was removed by hot acetone. Finally, after transferring the standing 1T-CrS2 nanoflakes from SiO2/Si substrate to glassy carbon, the standing 1T-CrS2 nanoflakes became lying flat on the glassy carbon.\nSAC synthesis: W SAs@1T-CrS2 was also prepared with the same method using W round target (purity 99.99%) instead of Mo round target."
+ },
+ {
+ "id": 495,
+ "sac_id": "Atom: Mo\nSupport Material: 1T-CrS2\nSynthesis Method: Vapour/Gas-phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Mo\nSupport Material: 1T-CrS2\n\n",
+ "predicted": "Precursor synthesis: Cr(NO3)3\u00b79H2O (0.5 mmol), S (0.7 mmol) were dissolved in deionized water (40 mL) under vigorous magnetic stirring to form a homogeneous solution. Then, 20 mL of this solution was transferred into a 50-mL Teflon autoclave and heated at 180 \u00b0C for 12 h. After cooling down naturally, the product was collected by centrifugation, followed by washing with deionized water and ethanol for several times.\n1T-CrS2 electrode synthesis: The as-prepared 1T-CrS2 (2 mg), carbon black (0.2 mg), and polyvinylidene fluoride (0.6 mg) were well-dispersed in 2-methylpropyl propionate (5 mL) with the assistance of tip sonication for 2 h. Subsequently, dimethyl sulfoxilane (100 \u03bcL) was added into the above mixture and tip sonicated for another hour before being transferred into a plastic case. Finally, slurry was coated onto carbon cloth and dried at 50 \u00b0C under vacuum to obtain 1T-CrS2 carbon cloth electrode.",
+ "ground_truth": "Precursor synthesis: The 1T-CrS2 nanoflakes were synthesized using a dual-temperature-zone tube furnace system with S (99.9%, Aladdin) and CrCl3 (99.9%, anhydrous, Alfa Aesar) as precursors and high-purity Ar as carrier gas. S powder, CrCl3 powder, and substrate were placed from upstream to downstream of argon carrier gas in sequence. More importantly, NaCl (2 mg, 99.5%, Aladdin) was added to reduce the melting point of CrCl3 powder (15 mg). The S powder was 800 mg. Growth substrate was 300 nm SiO2/Si (p-type, \u3008100\u3009, SigmaAldrich). The SiO2/Si growth substrate faced down into quartz boat and was tilted to 30\u00b0, the CrS2 crystals were more inclined to grow under 'kinetic' conditions rather than thermodynamic ones because of the more precursor's sufficient atmosphere. Under an Ar flow rate of 30 sccm, the S and CrCl3 precursors were heated up concurrently to 230\u00b0C and 720\u00b0C. After 30 min, the furnace was quickly cooled down to room temperature. The synthesized 1T-CrS2 nanoflakes were spin-coated with a thin layer of polymethyl methacrylate (PMMA, Alfa Aesar) at 2500 rpm for 60 s, and then baked at 110\u00b0C for 1 min. The hot alkaline solution (2 mol/L KOH, 80\u00b0C) was used to etch the SiO2 substrate layer. After that, the PMMA/CrS2 films were transferred to deionized water and floated on the surface of water to remove the residual etchant. Subsequently, the films were picked up using glassy carbon substrate and the top layer of PMMA was removed by hot acetone. Finally, after transferring the standing 1T-CrS2 nanoflakes from SiO2/Si substrate to glassy carbon, the standing 1T-CrS2 nanoflakes became lying flat on the glassy carbon.\nSAC synthesis: 1T-CrS2 nanoflakes on the glassy carbon were loaded into the ultrahigh vacuum chamber of L-MBE with background pressure of 1 \u00d7 10^-9 Torr for treatment. During the deposition process, a high pure Mo round target (purity 99.99%) was ablated by KrF pulsed laser (248 nm) to generate the Mo plasma. After 90 s deposition, Mo SAs@1T-CrS2 working electrode was prepared successfully for subsequent electrochemical measurements."
+ }
+ ],
+ "Photochemical-route-for-preparing-atomically-dispersed-Pd1-TiO2-catalysts-on-(001)-exposed-anatase-nanocrystals-and-P25": [
+ {
+ "id": 496,
+ "sac_id": "Atom: Pd\nSupport Material: commercial TiO2 (P25)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: commercial TiO2 (P25)\n\n",
+ "predicted": "Precursor synthesis: 1.0 g of commercial TiO2 (P25) was dispersed in 40 mL of deionized water under ultrasonication for 30 min at room temperature. The suspension was stirred vigorously in the dark for 60 min with a magnetic stirrer. Afterwards, different amounts of NaBH4 (0.05-0.75 g) were added to the above suspension and stirred for another 60 min. The suspensions were then irradiated under a Xenon lamp (100 W, Philips). After 60 min irradiation, the suspensions were centrifuged and washed with deionized water three times. The obtained products were dried at 60 \u00b0C overnight.\n\nAnnealing: The as-prepared samples were annealed at 400 \u00b0C for 2 h in a muffle furnace with a heating rate of 5 \u00b0C/min. The resulting sample is denoted as B-X/TiO2 (B represents borate ions, X represents the amount of NaBH4 (g) used for the reduction), where X = 0.05, 0.10, 0.20, 0.30, 0.40, 0.50, 0.60 and 0.75.\n",
+ "ground_truth": "Precursor synthesis: Preparation of the TiF4 stock solutions was achieved by following the procedure reported therein [26]. The synthesis was undertaken in a glovebox under a nitrogen atmosphere. After mixing 0.2 mol/L TiF4 and 1.0 mol/L OLAC in 1-ODE, the mixture was stirred in a water bath at 353 K to promote dissolution of TiF4. Once dissolved, the TiF4 stock solution was orange-brown.\n\nSynthesis of TiO2 NCs: The synthesis was performed using standard Schlenk line techniques under a nitrogen atmosphere. In a 125-mL flask, 30 mmol OLAM, 10.2 mL 1-ODE, and 0.48 mL (1.5 mmol) OLAC were combined, and the reaction mixture was degassed at 393 K for 1 h and cooled to 333 K under N2 atmosphere. Then, 1.5 mL TiF4 stock solution was added, and the resulting mixture was promptly heated to 563 K and held for 10 min to allow the formation of seeds. Then, 8 mL TiF4 stock solution was injected into the flask at 0.3 mL/min with a syringe pump. The heating mantle was then removed to allow the flask to cool naturally to room temperature. Then, the reaction contents were diluted with 5 mL toluene and centrifuged at 6000 r/min for 5 min to separate the NCs. The NCs were then redispersed in toluene via sonication, precipitated by 2-propanol and methanol and recovered by centrifugation. This washing procedure was repeated twice.\n\nSurface treatment of TiO2 NCs: Prior to using the NCs as a support for the catalyst preparation, they were treated with NaOH solution [27]. Briefly, 50 mg NCs was dispersed in 5 mL NaOH aqueous solution (H2O/ethanol = 1:1) and stirred in the dark for 8 h to remove surface fluoride.\n\nSAC synthesis: The general synthesis of the Pd/TiO2 catalysts was performed by dispersing TiO2 NCs (100 mg) in 10 mL water. Then, 0.2 mL H2PdCl4 solution (5 mmol/L) was added to the dispersion under stirring. The dispersion was then subjected to UV treatment at room temperature under stirring. The UV treatments were conducted on a xenon-lamp parallel light source system (CHF-XM35-500W, Beijing Trusttech Co. Ltd.) equipped with an optical filter that only allowed the transmission of 365 nm UV. All UV treatments were performed at an operating current of 10 A. The power density of the UV light was 1.94 mW/cm2, as measured by a radiometer (FZ-A, Beijing Normal University photoelectric instrument factory). After 10-min irradiation, the light grey 0.1% Pd/TiO2 product was collected via centrifugation and subsequently washed with water."
+ },
+ {
+ "id": 497,
+ "sac_id": "Atom: Pd\nSupport Material: (001)-exposed anatase nanocrystals (TiO2 NCs)\nSynthesis Method: Photochemical\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: (001)-exposed anatase nanocrystals (TiO2 NCs)\n\n",
+ "predicted": "Precursor synthesis: A 5 mL solution of Na2PdCl4 (0.37 M) was added dropwise to a 25 mL solution of NaOH (0.6 M) under stirring, forming a bright yellow Pd(OH)2 precipitate. The mixture was centrifuged at 8000 rpm for 5 min and washed with water three times by redispersing the precipitate in water, centrifuging at 8000 rpm for 5 min each time, until the supernatant became neutral. This precipitate was then dispersed in water (10 mL), and H2O2 (0.3 mL) was added. The color of the suspension changed from yellow to brown, indicating the formation of metallic palladium. The suspension was centrifuged at 8000 rpm for 5 min and washed twice with water. The obtained powder was freeze-dried overnight and used as the Pd@NCs precursor.\n\nSynthesis of (001)-exposed anatase TiO2 NC/Pd@NCs composites: The (001)-exposed anatase TiO2 NC/Pd@NCs composite was prepared using a modified hydrothermal method. Briefly, a 20 mL aqueous solution containing TiO2 NCs (0.5 mg ml\u22121) and Pd@NCs (0.25 mg ml\u22121) was transferred into a 30 mL Teflon-lined autoclave and heated at 200 \u00b0C for 2 h. After cooling to room temperature, the product was collected by centrifugation, washed with water three times, and dried at 60 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: Preparation of the TiF4 stock solutions was achieved by following the procedure reported therein [26]. The synthesis was undertaken in a glovebox under a nitrogen atmosphere. After mixing 0.2 mol/L TiF4 and 1.0 mol/L OLAC in 1-ODE, the mixture was stirred in a water bath at 353 K to promote dissolution of TiF4. Once dissolved, the TiF4 stock solution was orange-brown.\n\nSynthesis of TiO2 NCs: The synthesis was performed using standard Schlenk line techniques under a nitrogen atmosphere. In a 125-mL flask, 30 mmol OLAM, 10.2 mL 1-ODE, and 0.48 mL (1.5 mmol) OLAC were combined, and the reaction mixture was degassed at 393 K for 1 h and cooled to 333 K under N2 atmosphere. Then, 1.5 mL TiF4 stock solution was added, and the resulting mixture was promptly heated to 563 K and held for 10 min to allow the formation of seeds. Then, 8 mL TiF4 stock solution was injected into the flask at 0.3 mL/min with a syringe pump. The heating mantle was then removed to allow the flask to cool naturally to room temperature. Then, the reaction contents were diluted with 5 mL toluene and centrifuged at 6000 r/min for 5 min to separate the NCs. The NCs were then redispersed in toluene via sonication, precipitated by 2-propanol and methanol and recovered by centrifugation. This washing procedure was repeated twice.\n\nSurface treatment of TiO2 NCs: Prior to using the NCs as a support for the catalyst preparation, they were treated with NaOH solution [27]. Briefly, 50 mg NCs was dispersed in 5 mL NaOH aqueous solution (H2O/ethanol = 1:1) and stirred in the dark for 8 h to remove surface fluoride.\n\nSAC synthesis: The general synthesis of the Pd/TiO2 catalysts was performed by dispersing TiO2 NCs (100 mg) in 10 mL water. Then, 0.2 mL H2PdCl4 solution (5 mmol/L) was added to the dispersion under stirring. The dispersion was then subjected to UV treatment at room temperature under stirring. The UV treatments were conducted on a xenon-lamp parallel light source system (CHF-XM35-500W, Beijing Trusttech Co. Ltd.) equipped with an optical filter that only allowed the transmission of 365 nm UV. All UV treatments were performed at an operating current of 10 A. The power density of the UV light was 1.94 mW/cm2, as measured by a radiometer (FZ-A, Beijing Normal University photoelectric instrument factory). After 10-min irradiation, the light grey 0.1% Pd/TiO2 product was collected via centrifugation and subsequently washed with water."
+ }
+ ],
+ "Pd-ZnO-catalysts-with-different-origins-for-high-chemoselectivity-in-acetylene-semi-hydrogenation": [
+ {
+ "id": 498,
+ "sac_id": "Atom: Pd\nSupport Material: ZnO\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: ZnO\n\n",
+ "predicted": "Precursor synthesis: The Pd(acac)2 precursor was used as received without additional purification. When combined with ZnO, a small amount of Pd powder (99.9%, Alfa Aesar) was added to assist the reduction process.\n\nSynthesis: Pd nanoparticles were deposited on ZnO by thermal annealing in air and/or in a reducing atmosphere. For annealing in air, the samples were heated to 400 \u00b0C at a rate of 10 \u00b0C min^-1 and held at that temperature for 3 h. In the presence of a reducing agent, the samples were annealed at 10 \u00b0C min^-1 to a temperature between 500 and 600 \u00b0C and held at that temperature for 3 h. To grow Pd nanocubes, the sample was annealed at 500 \u00b0C for 3 h in the presence of Sn powder. To grow Pd nanodiscs, the sample was annealed at 600 \u00b0C for 3 h in the presence of Sn and Zn powders. The mass ratios of Sn:Zn:Pd was 1:1:0.08. After annealing, the samples were cooled down to room temperature in all cases. All thermal treatments were carried out under dynamic air or Ar protection.",
+ "ground_truth": "Precursor synthesis: Different Pd/ZnO catalysts, with nominal metal loadings of 1 wt%, 0.1 wt%, and 0.01 wt%, were synthesized by incipient wet impregnation of ZnO (BET surface area of 2.9 m\u00b2/g) with a prediluted solution of palladium nitrate. Prior to impregnation, the support was dried at 120 \u00b0C for 8 h. After impregnation at ambient temperature, the samples were dried at 120 \u00b0C for 12 h and then calcined at 400 \u00b0C for 3 h at a heating rate of 2 \u00b0C/min.\nSAC synthesis: To obtain single atom Pd sites, the 0.01%-Pd/ZnO catalyst was synthesized by lowering the content of Pd on ZnO supports. Characterization results indicate that the Pd species in the 0.01%-Pd/ZnO catalyst are single-atom distributed, forming the Pd1/ZnO SAC."
+ }
+ ],
+ "Evolution-of-Zn(II)-single-atom-catalyst-sites-during-the-pyrolysis-induced-transformation-of-ZIF-8-to-N-doped-carbons": [
+ {
+ "id": 499,
+ "sac_id": "Atom: Zn\nSupport Material: N-doped carbon\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Zn\nSupport Material: N-doped carbon\n\n",
+ "predicted": "Precursor synthesis: Typically, Zn(NO3)2\u00b76H2O (1.08 g) and 2-methylimidazole (2.48 g) were dissolved in 50 mL methanol with stirring to form solution A. Then, surfactant CTAB (0.1 g) was dispersed in 10 mL methanol by ultrasonic for 15 min. Afterwards, the above solution A was introduced into the surfactant solution with vigorous stirring for 24 h at room temperature to obtain ZIF-8. Subsequently, the as-obtained ZIF-8 was centrifuged and washed with methanol three times and then dried under vacuum at 60 \u00b0C for 12 h.\nSynthesis: The precursor was placed in a tube furnace and heated to 950 \u00b0C at a rate of 5 \u00b0C/min for 3 h under Ar gas flow. After naturally cooling down to room temperature, the black product was obtained, which was further annealed at 700 \u00b0C for 1 h under a secondary heating rate of 5 \u00b0C/min in Ar atmosphere to obtain final samples.\n|endoftext|>",
+ "ground_truth": "Precursor synthesis: Zn(NO3)2\u00b76H2O (3.36 g) was dissolved in 40 mL of methanol. This solution was then added rapidly to a solution of 2-methylimidazole (8 g) in 120 mL of methanol under constant stirring. The resulting solution was then stirred for 1 h at room temperature, after which the stirring was discontinued and the reaction mixture left at room temperature for 24 h. The ZIF-8 product was collected by centrifugation, washed three times with methanol, then finally oven dried at 60 \u00b0C for 12 h.\nSAC synthesis: ZIF-8 (1 g) was pyrolyzed under flowing N2 for 2 h at the following temperatures: 500, 600, 700, 750, 800, or 900 \u00b0C. The heating rate was 5 \u00b0C min^-1. The pyrolysis products were subsequently treated in 0.5 mol L^-1 H2SO4 at 80 \u00b0C for 8 h to remove any Zn nanoparticles, then washed repeatedly with water and ethanol. The obtained zinc-containing N-doped carbons are denoted herein as Zn-N-C-T, where T is the pyrolysis temperature in degrees Celsius."
+ }
+ ],
+ "Understanding-the-underlying-mechanism-of-improved-selectivity-in-pd1-single-atom-catalyzed-hydrogenation-reaction": [
+ {
+ "id": 500,
+ "sac_id": "Atom: Pd1\nSupport Material: Graphene\nSynthesis Method: Vapour/Gas-phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd1\nSupport Material: Graphene\n\n",
+ "predicted": "Precursor synthesis: The Pd(acac)2 precursor (0.5 mmol, 0.18 g) and BPD ligand (0.7 mmol, 0.16 g) were dissolved in a mixture of DMF (N, N-dimethylformamide, 30 mL) and ethanol (4 mL), followed by dropwise addition of graphene (0.1 g). The suspension was ultrasonicated for 1 h and vigorously stirred at 80 \u00b0C to complete the reaction. Then, the product was separated via centrifugation and washed with ethanol several times. After drying under vacuum overnight, the final sample was obtained.\n\nAnnealing process: The as-prepared samples were annealed at 900 \u00b0C for 2 h in Ar with a flow rate of 50 sccm and heating rate of 10 \u00b0C min\u22121. The products were cooled to room temperature naturally in an argon atmosphere.",
+ "ground_truth": "Precursor synthesis: Firstly, graphene nanosheets (99.5%, Chengdu Organic Chemicals Co. Ltd., Chinese Academy of Sciences) was functionalized with isolated phenol groups using the Hummers method followed by thermal reduction in an argon inert gas at 1050 \u00b0C. The details were described in our previous work [10].\nSAC synthesis: After that, Pd ALD was carried out in a viscous flow reactor (GEMSTAR-6 TM Benchtop ALD, Arradiance) at 150 \u00b0C using palladium hexafluoroacetylacetylacetate (Pd(hfac)2, Sigma Aldrich, 99.9%) and formalin (Aldrich, 37% HCHO and 15% CH3OH in aqueous solution) [17,18]. Ultrahigh purity N2 (99.999%) was used as carrier gas at a flow rate of 200 ml/min. The Pd(hfac)2 precursor container was heated to 65 \u00b0C, and the inlet manifold was held at 110 \u00b0C to avoid precursor condensation. The timing sequence was 120, 120, 60, and 120 sec for Pd (hfac)2 exposure, N2 purge, formalin exposure and N2 purge, respectively."
+ }
+ ],
+ "Typical-transition-metal-single-atom-catalysts-with-a-metal-pyridine-N-structure-for-efficient-CO2-electroreduction": [
+ {
+ "id": 501,
+ "sac_id": "Atom: Co\nSupport Material: Nitrogen-doped carbon matrix (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Nitrogen-doped carbon matrix (N-C)\n\n",
+ "predicted": "Precursor synthesis: ZIF-8 was prepared according to the previous report. [1] Typically, 2 mmol of zinc nitrate hexahydrate was dissolved in 50 mL methanol and then added into another solution containing 36 mmol of 2-methylimidazole and 40 mL methanol under ultrasound for 5 min at room temperature. The mixture was further stirred for 24 h at room temperature. After centrifugation, the solid product was collected by decantation, washed with ethanol three times, and dried at 70 \u00b0C in vacuum overnight.\n\nSynthesis of ZIF-8/Co-N-C: In a typical procedure, 1 mmol of cobalt acetate tetrahydrate was dissolved in 10 mL methanol and then added into 50 mL methanol containing 9 mmol of ZIF-8 and 1 mmol of 2-methylimidazole under ultrasound for 5 min at room temperature. The mixture was further stirred for 24 h at room temperature. After centrifugation, the solid product was collected by decantation, washed with ethanol three times, and dried at 70 \u00b0C in vacuum overnight. The obtained ZIF-8/Co-N-C precursors were heat-treated at 950 \u00b0C for 2 h with a heating rate of 5 \u00b0C min -1 under flowing Ar atmosphere to yield the final product of ZIF-8/Co-N-C.",
+ "ground_truth": "Precursor synthesis: Typically, Zn(NO3)2 \u00b7 6H2O (6.78 g) was dissolved in 250 mL of methanol, and 250 mL of methanol containing 2-methylimidazole (7.88 g) was subsequently mixed with the above solution and stirred for 6 h at 30 \u00b7 C. The precipitate was collected through centrifugation after washing with methanol several times and then dried at 80 \u00b7 C in vacuum to obtain ZIF-8. The ZIF-8 precursor was heated to 1000 \u00b7 C for 120 min in a tube furnace under an Ar atmosphere to obtain the C-ZIF. SAC synthesis: Subsequently, 5 mL of ethanol containing 0.048 mmol of Co acetate and 1,10-phenanthroline (0.15 mmol) was mixed with 120 mg of C-ZIF. The resultant solid powder was obtained by filtration after stirring for 20 h, dried at 80 \u00b7 C in vacuum and heated to 650 \u00b7 C for 120 min under an Ar atmosphere to acquire the Co-N-C materials."
+ },
+ {
+ "id": 502,
+ "sac_id": "Atom: Ni\nSupport Material: Nitrogen-doped carbon matrix (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Nitrogen-doped carbon matrix (N-C)\n\n",
+ "predicted": "Precursor synthesis: ZIF-8 was prepared according to the reported method. [1] Typically, 2 mmol of zinc nitrate hexahydrate was dissolved in 40 mL methanol solution, followed by addition of 8 mmol of 2-methylimidazole and 30 mL methanol solution. The mixture was stirred at room temperature for 6 h. Then the product was centrifuged and washed with methanol three times and dried under vacuum at 70 \u00b0C for overnight.\n\nSynthesis of N-C: A typical amount of ZIF-8 precursor (50 mg) was added into 20 mL mixed solvent of ethanol and water (v/v = 1:1), then the mixture was heated at 180 \u00b0C for 1 h in an aluminum oxide crucible. After cooling down to room temperature, the solid powder was collected by centrifugation and washed with deionized water several times and dried under vacuum at 70 \u00b0C for overnight. The as-obtained sample was placed in a quartz tube which was then heated at 900 \u00b0C under Ar flowing for 2 h with a heating rate of 5 \u00b0C/min. The product was immersed in 0.5 M H2SO4 solution at 80 \u00b0C for 6 h to remove metal species, and then washed with excessive amounts of deionized water until the filtrate became neutral. Finally, the product was dried under vacuum at 70 \u00b0C for overnight.\n\nNi NP loading on N-C: A certain amount of N-C support was dispersed into 20 mL deionized water containing 10 mg Ni(NO3)2\u00b76H2O. The suspension was stirred vigorously at 60 \u00b0C for 2 h and then dried using rotary evaporator. Subsequently, the dried powder was heated at 350 \u00b0C for 2 h in Ar flowing at a heating rate of 5 \u00b0C/min. The obtained samples were denoted as Ni NP/N-C.",
+ "ground_truth": "Precursor synthesis: Typically, Zn(NO3)2 \u00b7 6H2O (6.78 g) was dissolved in 250 mL of methanol, and 250 mL of methanol containing 2-methylimidazole (7.88 g) was subsequently mixed with the above solution and stirred for 6 h at 30 \u00b7 C. The precipitate was collected through centrifugation after washing with methanol several times and then dried at 80 \u00b7 C in vacuum to obtain ZIF-8. The ZIF-8 precursor was heated to 1000 \u00b7 C for 120 min in a tube furnace under an Ar atmosphere to obtain the C-ZIF. SAC synthesis: Subsequently, 5 mL of ethanol containing 0.048 mmol of Ni acetate and 1,10-phenanthroline (0.15 mmol) was mixed with 120 mg of C-ZIF. The resultant solid powder was obtained by filtration after stirring for 20 h, dried at 80 \u00b7 C in vacuum and heated to 650 \u00b7 C for 120 min under an Ar atmosphere to acquire the Ni-N-C materials."
+ },
+ {
+ "id": 503,
+ "sac_id": "Atom: Fe\nSupport Material: Nitrogen-doped carbon matrix (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Nitrogen-doped carbon matrix (N-C)\n\n",
+ "predicted": "Precursor synthesis: Methylated \u03b2-cyclodextrin (MeCD) was synthesized by the method reported in the literature. [36] In a typical procedure, 10 g of \u03b2-cyclodextrin and 25 mL of DMF were added into a 250 mL three-necked flask. The mixture was heated at 140 \u00b0C for 30 min under nitrogen gas flow. Then, 7.98 g of methyl iodide was slowly added to the above solution over 3 h with continuous stirring. After reaction, the resulting solution was cooled to room temperature and poured into 250 mL of ice water. The precipitate was collected by centrifugation and washed with distilled water and ethanol several times, respectively. Finally, the product was dried in vacuum at 60 \u00b0C for 24 h.\n\nFe(II)-MeCD complex synthesis: Typically, 1.0 g of MeCD was dissolved in 50 mL of distilled water. The solution was divided into two equal parts. To one half of the solution, an aqueous solution of 1 M FeCl2\u00b74H2O (0.5 mL) was added dropwise with vigorous stirring. The other half of the solution was used as a blank control without any addition. After reaction for 3 h, the resulting solutions were collected via centrifugation. The obtained solutions were then dialyzed against deionized water for 48 h to remove unreacted FeCl2\u00b74H2O. The pH value of the solutions was adjusted to 8.0 -8.5 using an aqueous solution of NaOH (1 M). The resulting solutions were then dialyzed against deionized water for another 24 h to remove excess NaOH. The solutions were finally freeze-dried to obtain powdered Fe(II)-MeCD complexes.\n\nSynthesis of porous carbon spheres: A mixture of 1.0 g of dopamine hydrochloride, 0.5 g of Fe(II)-MeCD complex, and 10 mL of Tris buffer (pH = 8.5) was stirred at room temperature for 1 h. The resulting homogeneous solution was freeze-dried to obtain a yellowish solid. The obtained solid was subsequently pyrolyzed at 800 \u00b0C for 2 h under an Ar atmosphere with a ramping rate of 5 \u00b0C min-1. The resulting black powder was etched with 1 M HCl solution for 24 h to remove residual metallic Fe particles. The final product of Fe-N-C was collected after thorough washing with distilled water and vacuum drying at 60 \u00b0C for 24 h.",
+ "ground_truth": "Precursor synthesis: Typically, Zn(NO3)2 \u00b7 6H2O (6.78 g) was dissolved in 250 mL of methanol, and 250 mL of methanol containing 2-methylimidazole (7.88 g) was subsequently mixed with the above solution and stirred for 6 h at 30 \u00b7 C. The precipitate was collected through centrifugation after washing with methanol several times and then dried at 80 \u00b7 C in vacuum to obtain ZIF-8. The ZIF-8 precursor was heated to 1000 \u00b7 C for 120 min in a tube furnace under an Ar atmosphere to obtain the C-ZIF. SAC synthesis: Subsequently, 5 mL of ethanol containing 0.048 mmol of Fe acetate and 1,10-phenanthroline (0.15 mmol) was mixed with 120 mg of C-ZIF. The resultant solid powder was obtained by filtration after stirring for 20 h, dried at 80 \u00b7 C in vacuum and heated to 650 \u00b7 C for 120 min under an Ar atmosphere to acquire the Fe-N-C materials."
+ }
+ ],
+ "Ambient-hydrogenation-of-CO2-to-methane-with-highly-efficient-and-stable-single-atom-silver-manganese-catalysts": [
+ {
+ "id": 504,
+ "sac_id": "Atom: Ag\nSupport Material: Hollandite-type Manganese Oxide Nanorods (HMO)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ag\nSupport Material: Hollandite-type Manganese Oxide Nanorods (HMO)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 1.2 g of KCl was mixed with 0.4 g of MnCl2\u00b74H2O and ground for 30 min. Then, the above mixture was transferred to a 50 mL Teflon-lined stainless steel autoclave and heated at 180 \u00b0C for 12 h. After cooling to room temperature, the product was washed with deionized water several times.\n\nSAC Synthesis: The SACs were prepared by electrostatic adsorption method. Briefly, 60 mg of as-prepared HMO nanorods were dispersed in 10 mL of deionized water under ultrasonication for 30 min. Subsequently, 100 \u03bcL of AgNO3 solution (10 mg/mL) was added dropwise into the HMO suspension under vigorous stirring for another 1 h. Finally, the product was collected by centrifugation and dried at 70 \u00b0C overnight.\n\nHeat Treatment: The Ag/HMO SACs were heat treated at different temperatures (300, 400, 500, and 600 \u00b0C) for 2 h with a heating rate of 5 \u00b0C/min under an argon atmosphere.",
+ "ground_truth": "Precursor synthesis: Hollandite type MnO2 (HMO) was prepared by putting MnSO4\u00b7H2O and KMnO4 mixed solutions into a Teflon-lined stainless steel autoclave and heating at 160\u00b0C for 24 h, and finally calcined the black slurry at 500\u00b0C in air.\nSAC synthesis: The HMO was supported by Ag (Ag/HMO) was synthesized by the reaction between [Ag(NH3)2]OH and H2O2 in the mixed solutions containing HMO. The Ag content was about 30 wt%. The single-atom silver-manganese catalyst (Ag-HMO) was prepared by calcining Ag/HMO in air at 500\u00b0C."
+ }
+ ],
+ "Reconstruction-of-pH-universal-atomic-Fesingle-bondNsingle-bondC-catalysts-towards-oxygen-reduction-reaction": [
+ {
+ "id": 505,
+ "sac_id": "Atom: Fe\nSupport Material: N-doped shattered hollow shell carbon capsules\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: N-doped shattered hollow shell carbon capsules\n\n",
+ "predicted": "Precursor synthesis: 1.5 g FeCl2\u00b74H2O, 0.8 g ZnCl2, and 3.6 g 2-methylimidazole were dissolved in 75 mL methanol (A) and 75 mL ethanol (B), respectively. The two solutions were then mixed under vigorous stirring at room temperature for 24 h to obtain a solid precipitate. The precipitate was subsequently centrifuged and washed with ethanol for three times and dried at 60 \u00b0C in a vacuum oven overnight. The powder obtained was named as FZIM-pre.\n\nSynthesis of FeN4@Zn:\n1. 100 mg FZIM-pre was placed in a porcelain boat and heated to 900 \u00b0C (5 \u00b0C min-1) for 3 h under an Ar flow with 5% NH3.\n2. After nitrogen purging, the furnace was cooled down to room temperature, the as-obtained product was collected and dispersed in 2 M HCl solution for 12 h to remove Zn-related metal.\n3. The product was then washed with deionized water until the supernatant became neutral, and dried at 60 \u00b0C in a vacuum oven overnight.",
+ "ground_truth": "Precursor synthesis: SiO2 particles was synthesized according to the as reported St\u00f6ber method. Briefly, 2.4 mL TEOS was introduced into the solution which contained with 60 mL absolute ethanol, 2.8 mL ammonia hydroxide and 20 mL deionized water by dropwise. Then, the SiO2 template was obtained after stirring, filtrating, washing, and drying. The SiO2@PANI-Fe precursors were fabricated by polymerizing of aniline with ammonium peroxydisulfate (APS) as the oxidant in the presence of SiO2 particles (80 wt%). In details, 1 g SiO2 was dispersed in 50 mL 1 M HCl by sonicating. Then, 5 mL aniline monomer was introduced into the homogeneous SiO2 suspension and named as the solution A. The solution B consists of 50 mL 1 M HCl and 0.23 g APS. The suspension slowly turning green after the solution B was dropped into solution A under ice bath. During the polymerization of aniline monomer, 10 mM FeCl3 /C1 9H2O was introduced into the mixed solution. After the reaction completed, the precursors of SiO2@PANI-Fe were obtained by filtrating, washing, and drying. SAC synthesis: The SiO2@PANI-Fe compounds were pyrolyzed at 350 \u00b0C for 2 h with a heating rate of 1 \u00b0C min\u207b\u00b9 and 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C min\u207b\u00b9 under N2 atmosphere, then the atmosphere was converted to NH3 and heated for another hour. The final product of shattered three-dimensional hollow shell Fe-N-C-NH3 was obtained after treating with HF solution. For comparison, the Fe-N-C-N2 were synthesized without the introduction of NH3 atmosphere during the pyrolysis process."
+ }
+ ],
+ "Covalent-organic-framework-supported-Zn-single-atom-catalyst-for-highly-efficient-N-formylation-of-amines-with-CO2-under-mild-conditions": [
+ {
+ "id": 506,
+ "sac_id": "Atom: Pt\nSupport Material: COF (TpPa-1)\nSynthesis Method: Solution phase\nCatalysis Type: Organic\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: COF (TpPa-1)\n\n",
+ "predicted": "Precursor synthesis: 50 mg of TpPa-1 and 2.5 g of NaCl were ground in a mortar, then transferred to a tube furnace preheated at 350 \u00b0C for 4 h under N2 flow. After cooling down to room temperature, the obtained mixture was washed with ultrapure water to remove NaCl and dried at 60 \u00b0C overnight.\n\nCO2 adsorption test: The CO2 adsorption capacity of COF (TpPa-1) was measured by using a gas sorption analyzer (Quantachrome Autosorb iQ2). Before the measurement, about 20 mg of COF (TpPa-1) sample was firstly evacuated and then exposed to CO2 gas at 1 bar. The pressure was gradually increased from 0 to 1 bar at a rate of 10 mbar min-1, and the corresponding uptake values were recorded.",
+ "ground_truth": "Precursor synthesis: A pyrex tube is charged with triformylphloroglucinol (Tp) (63 mg, 0.3 mmol), p-phenylenediamine (Pa-1) (48 mg, 0.45 mmol), 1.5 mL of mesitylene, 1.5 mL of dioxane and 0.25 mL of 6 M aqueous acetic acid. The mixture was sonicated for 10 min. The tube was then flash frozen at 77 K and degassed by three freeze-pump-thaw cycles. The tube was sealed off and then heated at 120 \u00b0C for 3 days. The product was filtered and washed with anhydrous tetrahydrofuran, acetone and hexane. The powder collected was then solvent exchanged with anhydrous tetrahydrofuran, acetone and hexane and then dried at 120 \u00b0C under vacuum for 24 h to give TpPa-1 COF.\nSAC synthesis: TpPa-1 COF (50 mg) was dispersed in 50 mL deionized water to give TpPa-1 suspension for further use. PtCl2 (73 mg, equal mole number to Nitrogen element in TpPa-1 solution) was dissolved in 50 mL deionized water. In a typical synthesis of Pt-TpPa, PtCl2 solution were added into the flask containing TpPa-1 suspension through a two-channel syringe pump at a rate of 1 mL h^-1 under magnetic stirring at room temperature. Then the product was filtered and washed with anhydrous tetrahydrofuran, acetone and hexane and then dried at 120 \u00b0C under vacuum for 12 h to give Pt-TpPa."
+ },
+ {
+ "id": 507,
+ "sac_id": "Atom: Pd\nSupport Material: COF (TpPa-1)\nSynthesis Method: Solution phase\nCatalysis Type: Organic\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: COF (TpPa-1)\n\n",
+ "predicted": "Precursor synthesis: 4,6-Dichloropyrimidin-2-amine was used as a precursor.\nCOF synthesis: The COF (TpPa-1) was prepared by using the same procedure as described for TpPa-3, except that 4,6-dichloropyrimidin-2-amine (0.05 mmol) was used as a precursor.",
+ "ground_truth": "Precursor synthesis: A pyrex tube is charged with triformylphloroglucinol (Tp) (63 mg, 0.3 mmol), p-phenylenediamine (Pa-1) (48 mg, 0.45 mmol), 1.5 mL of mesitylene, 1.5 mL of dioxane and 0.25 mL of 6 M aqueous acetic acid. The mixture was sonicated for 10 min. The tube was then flash frozen at 77 K and degassed by three freeze-pump-thaw cycles. The tube was sealed off and then heated at 120 \u00b0C for 3 days. The product was filtered and washed with anhydrous tetrahydrofuran, acetone and hexane. The powder collected was then solvent exchanged with anhydrous tetrahydrofuran, acetone and hexane and then dried at 120 \u00b0C under vacuum for 24 h to give TpPa-1 COF.\nSAC synthesis: TpPa-1 COF (50 mg) was dispersed in 50 mL deionized water to give TpPa-1 suspension for further use. PdCl2 (73 mg, equal mole number to Nitrogen element in TpPa-1 solution) was dissolved in 50 mL deionized water. In a typical synthesis of Pd-TpPa, PdCl2 solution were added into the flask containing TpPa-1 suspension through a two-channel syringe pump at a rate of 1 mL h^-1 under magnetic stirring at room temperature. Then the product was filtered and washed with anhydrous tetrahydrofuran, acetone and hexane and then dried at 120 \u00b0C under vacuum for 12 h to give Pd-TpPa."
+ },
+ {
+ "id": 508,
+ "sac_id": "Atom: Ni\nSupport Material: COF (TpPa-1)\nSynthesis Method: Solution phase\nCatalysis Type: Organic\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: COF (TpPa-1)\n\n",
+ "predicted": "Precursor synthesis: ZrOCl2\u00b78H2O (3.4 mg, 0.01 mmol), tppa (0.05 mmol), Et3N (67 \u03bcL, 0.5 mmol) and 15 mL of CH3CN were mixed in a 4-mL vial. The mixture was sonicated for 10 min until the tppa was completely dissolved. Then, the mixture was heated at 80 \u00b0C under solvothermal conditions for 48 h. The resulting white precipitate was collected by centrifugation, washed with CH3CN three times, and dried at ambient temperature under vacuum overnight to give TpPa-1 COF.\nCOF synthesis: A mixture of TpPa-1 COF (10 mg), Ni(NO3)2\u00b76H2O (0.09 mmol), Et3N (100 \u03bcL, 0.73 mmol), and 15 mL of CH3CN was transferred into a 4-mL vial. The mixture was sonicated for 10 min until the COF was completely dissolved. Then, the mixture was heated at 80 \u00b0C under solvothermal conditions for 48 h. The resulting green precipitate was collected by centrifugation, washed with CH3CN three times, and dried at ambient temperature under vacuum overnight to give TpPa-1/Ni3C COF.",
+ "ground_truth": "Precursor synthesis: A pyrex tube is charged with triformylphloroglucinol (Tp) (63 mg, 0.3 mmol), p-phenylenediamine (Pa-1) (48 mg, 0.45 mmol), 1.5 mL of mesitylene, 1.5 mL of dioxane and 0.25 mL of 6 M aqueous acetic acid. The mixture was sonicated for 10 min. The tube was then flash frozen at 77 K and degassed by three freeze-pump-thaw cycles. The tube was sealed off and then heated at 120 \u00b0C for 3 days. The product was filtered and washed with anhydrous tetrahydrofuran, acetone and hexane. The powder collected was then solvent exchanged with anhydrous tetrahydrofuran, acetone and hexane and then dried at 120 \u00b0C under vacuum for 24 h to give TpPa-1 COF.\nSAC synthesis: TpPa-1 COF (50 mg) was dispersed in 50 mL deionized water to give TpPa-1 suspension for further use. NiCl2 (73 mg, equal mole number to Nitrogen element in TpPa-1 solution) was dissolved in 50 mL deionized water. In a typical synthesis of Ni-TpPa, NiCl2 solution were added into the flask containing TpPa-1 suspension through a two-channel syringe pump at a rate of 1 mL h^-1 under magnetic stirring at room temperature. Then the product was filtered and washed with anhydrous tetrahydrofuran, acetone and hexane and then dried at 120 \u00b0C under vacuum for 12 h to give Ni-TpPa."
+ },
+ {
+ "id": 509,
+ "sac_id": "Atom: Zn\nSupport Material: COF (TpPa-1)\nSynthesis Method: Solution phase\nCatalysis Type: Organic\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Zn\nSupport Material: COF (TpPa-1)\n\n",
+ "predicted": "Precursor synthesis: A mixture of 2,6-diformylpyridine (0.35 mmol, 48 mg), TpPa-1 (0.17 mmol, 90 mg), toluene (10 mL), and DMF (2 mL) was transferred to a round bottom flask equipped with a reflux condenser. The reaction mixture was heated at 140 \u00b0C for 24 h under N2 atmosphere. After cooling to room temperature, the mixture was transferred to a separatory funnel and extracted three times with aqueous KOH solution (2.0 M, 2 \u00d7 5 mL) and brine (5 mL). Subsequently, the aqueous layer was diluted with water (10 mL) and the resulting solution was treated with MeCN (4 mL) prior to the addition of ethanol (6 mL) in the separatory funnel. The organic layer was collected and the recovery process was repeated three times with MeCN (4 mL) and ethanol (4 mL). The combined organic layers were evaporated using a rotary evaporator to yield a purple solid that was dried overnight in vacuo at ambient temperature.\nPHOSITP-1 (0.10 g, 3%) and TpPa-1 (3.33 mmol, 505 mg) were suspended in a mixture of degassed toluene/DMSO (20 mL, 9:1) and heated at 140 \u00b0C for 24 h in a round bottom flask fitted with a reflux condenser under an argon atmosphere. After cooling to room temperature, the mixture was transferred to a separatory funnel and extracted three times with aqueous KOH solution (2.0 M, 5 mL) followed by brine (5 mL). The aqueous layer was diluted with water (10 mL) and the resulting solution was treated with MeCN (4 mL) prior to the addition of ethanol (8 mL). The organic layer was collected and the recovery process was repeated three times with MeCN (4 mL) and ethanol (4 mL). The combined organic layers were evaporated using a rotary evaporator to yield a purple solid that was dried overnight in vacuo at ambient temperature.",
+ "ground_truth": "Precursor synthesis: A pyrex tube is charged with triformylphloroglucinol (Tp) (63 mg, 0.3 mmol), p-phenylenediamine (Pa-1) (48 mg, 0.45 mmol), 1.5 mL of mesitylene, 1.5 mL of dioxane and 0.25 mL of 6 M aqueous acetic acid. The mixture was sonicated for 10 min. The tube was then flash frozen at 77 K and degassed by three freeze-pump-thaw cycles. The tube was sealed off and then heated at 120 \u00b0C for 3 days. The product was filtered and washed with anhydrous tetrahydrofuran, acetone and hexane. The powder collected was then solvent exchanged with anhydrous tetrahydrofuran, acetone and hexane and then dried at 120 \u00b0C under vacuum for 24 h to give TpPa-1 COF.\nSAC synthesis: TpPa-1 COF (50 mg) was dispersed in 50 mL deionized water to give TpPa-1 suspension for further use. ZnCl2 (73 mg, equal mole number to Nitrogen element in TpPa-1 solution) was dissolved in 50 mL deionized water. In a typical synthesis of Zn-TpPa, ZnCl2 solution were added into the flask containing TpPa-1 suspension through a two-channel syringe pump at a rate of 1 mL h^-1 under magnetic stirring at room temperature. Then the product was filtered and washed with anhydrous tetrahydrofuran, acetone and hexane and then dried at 120 \u00b0C under vacuum for 12 h to give Zn-TpPa."
+ }
+ ],
+ "Probing-toluene-catalytic-removal-mechanism-over-supported-Pt-nano--and-single-atom-catalyst": [
+ {
+ "id": 510,
+ "sac_id": "Atom: Pt\nSupport Material: TiO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: TiO2\n\n",
+ "predicted": "Precursor synthesis: The Pt/TiO2 catalysts were prepared by the method of wet impregnation. Typically, 1 g of commercial TiO2 powder was dispersed in 50 mL of distilled water under stirring. Then, a suitable amount of H2PtCl6\u00b76H2O solution was added dropwise to the suspension with vigorous stirring for 3 h. After aging at room temperature for 4 h and at 80 \u00b0C overnight, the solvent was removed by rotary evaporation, and the obtained powders were dried at 60 \u00b0C overnight and calcined at 400 \u00b0C in air for 4 h.",
+ "ground_truth": "Precursor synthesis: H2PtCl6.6H2O was purchased from Sinopharm Group Chemical Reagent Co., Ltd. (Pt \u2265 37.0 %).\nSAC synthesis: The catalyst was synthesized by our molten salt method as described in our previous work (Scheme S1) (Deng et al., 2015). Certain amount of H2PtCl6 (10 mmol/L) solution was first added to a solid physical mixture containing 0.6 g NaF, 1.0 g TiO2, and 29.4 g NaNO3; the resulting wet powder was dried at 70 \u00b0C overnight in an oven; the solid was then thoroughly ground by ball milling for 15 min; finally, the powder was calcined at 300 \u00b0C for 3 h in a muffle furnace. The obtained powder was then thoroughly washed using pure ethanol and hot deionized water alternatively, to completely remove F -, Na +, NO3 -, and Cl -ions. After drying again at 70 \u00b0C overnight, the catalyst was obtained. By varying H2PtCl6 solution amount, Pt/TiO2 catalysts with various Pt loadings were readily prepared. The catalyst used in the rest of the study contained 0.2 wt% Pt; this was determined via XRF and inductively coupled plasma atomic emission spectroscopy (ICP-AES)."
+ }
+ ],
+ "Single-Ni-atom-catalyzes-aqueous-phase-electrochemical-reductive-dechlorination-reaction": [
+ {
+ "id": 511,
+ "sac_id": "Atom: Co\nSupport Material: N-doped graphene (NG)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: N-doped graphene (NG)\n\n",
+ "predicted": "Precursor synthesis: Graphite powder was filled into a 10 mm diameter stainless steel tube with a length of about 5 cm, and then the tube was heated to 2400 \u00b0C for 3 h in a tube furnace at a heating rate of 10 \u00b0C min -1 under Ar atmosphere. The obtained black powder was washed by HCl solution, water and ethanol several times to remove impurities on its surface. After drying at 60 \u00b0C overnight, NG powder was obtained.\nSAC synthesis: A certain amount of S-containing ligands (e.g., DMSO, Cysteine, Glutathione, etc.) were dissolved in ethanol (10 mL), and then the ZIF-8 nanocubes (10 mg) were dispersed into this solution. After ultrasonication for 30 min, the mixture was mixed well and then centrifuged. The obtained precipitate was dried at 60 \u00b0C overnight and ground into fine powder. Subsequently, the fine powders were placed in a quartz boat and sealed with cover glass. Then, the sample was annealed at 700 \u00b0C for 2 h at a heating rate of 2 \u00b0C min -1, and then cooled down to room temperature naturally in Ar atmosphere.",
+ "ground_truth": "Precursor synthesis: A mixture of melamine (C3H6N6) (12 g), L-alanine (C3H7NO2) (2.25 g) and cobalt (II) acetate (0.18 g) was first ground into a homogeneous precursor using zirconia ball in a nylon jar. 15 mL of ethanol mixed with 3 mL of hydrochloric acid was added; the mixture was dried in an oven at 60 \u00b0C overnight and ball milled again for 0.5 h. The fine powder mixture underwent a two-stage pyrolysis and carbonization process (first stage: from 25 to 600 \u00b0C at a ramping rate of 3 \u00b0C min-1, maintained at 600 \u00b0C for 2 h; second stage: from 600 to 900 \u00b0C at a ramping rate of 2 \u00b0C min-1, maintained at 900 \u00b0C for 1 h) in a tubular furnace (Carbolite, UK) in argon atmosphere. After cooling down to room temperature, the product (precursor of A-Co-NG) was successively leached at 80 \u00b0C in 2 M HCl for 24 h to remove metal particles and unstable species. Afterwards, the sample was heated again at 850 \u00b0C in Ar for 1 h to recover the crystallinity of carbon.\nSAC synthesis: The same method was used for the synthesis of A-Co-NG."
+ },
+ {
+ "id": 512,
+ "sac_id": "Atom: Fe\nSupport Material: N-doped graphene (NG)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: N-doped graphene (NG)\n\n",
+ "predicted": "Precursor synthesis: Melamine (C3H6N6, 50 g) was annealed at 600 \u00b0C for 4 h in a muffle furnace at a heating rate of 2 \u00b0C min-1 to obtain one-dimensional graphene oxide (GO-CF). Phthalocyanine blue (C32H16N8Cu, 1 g) and melamine (50 g) were annealed at 900 \u00b0C for 3 h in a muffle furnace at a heating rate of 2 \u00b0C min-1 to synthesize bulk G-CF.\n\nSynthesis of Fe-doped phthalocyanine/N-doped graphene (FePc/NG): A mixture of FePc (10 mg), NG (100 mg), DCDA (100 mg), and TEA (0.1 mL) was annealed at 1000 \u00b0C for 2 h in a tube furnace at a heating rate of 5 \u00b0C min-1 under an Ar atmosphere.",
+ "ground_truth": "Precursor synthesis: A mixture of melamine (C3H6N6) (12 g), L-alanine (C3H7NO2) (2.25 g) and iron (II) acetate (0.19 g) was first ground into a homogeneous precursor using zirconia ball in a nylon jar. 15 mL of ethanol mixed with 3 mL of hydrochloric acid was added; the mixture was dried in an oven at 60 \u00b0C overnight and ball milled again for 0.5 h. The fine powder mixture underwent a two-stage pyrolysis and carbonization process (first stage: from 25 to 600 \u00b0C at a ramping rate of 3 \u00b0C min-1, maintained at 600 \u00b0C for 2 h; second stage: from 600 to 900 \u00b0C at a ramping rate of 2 \u00b0C min-1, maintained at 900 \u00b0C for 1 h) in a tubular furnace (Carbolite, UK) in argon atmosphere. After cooling down to room temperature, the product (precursor of A-Fe-NG) was successively leached at 80 \u00b0C in 2 M HCl for 24 h to remove metal particles and unstable species. Afterwards, the sample was heated again at 850 \u00b0C in Ar for 1 h to recover the crystallinity of carbon.\nSAC synthesis: The same method was used for the synthesis of A-Fe-NG."
+ },
+ {
+ "id": 513,
+ "sac_id": "Atom: Ni\nSupport Material: N-doped graphene (NG)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: N-doped graphene (NG)\n\n",
+ "predicted": "Precursor synthesis: Melamine (C3H6N6, 50 g) was annealed at 600 \u00b0C for 4 h in a muffle furnace at a heating rate of 2 \u00b0C min-1 to obtain exfoliated graphite. The as-prepared exfoliated graphite was further treated with concentrated HCl (5 M, 200 mL) under reflux at 120 \u00b0C for 18 h to remove inorganic impurities. The resulting product was washed with deionized water until neutral pH and dried in a vacuum oven at 80 \u00b0C overnight, denoted as rGO.\nSynthesis of N-doped graphene (NG): The preparation process is similar to the one described for MX, except that the NiCl2\u00b76H2O precursor was replaced by NaCl.\nSynthesis of Ni-NC: The procedure is similar to the one described for the synthesis of Ni-NC/MX, except that the Ni-NC precursor was replaced by NG.",
+ "ground_truth": "Precursor synthesis: A mixture of melamine (C3H6N6) (12 g), L-alanine (C3H7NO2) (2.25 g) and nickel (II) acetate tetrahydrate (Ni(CH3COO)2\u00b74H2O) (0.25 g) was first ground into a homogeneous precursor using zirconia ball in a nylon jar. 15 mL of ethanol mixed with 3 mL of hydrochloric acid was added; the mixture was dried in an oven at 60 \u00b0C overnight and ball milled again for 0.5 h. The fine powder mixture underwent a two-stage pyrolysis and carbonization process (first stage: from 25 to 600 \u00b0C at a ramping rate of 3 \u00b0C min-1, maintained at 600 \u00b0C for 2 h; second stage: from 600 to 900 \u00b0C at a ramping rate of 2 \u00b0C min-1, maintained at 900 \u00b0C for 1 h) in a tubular furnace (Carbolite, UK) in argon atmosphere. After cooling down to room temperature, the product (precursor of A-Ni-NG) was successively leached at 80 \u00b0C in 2 M HCl for 24 h to remove metal particles and unstable species. Afterwards, the sample was heated again at 850 \u00b0C in Ar for 1 h to recover the crystallinity of carbon.\nSAC synthesis: The same method was used for the synthesis of A-Ni-NG."
+ }
+ ],
+ "Boosting-the-thermal-stability-and-catalytic-performance-by-confining-Ag-single-atom-sites-over-antimony-doped-tin-oxide-via-atom-trapping": [
+ {
+ "id": 514,
+ "sac_id": "Atom: Ag\nSupport Material: Antimony-doped tin oxide (ATO)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ag\nSupport Material: Antimony-doped tin oxide (ATO)\n\n",
+ "predicted": "Precursor synthesis: Silver nanoparticles were prepared by the polyol method. [27] In a typical procedure, 10 mL of ethylene glycol, 3 mL of deionized water, and 4.5 mL of tetramethylammonium hydroxide pentahydrate were mixed together in a three-neck flask with magnetic stirring. Then, 0.6 mmol of silver nitrate was added to the above solution under an Ar atmosphere. The temperature of the resulting solution was increased to 80 \u00b0C for 1 h after magnetic stirring for 10 min. After cooling down to room temperature, the silver nanoparticles were obtained by centrifugation and purified with ethanol. The obtained product was then dispersed in 10 mL of ethanol.\n\nATO SNPs Synthesis: The ATO SNPs were fabricated using a modified procedure reported previously. [28] Briefly, 0.2 mL of as-prepared silver nanoparticle solution was added into 10 mL of antimony acetate solution (0.05 M) and stirred for 10 min. Then, 1 mL of tannic acid solution (0.1 M) was added dropwise into the above solution under magnetic stirring. After aging for 1 h, the mixture was transferred to a hydrothermal reactor and heated at 90 \u00b0C for 12 h. Finally, the obtained ATO SNPs were collected by centrifugation and purified with ethanol.",
+ "ground_truth": "Precursor synthesis: 0.78 g of AgNO3 in 1 mL deionized water and 10 mL of anhydrous ethanol was mixed with 10 g of commercial ATO (99 %). The mixture was dried at 40 \u00b0C for 12 h. Then, the sample was reduced at 200 \u00b0C for 1 h in flowing 30 vol% H2/N2 (200 mL min -1 ).\nSAC synthesis: Ag/ATO-fresh catalyst was prepared by incipient wetness impregnation. The commercial ATO with surface area of 48 m 2 g -1 and pore size of 11 nm was purchased from Beijing Shenghe Haoyuan Technology Co., Ltd. and used as the support in this study. Briefly, 0.78 g of AgNO3 in 1 mL deionized water and 10 mL of anhydrous ethanol was mixed with 10 g of commercial ATO (99 %). The mixture was dried at 40 \u00b0C for 12 h. Then, the sample was reduced at 200 \u00b0C for 1 h in flowing 30 vol% H2/N2 (200 mL min -1 ). This catalyst was termed as Ag/ATO-fresh sample. The samples of Ag/ATO-500 \u00b0C aged and Ag/ATO-800 \u00b0C aged samples were directly calcined at 500 \u00b0C and 800 \u00b0C, respectively, for 2 h in flowing air to simulate the accelerated aging conditions."
+ }
+ ],
+ "Single-atom-Fe-in-favor-of-carbon-disulfide-(CS2)-adsorption-and-thus-the-removal-efficiency": [
+ {
+ "id": 515,
+ "sac_id": "Atom: Fe\nSupport Material: CeO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Chemical\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: CeO2\n\n",
+ "predicted": "Precursor synthesis: Iron(III) nitrate nonahydrate (Fe(NO3)3\u00b79H2O, 99.99%, Alfa Aesar) and Cerium(III) nitrate hexahydrate (Ce(NO3)3\u00b76H2O, 99.999%, Sigma-Aldrich) were used as iron and ceria precursors, respectively.\n\nSAC Synthesis: The Fe/CeO2 samples were prepared by a modified wet impregnation method. Briefly, ceria powder was dispersed in deionized water under ultrasonication for 1 h. The suspension was added dropwise to the iron nitrate solution with vigorous stirring. The resulting mixture was stirred for another 4 h at room temperature. Then, the slurry was dried at 80 \u00b0C overnight and calcined at 500 \u00b0C for 4 h with a heating rate of 5 \u00b0C min\u22121.",
+ "ground_truth": "Precursor synthesis: Not explicitly mentioned, but the synthesis of the support material (Ag2O) is similar to the synthesis of Al2O3. The support material is synthesized by dissolving AgNO3 in ethanol and adding dimethylimidazole with the molar ratio of 1/5. After stirring for 20 h, the sample is dried at 40 \u2103 in vacuo overnight.\nSAC synthesis: The single atom catalysts were prepared by the method which was similar to the PCP strategy reported by Yadong Li et al. [25,26], a cage-packaged precursor was generated by reacting dimethylimidazole with nitrate to coat the required metal precursor, and then the metal ions on carbon or other carriers are adsorbed and reduced by a pyrolysis strategy. In this paper, the metal precursor (Fe(acac)3) and support precursor (AgNO3) are added to the appropriate amount of ethanol solution to mix and dissolve. Then, the dimethylimidazole solution, which is also soluble in ethanol, is added into the mixed solution under rapid stirring. The molar ratio of Fe(acac)3/support precursor /dimethylimidazole is 1/18/90. The samples were dried at 40 \u2103 in vacuo overnight after stirring for 20 h and then calcined at 600 \u2103 for 3 h in nitrogen atmosphere. The prepared catalysts are denoted as Fe-C/Ag2O."
+ },
+ {
+ "id": 516,
+ "sac_id": "Atom: Fe\nSupport Material: ZnO\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Chemical\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: ZnO\n\n",
+ "predicted": "Precursor synthesis: Iron(III) nitrate nonahydrate (Fe(NO3)3\u00b79H2O, 99.99%, Sigma Aldrich) and Zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O, 99.99%, Sigma Aldrich) were dissolved in deionized water to prepare two separate solutions with a total volume of 100 mL. The concentrations of the iron and zinc solutions were adjusted to obtain the desired Fe/Zn molar ratio.\n\nSupport material preparation: ZnO was prepared by adding 48 g of anhydrous zinc oxide into a crucible and heating at 5 \u00b0C/min to 700 \u00b0C under flowing air for 4 h.\n\nImpregnation and calcination: The impregnation procedure was carried out by mixing the iron solution with the zinc solution while stirring vigorously. After impregnation, the mixture was dried at 100 \u00b0C overnight in air. The dried sample was then calcined at 700 \u00b0C for 4 h with a ramp rate of 5 \u00b0C/min. The calcined samples were denoted as xFe-ZnO, where x is the molar ratio of Fe/(Fe + Zn). For example, 10Fe-ZnO means that the molar ratio of Fe/(Fe + Zn) is 0.1.",
+ "ground_truth": "Precursor synthesis: Not explicitly mentioned, but the synthesis of the support material (Ag2O) is similar to the synthesis of Al2O3. The support material is synthesized by dissolving AgNO3 in ethanol and adding dimethylimidazole with the molar ratio of 1/5. After stirring for 20 h, the sample is dried at 40 \u2103 in vacuo overnight.\nSAC synthesis: The single atom catalysts were prepared by the method which was similar to the PCP strategy reported by Yadong Li et al. [25,26], a cage-packaged precursor was generated by reacting dimethylimidazole with nitrate to coat the required metal precursor, and then the metal ions on carbon or other carriers are adsorbed and reduced by a pyrolysis strategy. In this paper, the metal precursor (Fe(acac)3) and support precursor (AgNO3) are added to the appropriate amount of ethanol solution to mix and dissolve. Then, the dimethylimidazole solution, which is also soluble in ethanol, is added into the mixed solution under rapid stirring. The molar ratio of Fe(acac)3/support precursor /dimethylimidazole is 1/18/90. The samples were dried at 40 \u2103 in vacuo overnight after stirring for 20 h and then calcined at 600 \u2103 for 3 h in nitrogen atmosphere. The prepared catalysts are denoted as Fe-C/Ag2O."
+ },
+ {
+ "id": 517,
+ "sac_id": "Atom: Fe\nSupport Material: Al2O3\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Chemical\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Al2O3\n\n",
+ "predicted": "Precursor synthesis: The Fe(NO3)3\u00b79H2O precursor (99.99% purity, Aladdin) was dissolved in ethanol and vigorously stirred for 1 h.\nSynthesis: Subsequently, \u03b1-Al2O3 support (99.99% purity, Aladdin) was added to the solution and magnetically stirred overnight. After evaporation at 60 \u00b0C, the obtained powder was dried at 80 \u00b0C for 12 h and then calcined at 500 \u00b0C for 4 h under air flow. Finally, the sample was reduced in 5% H2/Ar at 300 \u00b0C for 2 h.",
+ "ground_truth": "Precursor synthesis: Not explicitly mentioned, but the synthesis of the support material (Ag2O) is similar to the synthesis of Al2O3. The support material is synthesized by dissolving AgNO3 in ethanol and adding dimethylimidazole with the molar ratio of 1/5. After stirring for 20 h, the sample is dried at 40 \u2103 in vacuo overnight.\nSAC synthesis: The single atom catalysts were prepared by the method which was similar to the PCP strategy reported by Yadong Li et al. [25,26], a cage-packaged precursor was generated by reacting dimethylimidazole with nitrate to coat the required metal precursor, and then the metal ions on carbon or other carriers are adsorbed and reduced by a pyrolysis strategy. In this paper, the metal precursor (Fe(acac)3) and support precursor (AgNO3) are added to the appropriate amount of ethanol solution to mix and dissolve. Then, the dimethylimidazole solution, which is also soluble in ethanol, is added into the mixed solution under rapid stirring. The molar ratio of Fe(acac)3/support precursor /dimethylimidazole is 1/18/90. The samples were dried at 40 \u2103 in vacuo overnight after stirring for 20 h and then calcined at 600 \u2103 for 3 h in nitrogen atmosphere. The prepared catalysts are denoted as Fe-C/Ag2O."
+ },
+ {
+ "id": 518,
+ "sac_id": "Atom: Fe\nSupport Material: Ag2O\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Chemical\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Ag2O\n\n",
+ "predicted": "Precursor synthesis: 0.15 g of FeCl3 was dissolved in 4 mL of ethanol, followed by the addition of 10 mL of DI water and stirring for 6 h at room temperature. The product was collected via centrifugation and further purified by repeated washing with ethanol and DI water.\nSAC synthesis: 10 mg of Fe3+ precursors were dispersed into a mixed solution containing 8 mL of ethanol and 2 mL of DI water, followed by the addition of 2 mL of NaBH4 (10 mg/mL) solution and stirring for 6 h at room temperature. The product was collected via centrifugation and further purified by repeated washing with ethanol and DI water.",
+ "ground_truth": "Precursor synthesis: Not explicitly mentioned, but the synthesis of the support material (Ag2O) is similar to the synthesis of Al2O3. The support material is synthesized by dissolving AgNO3 in ethanol and adding dimethylimidazole with the molar ratio of 1/5. After stirring for 20 h, the sample is dried at 40 \u2103 in vacuo overnight.\nSAC synthesis: The single atom catalysts were prepared by the method which was similar to the PCP strategy reported by Yadong Li et al. [25,26], a cage-packaged precursor was generated by reacting dimethylimidazole with nitrate to coat the required metal precursor, and then the metal ions on carbon or other carriers are adsorbed and reduced by a pyrolysis strategy. In this paper, the metal precursor (Fe(acac)3) and support precursor (AgNO3) are added to the appropriate amount of ethanol solution to mix and dissolve. Then, the dimethylimidazole solution, which is also soluble in ethanol, is added into the mixed solution under rapid stirring. The molar ratio of Fe(acac)3/support precursor /dimethylimidazole is 1/18/90. The samples were dried at 40 \u2103 in vacuo overnight after stirring for 20 h and then calcined at 600 \u2103 for 3 h in nitrogen atmosphere. The prepared catalysts are denoted as Fe-C/Ag2O."
+ }
+ ],
+ "Bi-functional-electrocatalysis-through-synergetic-coupling-strategy-of-atomically-dispersed-Fe-and-Co-active-sites-anchored-on-3D-nitrogen-doped-carbon-sheets-for-Zn-air-battery": [
+ {
+ "id": 519,
+ "sac_id": "Atom: Fe\nSupport Material: 3D nitrogen-doped carbon sheets (NCNs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: 3D nitrogen-doped carbon sheets (NCNs)\n\n",
+ "predicted": "Precursor synthesis: Typically, pyrrole and FeCl2\u00b74H2O with a molar ratio of 10:1 were dissolved in 5 mL deionized water to form a clear red solution. After stirring at room temperature for 30 min, the mixture was frozen by liquid nitrogen and irradiated with a Xe flash lamp (purchased from Beijing Mengguang Technology Co., Ltd.) for 1 s. The repeated freeze-thaw-irradiation cycle was conducted until all water was evaporated. The solid product was then dried at 60 \u00b0C for 12 h.\nSAC synthesis: A certain amount of Fe/N/C powder was transferred into a quartz boat and placed in a horizontal tube furnace. Firstly, it was annealed at 900 \u00b0C for 2 h under Ar flow (100 sccm) to form Fe-containing 1D N-C nanotubes array. Subsequently, the sample was secondarily heated to 800 \u00b0C for 120 min under Ar/NH3 (10/10 sccm) to yield Fe-containing 3D NCNs.",
+ "ground_truth": "Precursor synthesis: SiO2 nanospheres with an average diameter of 150 nm were prepared by the modified st\u00f6ber method. In a typical synthesis, 150 mL of EtOH, 60 mL deionized water and 5 mL of aqueous ammonia were firstly mixed in a beaker with magnetic stirring. Then, 5 mL TEOS was dropwise added in the mixture and left for 12 h with vigorous stirring. The colloidal solution was collected by high-speed centrifugation with washing by deionized water and methanol for several times. The obtained SiO2 nanospheres were dispersed in 50 mL of methanol for use. 10 mL of SiO2 spheres suspension, 1 mL of 20 mM FeCl3 /C1 6H2O solution, and 0.98 mM Zn(NO3)2 /C1 6H2O were firstly added into 35 mL of methanol to form a mix solution with string. Then, 0.5 mL NH3 /C1 H2O was dropwise added in the above solution. After two hours of stirring, the solution was turn to brow, suggesting the formation of hydroxide on the surface of SiO2 spheres with a thin layer. 15 mL of methanol containing 4 mM dimethylimidazole (2-MIM) was added into the above mixture. The solution was continuously stirred at ambient temperature, and 2-MIM was reacted with hydroxide with a slower reaction rate. After 3 h, the final SiO2@Fe-ZIF-8/67 precursor was prepared. SAC synthesis: The SiO2@Fe-ZIF-8/67 precursor was pyrolyzed at 800 /C176 C for 2 h with a heating rate of 3 /C176 C min /C0 1 under 5% H2-95% Ar atmosphere. After the furnace cooled down to room temperature naturally, the obtained product was leached in 10% HF for 12 h to get rid of silica template. Then, the final A-Fe@NCNs was acquired by washing with deionized water and heating at 80 /C176 C in a vacuum."
+ },
+ {
+ "id": 520,
+ "sac_id": "Atom: FeCo\nSupport Material: 3D nitrogen-doped carbon sheets (NCNs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: FeCo\nSupport Material: 3D nitrogen-doped carbon sheets (NCNs)\n\n",
+ "predicted": "Precursor synthesis: The FeCo-MOFs were prepared using the same method as that of FeCo-ZIFs, except for no addition of melamine. 100 mg of FeCo-MOFs powder was placed in a porcelain boat and heated at 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C min -1 under flowing Ar atmosphere. After natural cooling to room temperature, the obtained black powder was washed with 1 M HCl solution, deionized water and ethanol for several times until pH is neutral, followed by drying at 60 \u00b0C for 12 h. After annealing, FeCo-MOFs were converted into 3D nitrogen-doped carbon sheets supported FeCo nanoparticles, denoted as NCNs.",
+ "ground_truth": "Precursor synthesis: SiO2 nanospheres with an average diameter of 150 nm were prepared by the modified st\u00f6ber method. In a typical synthesis, 150 mL of EtOH, 60 mL deionized water and 5 mL of aqueous ammonia were firstly mixed in a beaker with magnetic stirring. Then, 5 mL TEOS was dropwise added in the mixture and left for 12 h with vigorous stirring. The colloidal solution was collected by high-speed centrifugation with washing by deionized water and methanol for several times. The obtained SiO2 nanospheres were dispersed in 50 mL of methanol for use. 10 mL of SiO2 spheres suspension, 1 mL of 20 mM FeCl3 /C1 6H2O solution, 1 mL of 20 mM Co(NO3)2 /C1 6H2O solution, and 0.98 mM Zn(NO3)2 /C1 6H2O were firstly added into 35 mL of methanol to form a mix solution with string. Then, 0.5 mL NH3 /C1 H2O was dropwise added in the above solution. After two hours of stirring, the solution was turn to brow, suggesting the formation of hydroxide on the surface of SiO2 spheres with a thin layer. 15 mL of methanol containing 4 mM dimethylimidazole (2-MIM) was added into the above mixture. The solution was continuously stirred at ambient temperature, and 2-MIM was reacted with hydroxide with a slower reaction rate. After 3 h, the final SiO2@FeCo-ZIF-8/67 precursor was prepared. SAC synthesis: The SiO2@FeCo-ZIF-8/67 precursor was pyrolyzed at 800 /C176 C for 2 h with a heating rate of 3 /C176 C min /C0 1 under 5% H2-95% Ar atmosphere. After the furnace cooled down to room temperature naturally, the obtained product was leached in 10% HF for 12 h to get rid of silica template. Then, the final A-FeCo@NCNs was acquired by washing with deionized water and heating at 80 /C176 C in a vacuum."
+ },
+ {
+ "id": 521,
+ "sac_id": "Atom: Co\nSupport Material: 3D nitrogen-doped carbon sheets (NCNs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: 3D nitrogen-doped carbon sheets (NCNs)\n\n",
+ "predicted": "Precursor synthesis: Zn(NO3)2\u00b76H2O (1.069 g) was dissolved in N, N-Dimethylformamide (DMF) and methanol solution (10 mL, 1:1). A certain amount of cobalt acetylacetonate (Co(acac)3) was added to this mixture under stirring for 5 min. Then, 2-methylimidazole (1.274 g) was dissolved in a DMF and methanol solution (10 mL, 1:1). The Co(acac)3 mixed precursor was slowly added into the 2-methylimidazole solution under magnetic stirring at room temperature for 24 h. The as-obtained products were centrifuged, washed with ethanol several times, and dried at 60 \u00b0C for 12 h. The obtained Co-MOF was placed in a tube furnace and heated to 900 \u00b0C with a heating rate of 5 \u00b0C min-1 and kept for 3 h under an Ar atmosphere. After cooling to room temperature naturally, the product was etched by diluted HCl for 24 h to remove metal particles. Then, the sample was washed with deionized water several times and dried at 60 \u00b0C for 12 h.\nSAC synthesis: Co-MOF (10 mg) and sulfur powder (10 mg) were mixed evenly by grinding. Then, the mixture was placed in a quartz boat, which was transferred into a tube furnace and heated to 350 \u00b0C with a heating rate of 5 \u00b0C min-1 and kept for 1 h under an Ar atmosphere. After cooling to room temperature naturally, the sample was washed with methanol several times and dried at 60 \u00b0C for 12 h.",
+ "ground_truth": "Precursor synthesis: SiO2 nanospheres with an average diameter of 150 nm were prepared by the modified st\u00f6ber method. In a typical synthesis, 150 mL of EtOH, 60 mL deionized water and 5 mL of aqueous ammonia were firstly mixed in a beaker with magnetic stirring. Then, 5 mL TEOS was dropwise added in the mixture and left for 12 h with vigorous stirring. The colloidal solution was collected by high-speed centrifugation with washing by deionized water and methanol for several times. The obtained SiO2 nanospheres were dispersed in 50 mL of methanol for use. 10 mL of SiO2 spheres suspension, 1 mL of 20 mM Co(NO3)2 /C1 6H2O solution, and 0.98 mM Zn(NO3)2 /C1 6H2O were firstly added into 35 mL of methanol to form a mix solution with string. Then, 0.5 mL NH3 /C1 H2O was dropwise added in the above solution. After two hours of stirring, the solution was turn to brow, suggesting the formation of hydroxide on the surface of SiO2 spheres with a thin layer. 15 mL of methanol containing 4 mM dimethylimidazole (2-MIM) was added into the above mixture. The solution was continuously stirred at ambient temperature, and 2-MIM was reacted with hydroxide with a slower reaction rate. After 3 h, the final SiO2@Co-ZIF-8/67 precursor was prepared. SAC synthesis: The SiO2@Co-ZIF-8/67 precursor was pyrolyzed at 800 /C176 C for 2 h with a heating rate of 3 /C176 C min /C0 1 under 5% H2-95% Ar atmosphere. After the furnace cooled down to room temperature naturally, the obtained product was leached in 10% HF for 12 h to get rid of silica template. Then, the final A-Co@NCNs was acquired by washing with deionized water and heating at 80 /C176 C in a vacuum."
+ }
+ ],
+ "Single-atom-Ni-decorated,-nitrogen-doped-carbon-layers-for-efficient-electrocatalytic-CO2-reduction-reaction": [
+ {
+ "id": 522,
+ "sac_id": "Atom: Ni\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 0.25 g of nickel nitrate was dissolved in 10 mL of DI water, and then 10 mL of folic acid solution (1 mg/mL) was added to the above solution under stirring. After continuous stirring for 3 h, the resulting suspension was transferred to a Teflon autoclave reactor for hydrothermal treatment at 180 \u00b0C for 4 h. After cooling down to room temperature, the black product was collected by centrifugation and dried in an oven overnight. The obtained precursor was named as Ni-FA.\nSynthesis of Ni@NCS: In a typical procedure, 60 mg of Ni-FA precursor was placed in a porcelain boat, which was heated from room temperature to 700 \u00b0C with a heating rate of 5 \u00b0C min -1 and kept for 2 h under Ar atmosphere. Then, the sample was leached in 2 M HCl solution at 80 \u00b0C for 12 h to remove metal particles. Finally, the sample was washed with DI water several times and dried in a vacuum oven. The obtained sample was named as Ni@NCS.",
+ "ground_truth": "Precursor synthesis: Typically, 900.0 mg of 2-methylimidazole was added to 60 mL of deionized water, producing solution A. After that, 300.0 mg of Zn(NO3)2\u00b76H2O and 29.3 mg of Ni(NO3)2\u00b76H2O were added to 60 mL of deionized water, and the resulting solution was then added to solution A under continuous stirring (600 rpm) for 12 h. Finally, Zn1Ni0.1-ZIF layers were obtained after washing and drying treatments.\nSAC synthesis: The Zn1Ni0.1-ZIF layers were then annealed at 1000 \u00b0C for 3 h at a heating rate of 10 \u00b0C min -1 under a flow of Ar/H2 (v/v = 9:1) gas mixture. Finally, the black product (SA-Ni@NC) was collected after cooling to room temperature."
+ },
+ {
+ "id": 523,
+ "sac_id": "Atom: Co\nSupport Material: Nitrogen-doped carbon (NC)\nSynthesis Method: High temperature\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Nitrogen-doped carbon (NC)\n\n",
+ "predicted": "Precursor synthesis: 0.25 g of cobalt nitrate was dissolved in 10 mL of water, and then mixed with 1.8 g of urea and 0.45 g of citric acid under stirring.\nSAC synthesis: The synthesis procedure of SAC was the same as that of SAC-Co except that no cobalt nitrate was added.",
+ "ground_truth": "Precursor synthesis: Typically, 900.0 mg of 2-methylimidazole was added to 60 mL of deionized water, producing solution A. After that, 300.0 mg of Zn(NO3)2\u00b76H2O and 29.3 mg of Co(NO3)2\u00b76H2O were added to 60 mL of deionized water, and the resulting solution was then added to solution A under continuous stirring (600 rpm) for 12 h. Finally, Zn1Co0.1-ZIF layers were obtained after washing and drying treatments.\nSAC synthesis: The as-prepared Zn1Co0.1-ZIF layers were then annealed at 1000 \u00b0C for 3 h at a heating rate of 10 \u00b0C min -1 under a flow of Ar/H2 (v/v = 9:1) gas mixture. Finally, the black product (SA-Co@NC) was collected after cooling to room temperature."
+ }
+ ],
+ "A-template-free-method-to-synthesis-high-density-iron-single-atoms-anchored-on-carbon-nanotubes-for-high-temperature-polymer-electrolyte-membrane-fuel-cells": [
+ {
+ "id": 524,
+ "sac_id": "Atom: Fe\nSupport Material: Carbon Nanotubes (CNTs)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Carbon Nanotubes (CNTs)\n\n",
+ "predicted": "Precursor synthesis: Iron (II) acetate tetrahydrate and 1,10-phenanthroline were used as iron and ligand precursors, respectively.\n\nSynthesis: In a typical experiment, 20 mg of CNTs was dispersed in 5 mL ethanol by sonication for 30 min, followed by adding 480 \u03bcL ethanol solution containing 6 mg iron acetate tetrahydrate and 720 \u03bcL ethanol solution containing 9 mg 1,10-phenanthroline, respectively. After stirring for 1 h, the mixture was dried at 60 \u00b0C overnight. Then the obtained powder was annealed under Ar atmosphere at 800 \u00b0C for 2 h with a heating rate of 5 \u00b0C/min. The product was treated with hydrochloric acid (Mackey) for 12 h at 80 \u00b0C to remove the iron oxides. Finally, the samples were washed with water and ethanol several times and dried at 60 \u00b0C overnight. All reagents were purchased from Aladdin without further purification.\n\nCharacterization: XRD patterns were recorded on a Bruker D8 Advanced X-ray diffractometer using Cu K\u03b1 radiation. SEM images were taken on a Hitachi S-4800 field emission scanning electron microscope. TEM images were collected on a JEOL JEM-2100F transmission electron microscope operating at 200 kV. Raman spectra were measured using a Renishaw inVia Raman spectrometer with a laser wavelength of 532 nm. XAS measurements including XANES and EXAFS were performed at the BL14B1 beamline of Shanghai Synchrotron Radiation Facility.",
+ "ground_truth": "Precursor synthesis: CNTs (0.2 g) were dispersed in 200 mL HNO3 (68%, Alfa Aesar) by ultrasonication, followed by refluxed at 160 \u00b7 C for 12 h before being centrifuged at 5000 rpm. The yield solid was washed with DI water three times and denoted as O-CNTs.\nSAC synthesis: O-CNTs (0.1 g) were homogenously mixed with hemin porcine (HP, C34H32ClFeN4O4, Sigma-Aldrich, 0.1 g) and dicyandiamide (C2H4N4, Sigma Aldrich, DICY, 10 g) through grinding. The mixture was pyrolyzed sequentially at 350 \u00b7 C (3 h) and 650 \u00b7 C (3 h) before being heated at 900 \u00b7 C for 1 h under Ar flow (50 sccm). The as-prepared catalyst was denoted as FeSA/HP."
+ }
+ ],
+ "Atomically-dispersed-Pt-(II)-on-WO3-for-highly-selective-sensing-and-catalytic-oxidation-of-triethylamine": [
+ {
+ "id": 525,
+ "sac_id": "Atom: Pt\nSupport Material: WO3 (three-dimensionally ordered macroporous WO3)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: WO3 (three-dimensionally ordered macroporous WO3)\n\n",
+ "predicted": "Precursor synthesis: In a typical procedure, 1 mmol of Na2WO4\u00b72H2O and 0.5 mmol of H3BO3 were dissolved in 6 mL of deionized water under magnetic stirring for 10 min. Then, 2 mL of HCl (37 wt.%) solution was added into the above solution followed by stirring for another 10 min. After that, the solution turned to be clear with some white precipitates, which indicated the successful dissolution of Na2WO4\u00b72H2O and H3BO3. Subsequently, 2.8 g of TEOS was added into the homogeneous solution and stirred for 30 min. Finally, the mixed solution was transferred to a Teflon-lined autoclave and heated at 160 \u00b0C for 24 h. After cooling naturally, the product was separated by centrifugation and washed with ethanol and distilled water several times before drying at 60 \u00b0C overnight.\n\nSynthesis of B-doped WO3 nanosheets: The B-doped WO3 nanosheets were prepared using the same procedure as that for BO-WO3 nanosheets except without adding H3BO3.\n\nB-doped WO3 nanosheets to WO3 (BO-WO3/WO3) composites: The as-prepared B-doped WO3 nanosheets were dispersed in deionized water under sonication for 10 min. Then, 10% Pt seed solution was added to the above suspension and stirred for 2 h. After that, the mixture was transferred to an autoclave and heated at 160 \u00b0C for 12 h. Finally, the obtained samples were separated by centrifugation and washed with ethanol and distilled water several times before drying at 60 \u00b0C overnight.\n\nPt loading on BO-WO3/WO3 composites: The Pt loading on BO-WO3/WO3 composites was controlled by adjusting the volume of the Pt seed solution.\n\nSpherical Pt-PDA@BO-WO3/WO3 nanocomposites: The spherical Pt-PDA@BO-WO3/WO3 nanocomposites were fabricated by electrostatic adsorption of polydiacetylene (PDA). First, 10 mg of PDA was dispersed in 10 mL of Tris buffer solution (pH = 9) under sonication for 10 min. Then, 10 mg of Pt-loading BO-WO3/WO3 composites was added to the above PDA solution and stirred for 2 h. Finally, the obtained samples were frozen and dried at -20 \u00b0C overnight.\n\nElectropolymerization of PDA on Pt-loading BO-WO3/WO3 composites: The electropolymerization of PDA on Pt-loading BO-WO3/WO3 composites was carried out using cyclic voltammetry (CV) measurements in N2-purged 0.1 mM ferrocene methanol solution. The CV process was performed from 0.2 to -0.8 V vs. RHE with a scan rate of 50 mV s-1 for 10 cycles.\n\nFormation of spherical Pt-PDA@BO-WO3/WO3 nanocomposites: The formation of spherical Pt-PDA@BO-WO3/WO3 nanocomposites was achieved through the electrostatic adsorption of PDA onto Pt-loading BO-WO3/WO3 composites.\n\nPt nanoparticles loading control via B-doping: The B-doping of WO3 could effectively prevent the aggregation of Pt nanoparticles during the hydrothermal treatment.",
+ "ground_truth": "Precursor synthesis: 3DOM WO3 were prepared via a modified colloidal crystal template method [54,55]. The templates were ordered PMMA microspheres (330 \u00b1 3 nm) and their scanning electron microscopy (SEM) image is shown in Fig. S1. The typical preparation process for 3DOM WO3 was as follows: 3.37 g (NH4)6W7O14\u00b75H2O was added to a mixed solution of methanol and deionized water (3 mL each), and then stirred at room temperature for 30 min. Subsequently, a certain amount of citric acid was added (the molar ratio to W was 1.25:1) to the solution and continue to stir for 1 h to obtain a precursor solution. 1.25 g PMMA templates were added to the precursor solution, and immersed for 4 h at room temperature, and then a white intermediate product was obtained after vacuum filtration. The above product was dried at room temperature, and then the powder was placed in a ceramic boat, calcined in a tube furnace at 475 \u00b0C for 3 h with an air flow rate of 100 mL/min (heating rate 1 \u00b0C/min). The templates were removed and then cooled to room temperature to obtain yellow WO3 powders.\n\nSAC synthesis: Pt loaded 3DOM WO3 (Pt/WO3) were prepared by a reduction method using tetraammine platinum (II) nitrate as a precursor with ethylene glycol and methanol as solvents. In a typical synthesis procedure of Pt loaded 3DOM WO3, 0.20 g yellow WO3 powders were added in 40 mL ethylene glycol with stirring for 15 min and then an appropriate amount of tetra ammine platinum (II) nitrate solution was added with stirring for 30 min. Subsequently, a certain amount of 100 mM NaBH4 solution (Pt/NaBH4 molar ratio of 1:10) was quickly added and the mixture was stirred for another 30 min. After vacuum filtration, the powders were placed in a vacuum oven at 60 \u00b0C. The prepared sample with atomically dispersed Pt (II) was named as SA-Pt/ WO3. We also use methanol to replace ethylene glycol as the solvent and the obtained sample with Pt nanoclusters was named as NC-Pt/ WO3."
+ }
+ ],
+ "Low-temperature-surface-oxygen-activation-in-crystalline-MnO2-triggered-by-lattice-confined-Pd-single-atoms": [
+ {
+ "id": 526,
+ "sac_id": "Atom: Pd\nSupport Material: MnO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: MnO2\n\n",
+ "predicted": "Precursor synthesis: The Pd/MnO2 catalysts were prepared by a wet impregnation method. In a typical synthesis, 1 g of commercial MnO2 was dispersed in 50 mL of ultrapure water and sonicated for 30 min to obtain a homogeneous suspension. Then, the suspension was stirred with a certain amount of PdCl2 solution (Pd content = 4.6 wt.%) at 80 \u00b0C for 4 h under reflux. After evaporating the water from the obtained solution by a rotary evaporator, the PdCl2 powder was dried at 70 \u00b0C overnight and then calcined at 300 \u00b0C for 2 h in air to give Pd/MnO2 catalysts.",
+ "ground_truth": "Precursor synthesis: MnSO4\u00b7H2O, (NH4)2S2O8, Pd(NO3)2\u00b72H2O, and (NH4)2SO4 precursors were mixed in an aqueous solution. The solution was stirred until it became transparent, then transferred into a Teflon-lined stainless-steel autoclave and heated at 140\u00b0C for 12 h of reaction in the oven, finally allowed to cool down to room temperature. The collected black precipitate was filtered, washed several times with water, and dried at 120\u00b0C for 12 h. The undoped \u03b1-MnO2 nanowire was prepared under identical conditions except for the addition of Pd(NO3)2\u00b72H2O.\nSAC synthesis: The Pd/MnO2 catalyst with different loadings was prepared via mixing MnSO4\u00b7H2O, (NH4)2S2O8, Pd(NO3)2\u00b72H2O, and (NH4)2SO4 precursors in an aqueous solution. The solution was stirred until it became transparent, then transferred into a Teflon-lined stainless-steel autoclave and heated at 140\u00b0C for 12 h of reaction in the oven, finally allowed to cool down to room temperature. The collected black precipitate was filtered, washed several times with water, and dried at 120\u00b0C for 12 h."
+ }
+ ],
+ "Single-atom-platinum-confined-by-the-interlayer-nanospace-of-carbon-nitride-for-efficient-photocatalytic-hydrogen-evolution": [
+ {
+ "id": 527,
+ "sac_id": "Atom: Pt\nSupport Material: Graphitic carbon nitride (g-C3N4)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Graphitic carbon nitride (g-C3N4)\n\n",
+ "predicted": "Precursor synthesis: The g-C3N4 was prepared by the thermal polymerization of dicyandiamide at 550 \u00b0C for 2 h with a heating rate of 3 \u00b0C min -1 under flowing Ar atmosphere. Prior to use, the g-C3N4 was grinded and sieved to a fine powder (< 75 \u03bcm).\n\ns-C3N4 preparation: s-C3N4 was prepared by calcining g-C3N4 in flowing ammonia (flow rate: 50 mL min -1 ) at 550 \u00b0C for 2 h with a heating rate of 5 \u00b0C min -1.\n\nPt nanoparticle loading: Pt nanoparticles were loaded onto s-C3N4 by wet impregnation method. In a typical procedure, 100 mg s-C3N4 was dispersed in 50 mL deionized water containing 1, 2, 4, 6, 8, and 10 \u03bcL of H2PtCl6 solution (1 mol L -1 ). After stirring overnight at room temperature, the products were collected by centrifugation, washed with water and ethanol several times, and dried at 80 \u00b0C for 12 h. Samples with different Pt loadings were denoted as s-C3N4-Pt x, where x represents the volume of H2PtCl6 solution used for loading (\u03bcL).\n\nSodium borohydride (NaBH4) treatment: To further reduce the Pt particles on s-C3N4, the as-prepared s-C3N4-Pt x samples were treated with NaBH4 solution. Typically, 50 mg sample was added into 50 mL ethanol containing 1 mL 0.01 mol L -1 NaBH4 solution, and stirred for 2 h at room temperature. Then, the product was collected by centrifugation, washed with ethanol and vacuum dried at 80 \u00b0C for 12 h. Samples treated with NaBH4 were denoted as s-C3N4-Pt x -NB.",
+ "ground_truth": "Precursor synthesis: Pristine graphitic carbon nitride (g-C3N4) was prepared by the direct calcinations of melamine in a muffle furnace. 10 g of melamine was loaded in a crucible and heated to 550 \u00b0C at a rate of 10 \u00b0C/min, after holding at this temperature for 4 h the sample was allowed to cool down to room temperature. The final yellow powder was fine ground and collected for further use.\n\nSAC synthesis: The single atom Pt confined materials were achieved by using a facile ion exchange strategy. In detail, 100 mg of g-C3N4-K was firstly dispersed into 100 mL of deionized water and stirring for 20 min, then a fixed amount of Pt(NH3)4Cl2 solution was added into the suspension with vigorous stirring. To ensure the adequate ionic exchange procedure, the system was kept under continuous stirring for one day. When the Pt concentration (tested by ICP) in the solution was almost unchanged, the ion exchange process is thought to be finished. Note, to avoid the possible reduction of Pt species, the system was covered by tin foil during the experimental procedure. The ion exchanged suspension was then filtered and washed with deionized water for several times, followed by drying in a vacuum oven overnight. The as-obtained powder was then loaded in a porcelain boat and heated in a horizontal tube under Ar condition. After cooling to room temperature, the final powder was collected and defined as SA-Pt/g-C3N4. Samples with different Pt loading content of 3.4 wt%, 5.5 wt%, 8.7 wt% and 10.4 wt% were fabricated by altering the adding amount of Pt(NH3)4Cl2 solution."
+ }
+ ],
+ "Low-temperature-strategy-toward-Ni-NC@Ni-core-shell-nanostructure-with-Single-Ni-sites-for-efficient-CO2-electroreduction": [
+ {
+ "id": 528,
+ "sac_id": "Atom: Ni\nSupport Material: Carbon (C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Carbon (C)\n\n",
+ "predicted": "Precursor synthesis: 0.289 g nickel nitrate and 0.316 g phenanthroline were dissolved in 5 mL ethanol with continuous stirring for 3 h at room temperature.\nS synthesis: 1 g sucrose was heated at 120 \u00b0C for 4 h to remove absorbed water. 2.5 g of dried sucrose was placed in a crucible and continuously heated under Ar gas flow at the rate of 5 \u00b0C/min from room temperature to 700\u00b0C and kept for 1 h. The obtained black solid was ground into powder and treated with 0.5 m H2SO4 solution for 24 h. Subsequently, the product was washed with deionized water until the pH reached neutral and dried at 80 \u00b0C overnight. 0.25 g sucrose powder and 0.25 g as-synthesized carbon black were mixed by ball milling for 2 h before use.\nB synthesis: 0.25 g sucrose powder and 0.25 g carbon black were annealed in a tube furnace at 1000 \u00b0C for 2 h under Ar gas flow at the rate of 5 \u00b0C/min from 25 \u00b0C. The obtained black solid was ground into powder and treated with 0.5 m H2SO4 solution for 24 h. After washing with deionized water and drying at 80 \u00b0C, the final B sample was obtained.\nB + N synthesis: 0.25 g sucrose powder, 0.25 g carbon black, and 0.05 g nickel nitrate were mixed by ball milling for 2 h before annealing. The rest of the procedures are the same as those for the synthesis of B.\nN synthesis: 0.25 g sucrose powder and 0.25 g carbon black were mixed by ball milling for 2 h before annealing. The rest of the procedures are the same as those for the synthesis of B.",
+ "ground_truth": "Precursor synthesis: The preparation process of NiO/CP was the same as that of the powder sample except for putting a 0.5 \u00d7 2 cm^2 carbon fiber paper into the autoclave before the hydrothermal reaction. The mass loading of NiO on CP was calculated to be 1.5 mg cm^-2.\nSAC synthesis: Synthesis of Ni-NC@Ni grown on CP was the same as that of the powder sample except for using NiO/CP as the precursor."
+ },
+ {
+ "id": 529,
+ "sac_id": "Atom: Ni\nSupport Material: Carbon fiber paper (CP)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Carbon fiber paper (CP)\n\n",
+ "predicted": "Precursor synthesis: In detail, 10 mg of NiCl2\u00b76H2O and 40 mg of polyvinylpyrrolidone (PVP, Mw = 58 000) were dispersed into a mixed solution containing 7.5 mL of ethylene glycol and 2.5 mL of DI water. After vigorous stirring for about 30 min, the black suspension was transferred to a Teflon-lined autoclave and heated at 180 \u00b0C for 1 h. After cooling down to room temperature, the black product was collected by centrifugation and washed with DI water and ethanol three times. Briefly, 10 mg of NiCl2\u00b76H2O and 40 mg of PVP were dissolved into a mixed solution containing 2.5 mL of ethylene glycol and 2.5 mL of DI water. Then the above procedure was repeated. Finally, NiP particles were obtained.\nSynthesis: For the preparation of NiP@Ni-NCMF, a piece of CP was immersed into 5 mL of ethanol suspension of NiP particles with gentle shaking overnight. Then, the dried CF was placed in the center of a homemade holder, which was loaded into a focused microwave system (MWM-2000S, Nanjing Kebo Electronic Technology Co., Ltd.) for microwave treatment. The power and pressure are set as 900 W and 0.1 MPa, respectively. The heating time is 1 s. The morphology of the resulting electrode is shown in Fig. S1a. A piece of CF was immersed into 5 mL of ethanol suspension of NiP particles with gentle shaking overnight. Then, the wetted CF was placed in the center of a homemade holder, which was loaded into a focused microwave system (MWM-2000S, Nanjing Kebo Electronic Technology Co., Ltd.) for microwave treatment. The power and pressure are set as 900 W and 0.1 MPa, respectively. The heating time is 1 s. The resulting sample is denoted as NiP-CF. The NiP-CF was immersed into 10 mL of precursor solution containing 0.75 mM Ni(NO3)2\u00b76H2O, 0.75 mM Co(NO3)2\u00b76H2O, 0.75 mM Mn(CH3COO)2, 1.5 mM 4,4'-bipyridine, and 0.075 mM NiCl2\u00b76H2O, followed by 10 min of sonication. Subsequently, the above mixture was heated at 60 \u00b0C for 10 h under Ar flow. Finally, the electrodeposited material on the surface of CF was collected and dried in a vacuum oven overnight. The resulting sample is denoted as NiP-CF/NCM.\n\nThe synthesis of NiP-CF/NCM consisted of several key steps. First, a piece of carbon fiber (CF) was immersed into 5 mL of ethanol suspension of NiP particles with gentle shaking overnight. This step ensured that the NiP particles were evenly distributed and adhered to the surface of the CF.\n\nNext, the wetted CF was placed in the center of a homemade holder, which was loaded into a focused microwave system (MWM-2000S, Nanjing Kebo Electronic Technology Co., Ltd.) for microwave treatment. The power and pressure were set as 900 W and 0.1 MPa, respectively. The heating time was 1 second. This microwave treatment promoted the reduction and nucleation of metal precursors on the surface of NiP particles.\n\nSubsequently, the resulting CF was immersed into 10 mL of precursor solution containing 0.75 mM Ni(NO3)2\u00b76H2O, 0.75 mM Co(NO3)2\u00b76H2O, 0.75 mM Mn(CH3COO)2, 1.5 mM 4,4'-bipyridine, and 0.075 mM NiCl2\u00b76H2O. The precursor solution was prepared using DI water as the solvent. The mixture was subjected to sonication for 10 minutes to ensure homogeneous distribution of precursors around the CF substrate.\n\nFinally, the CF substrate was heated at 60 \u00b0C for 10 hours under an Ar flow. This step facilitated the electrochemical deposition of NiCoMn-HD materials on the surface of CF, taking advantage of the nucleation sites provided by the reduced metal species from the initial microwave treatment. The electrodeposited material on the surface of CF was then collected and dried in a vacuum oven overnight. The resulting sample was designated as NiP-CF/NCM.",
+ "ground_truth": "Precursor synthesis: The preparation process of NiO/CP was the same as that of the powder sample except for putting a 0.5 \u00d7 2 cm^2 carbon fiber paper into the autoclave before the hydrothermal reaction. The mass loading of NiO on CP was calculated to be 1.5 mg cm^-2.\nSAC synthesis: Synthesis of Ni-NC@Ni grown on CP was the same as that of the powder sample except for using NiO/CP as the precursor."
+ }
+ ],
+ "Dual-single-cobalt-atom-based-carbon-electrocatalysts-for-efficient-CO2-to-syngas-conversion-with-industrial-current-densities": [
+ {
+ "id": 530,
+ "sac_id": "Atom: Co\nSupport Material: HPC (Hierarchically Porous Carbon) and HPC-Co (Hierarchically Porous Carbon with single-atom CoN3 sites and abundant free N dopants)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: HPC (Hierarchically Porous Carbon) and HPC-Co (Hierarchically Porous Carbon with single-atom CoN3 sites and abundant free N dopants)\n\n",
+ "predicted": "Precursor synthesis: 1.0 g Zn(NO3)2\u00b76H2O was dissolved in 50 mL methanol to obtain solution A, and 1.4 g 2-methylimidazole was dissolved in another 50 mL methanol to get solution B. Solution B was poured into solution A, and the mixture was stirred at room temperature for 24 h. The precipitate was collected by centrifugation, washed with ethanol several times, and dried at 80 \u00b0C overnight. ZIF-8 powders were placed in a tube furnace and heated to 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C min-1 under flowing Ar gas. After naturally cooling down to room temperature, the obtained black powder was soaked in 1 M HCl solution for 24 h to remove the Zn species, forming HPC.\n\nElectrode preparation: Typically, 10 mg HPC or HPC-Co powder was uniformly dispersed into 0.5 ml isopropanol containing 5 wt.% Nafion to form a slurry. Then the slurry was coated onto carbon paper (CP, 1.5 \u00d7 3 cm2) by spray method. The loading amount of HPC or HPC-Co on the electrode was controlled at ~0.2 mg cm-2.\n\nElectrochemical measurements: ICP-AES tests were carried out on PerkinElmer DELTA 3300 X-series ICP-AES spectrometer. EIS tests were performed using CHI 760E electrochemical workstation. Cyclic voltammetry (CV), chronomyography (CV), linear sweep voltammetry (LSV) and Koutecky-Levich plots analyses were conducted on CHI 760E electrical workstation. The ORR mass activity of the catalysts was calculated from the current density at 0.9 V (vs RHE) in O2-saturated electrolyte. Linear sweep voltammograms (LSVs) were measured with a scan rate of 10 mV s-1. Chronomyography (CV) was run at a rotation rate of 1200 rpm with a potential window from 0.7 to 1.0 V (vs RHE). EIS tests were performed with an AC amplitude of 5 mV. The TAFK isotherms were measured in a homemade flow cell at 30 \u00b0C. The electrolyte was 0.1 M KOH, the sweeping voltage was 0.45 V (vs SCE) and the waiting time was 10 s.",
+ "ground_truth": "Precursor synthesis: Poly(vinyl imidazole) (PVIm) was prepared akin to literature [27]. Silica sphere was prepared via the St\u00f6ber method: 228 mL of absolute ethanol and 54 mL of deionized water mixed and stirred. 9 mL of 28% NH3H \u00b7 2O and 9.36 mL of tetraethylorthosilicate (TEOS) were added sequentially. This reaction was kept at 25 \u00b0C for 3 h and the white solids were isolated by centrifugation. The SiO2 spheres were produced after washing with ethanol and drying at 70 \u00b0C. 1 g of SiO2 spheres were dispersed in 10 mL ethanol containing 0.25 g PVIm. After sonication for 1 h, 10 mL ethanol solution of cobaltous nitrate hexahydrate (Co(NO3)2\u00b76H2O, 4.45 mg) and zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O, 0.127 g) was dropped by a funnel of constant pressure. ZnCo-PVIm-SiO2 was obtained by centrifugation, and the dried powder carbonized at 910 \u00b0C for 3 h with the heating rate of 2 \u00b0C/min under flowing Ar in a tube furnace and then cooled to ambient temperature naturally. To etch the SiO2 template, the as-synthesized sample was treated in 6 M NaOH aqueous solution at 80 \u00b0C for 24 h, and the products were washed with deionized water until the pH of leachate closed to 7. Finally, the collected product dried at 80 \u00b0C for overnight and denoted as HPC-Co. The control sample, HPC, was prepared as the same procedure as HPC-Co without adding Co(NO3)2\u00b76H2O. Synthesis of HPC/CoPc (m:n) and HPC-Co/CoPc (m:n): Cobalt phthalocyanine (CoPc) was dissolved in DMF firstly. Then, HPC or HPC-Co was dispersed in the CoPc solution by sonication and followed by heating at 90 \u00b0C for 12 h. The mass ratio of HPC or HPC-Co to CoPc was 10:1, 5:1, and 1:1. Lastly, HPC/CoPc and HPC-Co/CoPc were obtained after removing solvent and drying. SAC synthesis: HPC-Co embedded with single-atom CoNx site were first prepared by carbonization of Zn and Co ions (Zn/Co = 28)-crosslinked PVIm (ZnCoPVIm) in the presence of silica sphere template. HPC-Co and HPC were served as matrixes to support CoPc with a single CoN4 center, giving HPC-Co/CoPc (m:n) and HPC/CoPc (m:n). The contents of Co atoms in the hybrid catalysts were detected by XPS. HPC-Co/CoPc (m:n) and HPC/CoPc (m:n) were synthesized by dispersing HPC or HPC-Co in a CoPc solution, followed by sonication and heating at 90 \u00b0C for 12 h."
+ }
+ ],
+ "A-general-bimetal-ion-adsorption-strategy-to-prepare-nickel-single-atom-catalysts-anchored-on-graphene-for-efficient-oxygen-evolution-reaction": [
+ {
+ "id": 531,
+ "sac_id": "Atom: Ni\nSupport Material: Graphene\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Graphene\n\n",
+ "predicted": "Precursor synthesis: The Ni(NO3)2\u00b76H2O (1 mmol/L) aqueous solution was prepared by dissolving the Ni(NO3)2\u00b76H2O in deionized water.\n\nSynthesis: First, 0.5 g of graphene and 4 mL of ethanol were added into a 250 mL round-bottom flask and ultrasonicated for 1 h to obtain a homogeneous graphene suspension. Then, Ni(NO3)2\u00b76H2O (1 mmol/L, 8 mL) was added dropwise into the graphene suspension under stirring at room temperature. After continuous stirring for 12 h, the resulting mixture was transferred to a rotary evaporator and the residue was dried at 70 \u00b0C for 12 h. Finally, the obtained powder was pyrolyzed at 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C min -1 under an argon atmosphere. After cooling down naturally to room temperature, the product was collected.",
+ "ground_truth": "Precursor synthesis: Graphene oxide (GO) nanosheets were assumed to be commercially available or synthesized using a standard method.\nSAC synthesis: In a typical synthesis, 200 mg graphene oxide (GO) nanosheets were dispersed in 100 mL of deionized water under stirring, followed by adding 200 mg KNO3 and 50 mg Ni(NO3)2\u00b76H2O and continuously stirred for 0.5 h. A rinsing process involving the steps of centrifugation, washing, re-dispersion, and centrifugation was performed with deionized water. Then, the as-obtained suspension sample was added into a 50 mL centrifuge tube and subsequently frozen in liquid nitrogen to form the solid-state sample. The frozen sample was freeze-dried for 2 d to remove water at -55 \u00b0C and 13 Pa. Afterwards, the freeze-dried sample was annealed in pure Ar at 400 \u00b0C for 6 h. The mass content of Ni in Ni-O-G SACs was calculated to be 2.1 wt%, by annealing 100 mg Ni-O-G SACs at 900 \u00b0C for 12 h in air, and continuously annealing in H2 with 60 sccm at 500 \u00b0C for 6 h to obtain metallic Ni."
+ },
+ {
+ "id": 532,
+ "sac_id": "Atom: Ni\nSupport Material: Ultrathin reduced graphene oxide (rGO)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Ultrathin reduced graphene oxide (rGO)\n\n",
+ "predicted": "Precursor synthesis: Graphene oxide was synthesized by a modified Hummers method. 500 mg of graphene oxide and 12.5 mg of nickel chloride hexahydrate were dispersed in 50 mL of water, followed by stirring for 24 h to form a homogeneous solution. The solution was freeze-dried to obtain GO/Ni precursors.\n\nConversion: The as-prepared GO/Ni precursors were annealed at 800 \u00b0C under an Ar flow (100 sccm) for 3 h to form Ni@rGO.",
+ "ground_truth": "Precursor synthesis: Graphene oxide (GO) nanosheets were assumed to be commercially available or synthesized using a standard method.\nSAC synthesis: In a typical synthesis, 200 mg graphene oxide (GO) nanosheets were dispersed in 100 mL of deionized water under stirring, followed by adding 200 mg KNO3 and 50 mg Ni(NO3)2\u00b76H2O and continuously stirred for 0.5 h. A rinsing process involving the steps of centrifugation, washing, re-dispersion, and centrifugation was performed with deionized water. Then, the as-obtained suspension sample was added into a 50 mL centrifuge tube and subsequently frozen in liquid nitrogen to form the solid-state sample. The frozen sample was freeze-dried for 2 d to remove water at -55 \u00b0C and 13 Pa. Afterwards, the freeze-dried sample was annealed in pure Ar at 400 \u00b0C for 6 h. The mass content of Ni in Ni-O-G SACs was calculated to be 2.1 wt%, by annealing 100 mg Ni-O-G SACs at 900 \u00b0C for 12 h in air, and continuously annealing in H2 with 60 sccm at 500 \u00b0C for 6 h to obtain metallic Ni."
+ }
+ ],
+ "Cold-plasma-technique-enabled-supported-Pt-single-atoms-with-tunable-coordination-for-hydrogen-evolution-reaction": [
+ {
+ "id": 533,
+ "sac_id": "Atom: Pt\nSupport Material: Acetylene black\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Acetylene black\n\n",
+ "predicted": "Precursor synthesis: The Pt precursor used is tetraammineplatinum(II) nitrate (TAPN), which was purchased from Strem Chemicals Inc. and used without further purification.\n\nPECOM Synthesis: For the PECOM process, 20 mg of TAPN and 60 mg of acetylene black (Ketjenblack EC-300J) were dispersed in 1 mL of ethanol, followed by 5 min of sonication to obtain a homogeneous ink. This ink was then transferred into a custom-built quartz reactor tube with a diameter of 4 cm and length of 70 cm for the ALD process. The ALD process was performed using alternating pulses of O3 and He at a frequency of 30 s per cycle. The number of ALD cycles was varied from 1 to 100 to study the effect of Pt loading on the electrocatalyst performance. During the O3 pulse, the pressure of O3 was controlled at 8 kPa, while during the He pulse, it was set at 150 kPa. The temperature of the reactor tube was maintained at 90 \u00b0C throughout the process.",
+ "ground_truth": "Precursor synthesis: 100 mg of acetylene black and 0.5 mL of 0.01 M H2PtCl6 \u00b7 xH2O solution were dispersed in 5 mL of ethanol for 2 h to obtain a homogenous black suspension.\nSAC synthesis: The slurries were dried in an oven at 60 \u00b0C for 12 h. After drying, the black solid product was ground into a fine powder. The final product was obtained via plasma treatment under an argon atmosphere with a flow rate of 20 mL/min. The power and vacuum of the plasma device were 80 W and 10 Pa, respectively. The plasma technique used was radio frequency (RF) plasma, powered by a 13.56 MHz power source. Before the start-up of the plasma, the chamber was vacuumized to lower than 0.1 Pa. After that, argon was injected continuously, and the vacuum degree decreased to around 10 Pa when the flow rate was 20 mL/min. The higher flow rate led to a lower vacuum degree. The power of the plasma emitter was adjusted when the flow was steady."
+ }
+ ],
+ "Single-atom-Rh-based-bipyridine-framework-porous-organic-polymer:-A-high-active-and-superb-stable-catalyst-for-heterogeneous-methanol-carbonylation": [
+ {
+ "id": 534,
+ "sac_id": "Atom: Rh\nSupport Material: POL-2BPY (porous organic ligands with bipyridine framework)\nSynthesis Method: Solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Rh\nSupport Material: POL-2BPY (porous organic ligands with bipyridine framework)\n\n",
+ "predicted": "Precursor synthesis: A mixture of 2,6-diformylpyridine (DFP) (0.318 g, 2.5 mmol), 4,4',4'',4'''-(pentamethylenediamine) (PDMD) (0.790 g, 2.5 mmol), benzoyl acetone (BA) (0.12 g, 0.75 mmol) and pyridine (10 mL) was stirred at room temperature for 1 h under nitrogen atmosphere. After that, the mixture was heated to 120 \u00b0C for 1 h in an oil bath. The resulting solution was cooled down to room temperature and then methanol solvent was removed by rotary evaporation. The remaining solution was added dropwise into 200 mL of CHCl3, and subsequently kept still for 30 min. Afterwards, the mixture was filtered and the solid product was washed with CHCl3 three times. The obtained solid was dried in vacuum at 60 \u00b0C for overnight to afford the final product as yellow powder in a yield of 70%.\n\nSynthesis of POL-2BPY: A mixture of POL-2 (0.10 g, 0.16 mmol) and H2O2 (0.01 g, 0.88 mmol) in dry toluene (10 mL) was stirred at room temperature for 12 h under N2 atmosphere. Then, the mixture was concentrated under reduced pressure. The residue was further purified by column chromatography on silica gel (eluent: CHCl3/CH3OH = 10:1) to give pure POL-2BPY as red powder in a yield of 80%.\n\nRh Complex Synthesis: A mixture of POL-2BPY (0.05 g, 0.08 mmol) and [Rh(NH3)5]Cl2 (0.03 g, 0.08 mmol) in MeOH (10 mL) was stirred at room temperature for 12 h under N2 atmosphere. Then, the mixture was concentrated under reduced pressure. The residue was further purified by preparative TLC on silica gel (eluent: CHCl3/CH3OH = 10:1) to give pure Rh/POL-2BPY complex as blue powder in a yield of 70%.",
+ "ground_truth": "Precursor synthesis: 7.15 g 2,6-dibromopyridine was stirred and dissolved in 100 ml diethyl ether under room temperature, followed by addition of 15 ml (2.5 mol/L) n-BuLi drop by drop under -78 \u00b0C. After the mixture was stirred under -78 \u00b0C for 0.5 h, the temperature raised naturally to -50 \u00b0C by stopping cooling, and then decreased to -78 \u00b0C by restarting cooling, followed by adding 4.12 g CuCl2 into the mixture. The resulting mixture was transferred into the oxygen atmosphere for 30 min, when reaching to 50 to 60 \u00b0C. The reaction was quenched by the addition of a few drops of water, and the liquid phase of the mixture was obtained by suction filtration, dried over Na2SO4, filtered, and evaporated under reduced pressure. After purifying by column chromatography on silica gel, 6,6'-dibromo-2,2'-bipyridine was obtained in 30% yield. 2 g 6,6'-dibromo-2,2'-bipyridine, 2.6 g potassium vinyltrifluoroborate, and 0.27 g [1,1'-bis(diphenylphosphino)ferrocene] dichloropalladium(II) PdCl2(dppf) was dissolved in 5.5 ml triethylamine and 20 ml n-propanol under Ar atmosphere. The mixture was stirred and refluxed under 100 \u00b0C for 4 h. The reaction was quenched by the addition of 20 ml water, and the aqueous part phase was extracted with ethyl acetate for four times. The organic phase was dried over Na2SO4, filtered, and evaporated under reduced pressure. After purifying by column chromatography on silica gel, 6,6'-divinyl-2,2'-bipyridine was obtained in 90% yield. 1 g 6,6'-divinyl-2,2'-bipyridine, 0.05 g azodiisobutyronitrile and 20 ml DMF was added in a solvothermal reactor and stirred at 25 \u00b0C for 3 h until absolute dissolution. Then, the solvothermal reactor was stirred and heated at 100 \u00b0C under Ar atmosphere for 24 h. After cooled to room temperature, the white solid was filtrated and washed with 60 ml DMF, and was dried under vacuum at 100 \u00b0C for 6 h. The obtained homo-polymer was labeled as POL-2BPY.\nSAC synthesis: 5.4 mg of Rh2(CO)4Cl2 was stirred and dissolved in 30 ml of CH2Cl2, followed by the addition of 1.0 g of POL-2BPY. After stirring for 24 h under argon atmosphere at room temperature, the Rh-POL2BPY was filtered, washed with 60 ml CH2Cl2 and dried at 60 \u00b0C in vacuum."
+ }
+ ],
+ "Metal-organic-framework-encapsulated-single-atom-Pt-catalysts-for-efficient-photocatalytic-hydrogen-evolution": [
+ {
+ "id": 535,
+ "sac_id": "Atom: Pd\nSupport Material: MOF-808-EDTA (MBT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pd\nSupport Material: MOF-808-EDTA (MBT)\n\n",
+ "predicted": "Precursor synthesis: 275 mg of ZrOCl2\u00b78H2O and 13.4 mg of H4btc were dissolved in 10 mL of N,N-dimethylformamide. The solution was transferred into a 20 mL Teflon-lined stainless steel autoclave and heated at 120 \u00b0C for 24 h. The product was separated by centrifugation and washed with ethanol and water several times. Briefly, 60 mg of as-synthesized CRO-MOF was suspended in 20 mL of EtOH and then added to 40 mL of EtOH containing 96 mg of EDTA. The mixture was sealed in a 50 mL Teflon-lined stainless steel autoclave and heated at 120 \u00b0C for 24 h. The product was collected by centrifugation, washed with EtOH, and dried under vacuum at room temperature.\n|improved||<|user|>|Atom: Pd\nSupport Material: MOF-808-EDTA (MBT)|<|procedure|>|Precursor synthesis: 275 mg of ZrOCl2\u00b78H2O and 13.4 mg of H4btc were dissolved in 10 mL of N,N-dimethylformamide. The solution was transferred into a 20 mL Teflon-lined stainless steel autoclave and heated at 120 \u00b0C for 24 h. The product was separated by centrifugation and washed with ethanol and water several times. Briefly, 60 mg of as-synthesized CRO-MOF was suspended in 20 mL of EtOH and then added to 40 mL of EtOH containing 96 mg of EDTA. The mixture was sealed in a 50 mL Teflon-lined stainless steel autoclave and heated at 120 \u00b0C for 24 h. The product was collected by centrifugation, washed with EtOH, and dried under vacuum at room temperature.",
+ "ground_truth": "Precursor synthesis: A mixture of trimesic acid (H3BTC) (2.1 g, 10 mmol) and ZrOCl2/C1 8H2O (9.7 g, 30 mmol) was dissolved in dimethylformamide (DMF)/formic acid (450 mL/450 mL) within a 1 L screw-capped glass jar, which was heated to 130 /C176 C for two days. The assynthesized MOF-808 was then rinsed with DMF and acetone, and dried in vacuum at 150 /C176 C. The 0.100 g of MOF-808 and 1.860 g of ethylenediaminetetraacetic acid disodium salt (EDTA2Na) was added to 50 mL H2O at 60 /C176 C for 24 h. After being filtrated and washed with H2O for several times, a white precipitate MOF808-EDTA (MBT) was obtained.\nSAC synthesis: Using the same preparation method as for Pt-SACs/MBT, Pd-SACs/MBT was prepared by replacing Pt(NO3)2 with the same concentration of Pd(NO3)2."
+ },
+ {
+ "id": 536,
+ "sac_id": "Atom: Ru\nSupport Material: MOF-808-EDTA (MBT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ru\nSupport Material: MOF-808-EDTA (MBT)\n\n",
+ "predicted": "Precursor synthesis: 5.0 mmol of Zn(NO3)2\u00b76H2O and 1.0 mmol of EDTA were dissolved in 40 mL of methanol to form a clear solution, denoted as solution A. 10.0 mmol of 2-methylimidazole was dissolved in 40 mL of methanol to form a clear solution, denoted as solution B. Solution A was added to solution B with vigorous stirring at room temperature for 24 h. The obtained product was separated by centrifugation, washed with ethanol and deionized water, and dried at 60 \u00b0C under a vacuum for 12 h.\nMBT synthesis: 0.7 g of ZIF-8 and 0.15 g of Ru(acac)3 were mixed with 10 mL of ethanol and sonicated for 15 min. The mixture was transferred into a Teflon-lined autoclave and heated at 90 \u00b0C in an oven for 12 h. After cooling down to room temperature, the product was washed with ethanol and deionized water several times and dried at 60 \u00b0C under a vacuum overnight.\nMOF-808-Ru-EDTA synthesis: 0.1 g of MOF-808-NH2 and 0.1 g of Ru(acac)3 were mixed with 10 mL of methanol containing 0.1 g of EDTA by ultrasonication for 15 min. The mixture was further stirred at room temperature for 24 h. The product was separated by centrifugation, washed with ethanol and deionized water, and dried at 60 \u00b0C under a vacuum overnight.",
+ "ground_truth": "Precursor synthesis: A mixture of trimesic acid (H3BTC) (2.1 g, 10 mmol) and ZrOCl2/C1 8H2O (9.7 g, 30 mmol) was dissolved in dimethylformamide (DMF)/formic acid (450 mL/450 mL) within a 1 L screw-capped glass jar, which was heated to 130 /C176 C for two days. The assynthesized MOF-808 was then rinsed with DMF and acetone, and dried in vacuum at 150 /C176 C. The 0.100 g of MOF-808 and 1.860 g of ethylenediaminetetraacetic acid disodium salt (EDTA2Na) was added to 50 mL H2O at 60 /C176 C for 24 h. After being filtrated and washed with H2O for several times, a white precipitate MOF808-EDTA (MBT) was obtained.\nSAC synthesis: Using the same preparation method as for Pt-SACs/MBT, Ru-SACs/MBT was prepared by replacing Pt(NO3)2 with the same concentration of RuCl3 /C1 3H2O."
+ },
+ {
+ "id": 537,
+ "sac_id": "Atom: Cu\nSupport Material: MOF-808-EDTA (MBT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: MOF-808-EDTA (MBT)\n\n",
+ "predicted": "Precursor synthesis: 2.6 mg of EDTA was first dissolved in 1 mL of DMF, followed by adding 14 mg of ZrCl4 and 50 mg of H3BTC, and then stirred at room temperature for 1 h. A total of 70 mg of KCl was added to the above solution and stirred for another 1 hour. The final mixture was transferred into a Teflon-lined stainless steel autoclave and heated at 120 \u00b0C for 24 hours. After cooling down to room temperature, the solid products were collected by centrifugation, washed with DMF and ethanol three times, and finally dried under vacuum at 80 \u00b0C overnight.\nMOF-808-EDTA synthesis: 200 mg of MOF-808 was dispersed in 10 mL of deionized water, followed by adding 100 \u03bcL of Na2EDTA (0.1 mol/L) solution and stirring for 12 hours. Then the solid product was collected by centrifugation, washed with deionized water and ethanol three times, and finally dried under vacuum at 80 \u00b0C overnight.\nCu insertion: 20 mg of MOF-808-EDTA powder was dispersed in 5 mL of deionized water, followed by adding 10 \u03bcL of CuCl2\u00b72H2O solution (20 mg/mL) and stirring for 12 hours. Finally, the solid product was collected by centrifugation, washed with deionized water and ethanol three times, and finally dried under vacuum at 80 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: A mixture of trimesic acid (H3BTC) (2.1 g, 10 mmol) and ZrOCl2/C1 8H2O (9.7 g, 30 mmol) was dissolved in dimethylformamide (DMF)/formic acid (450 mL/450 mL) within a 1 L screw-capped glass jar, which was heated to 130 /C176 C for two days. The assynthesized MOF-808 was then rinsed with DMF and acetone, and dried in vacuum at 150 /C176 C. The 0.100 g of MOF-808 and 1.860 g of ethylenediaminetetraacetic acid disodium salt (EDTA2Na) was added to 50 mL H2O at 60 /C176 C for 24 h. After being filtrated and washed with H2O for several times, a white precipitate MOF808-EDTA (MBT) was obtained.\nSAC synthesis: Using the same preparation method as for Pt-SACs/MBT, Cu-SACs/MBT was prepared by replacing Pt(NO3)2 with the same concentration of Cu(NO3)2 /C1 3H2O."
+ },
+ {
+ "id": 538,
+ "sac_id": "Atom: Ni\nSupport Material: MOF-808-EDTA (MBT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: MOF-808-EDTA (MBT)\n\n",
+ "predicted": "Precursor synthesis: 5.0 mmol Zn(NO3)2\u00b76H2O, 4.9 mmol Cd(NO3)2\u00b74H2O, and 1.0 mmol EDTA were dissolved in 70 mL DI water to form a clear solution. Then, 30 mL mixed solution containing 2-methylimidazole (6.0 mmol) and triethylamine (TEA; 6.0 mmol) was prepared. After vigorous stirring for 1 h, the above solution B was quickly added into solution A by sonication for 10 min, and a milky white suspension was formed immediately. The mixture was aged at room temperature for 24 h without stirring. The as-obtained sample was centrifuged and washed with water three times. The pure MBT was obtained by drying under vacuum at 60 \u00b0C overnight.\nSynthesis of Ni/MBT: In a typical procedure, 1.0 g MBT precursor was dispersed in 100 mL methanol containing 1.0 mmol Ni(NO3)2\u00b76H2O under vigorous stirring for 12 h. The solid product was collected by centrifugation and washed with methanol several times, and then dried under vacuum at 60 \u00b0C overnight. The obtained powder was placed in a tube furnace and heated to 350 \u00b0C for 4 h with a ramp rate of 2 \u00b0C min^\u22121 under Ar flow. The obtained black powder was soaked in 0.5 M H2SO4 at room temperature for 24 h to remove metallic Ni nanoparticles. Finally, the samples were centrifuged and washed with water until pH is neutral, and then dried under vacuum at 60 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: A mixture of trimesic acid (H3BTC) (2.1 g, 10 mmol) and ZrOCl2/C1 8H2O (9.7 g, 30 mmol) was dissolved in dimethylformamide (DMF)/formic acid (450 mL/450 mL) within a 1 L screw-capped glass jar, which was heated to 130 /C176 C for two days. The assynthesized MOF-808 was then rinsed with DMF and acetone, and dried in vacuum at 150 /C176 C. The 0.100 g of MOF-808 and 1.860 g of ethylenediaminetetraacetic acid disodium salt (EDTA2Na) was added to 50 mL H2O at 60 /C176 C for 24 h. After being filtrated and washed with H2O for several times, a white precipitate MOF808-EDTA (MBT) was obtained.\nSAC synthesis: Using the same preparation method as for Pt-SACs/MBT, Ni-SACs/MBT was prepared by replacing Pt(NO3)2 with the same concentration of Ni(NO3)2 /C1 6H2O."
+ },
+ {
+ "id": 539,
+ "sac_id": "Atom: Co\nSupport Material: MOF-808-EDTA (MBT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: MOF-808-EDTA (MBT)\n\n",
+ "predicted": "Precursor synthesis: 2.5 mmol Zn(NO3)2\u00b76H2O and 0.5 mmol Co(NO3)2\u00b76H2O were dissolved in 40 mL of methanol solution. This solution was then added to a mixture of 4.5 mmol 2-methylimidazole in 40 mL of methanol under stirring. The mixed solution was sonicated for 10 min, and then kept at room temperature for 24 h. The obtained sample was centrifuged and washed with methanol three times, and dried at 80 \u00b0C under vacuum overnight.\nSBP synthesis: 100 mg MOF-808-EDTA powder was transferred into a ceramic boat and placed in a tube furnace. It was heated to 950 \u00b0C with a rate of 5 \u00b0C min -1 under Ar gas flow (200 mL min -1 ). The sample was further heated to 1000 \u00b0C with a rate of 5 \u00b0C min -1 and kept at this temperature for 2 h before cooling down to room temperature.",
+ "ground_truth": "Precursor synthesis: A mixture of trimesic acid (H3BTC) (2.1 g, 10 mmol) and ZrOCl2/C1 8H2O (9.7 g, 30 mmol) was dissolved in dimethylformamide (DMF)/formic acid (450 mL/450 mL) within a 1 L screw-capped glass jar, which was heated to 130 /C176 C for two days. The assynthesized MOF-808 was then rinsed with DMF and acetone, and dried in vacuum at 150 /C176 C. The 0.100 g of MOF-808 and 1.860 g of ethylenediaminetetraacetic acid disodium salt (EDTA2Na) was added to 50 mL H2O at 60 /C176 C for 24 h. After being filtrated and washed with H2O for several times, a white precipitate MOF808-EDTA (MBT) was obtained.\nSAC synthesis: Using the same preparation method as for Pt-SACs/MBT, Co-SACs/MBT was prepared by replacing Pt(NO3)2 with the same concentration of Co(NO3)2 /C1 6H2O."
+ },
+ {
+ "id": 540,
+ "sac_id": "Atom: Pt\nSupport Material: MOF-808-EDTA (MBT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: MOF-808-EDTA (MBT)\n\n",
+ "predicted": "Precursor synthesis: 275 mg of Zn(NO3)2\u00b76H2O and 14.5 mg of EDTA were dissolved in 12 mL of methanol with stirring for 1 hour. Then, 390 mg of 2-methylimidazole in 12 mL of methanol was added into the above solution with vigorous stirring for another 1 hour at room temperature. The resulting suspension was transferred into a 25 mL Teflon-lined autoclave and heated at 120 \u00b0C for 6 hours. After cooling to ambient temperature naturally, the white powder was collected by centrifugation and washed with methanol five times.\nMBT synthesis: 100 mg of MOF-808-COOH was dispersed in 20 mL of deionized water containing 25 mg of Na2PtCl6. The mixture was ultrasonicated for 1 hour and then heated at 40 \u00b0C under continuous stirring. After 12 hours, the precipitate was collected by centrifugation and washed with deionized water three times. The obtained product was dried at 60 \u00b0C overnight and then annealed at 400 \u00b0C for 2 hours in a tube furnace under N2 atmosphere.",
+ "ground_truth": "Precursor synthesis: A mixture of trimesic acid (H3BTC) (2.1 g, 10 mmol) and ZrOCl2/C1 8H2O (9.7 g, 30 mmol) was dissolved in dimethylformamide (DMF)/formic acid (450 mL/450 mL) within a 1 L screw-capped glass jar, which was heated to 130 /C176 C for two days. The assynthesized MOF-808 was then rinsed with DMF and acetone, and dried in vacuum at 150 /C176 C. The 0.100 g of MOF-808 and 1.860 g of ethylenediaminetetraacetic acid disodium salt (EDTA2Na) was added to 50 mL H2O at 60 /C176 C for 24 h. After being filtrated and washed with H2O for several times, a white precipitate MOF808-EDTA (MBT) was obtained.\nSAC synthesis: The introduction of Pt metal into MOF-808-EDTA was quite facile. Firstly, about 200 mL Pt nitrate (Pt(NO3)2) solution with 10 ppm Pt 2+ concentration (CPt2+) was added into 200 mg MBT sample at room temperature. After 6 h, this mixture was centrifugated at 10000 rpm for 5 min and washed with H2O for three times. After drying this sample in vacuum at 60 /C176 C, the MBT encapsulated single Pt 2+ ions (Pt 2+ -SAs/MBT) sample was obtained. The Pt 2+ -SAs/MBT can then be activated under a flowing H2 atmosphere for 2 h, obtaining the MBT encapsulated single-atom Pt catalyst (Pt-SACs/MBT)."
+ },
+ {
+ "id": 541,
+ "sac_id": "Atom: Rh\nSupport Material: MOF-808-EDTA (MBT)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Rh\nSupport Material: MOF-808-EDTA (MBT)\n\n",
+ "predicted": "Precursor synthesis: 5.0 mmol Zn(NO3)2\u00b76H2O, 1.0 mmol Cd(NO3)2\u00b74H2O, and 1.0 mmol EDTA were dissolved in 75 mL of methanol to form a clear solution. Then, 75 mL of methanol containing 15.0 mmol 2-methylimidazole was added slowly into the above solution with vigorous stirring for 1 h at room temperature. The mixture was transferred into a 100 mL Teflon-lined stainless-steel autoclave and heated at 120 \u00b0C for 4 h. After cooling to room temperature, the solid product was collected by centrifugation and washed thoroughly with ethanol and water before drying under vacuum at 80 \u00b0C overnight. The powder obtained was labeled as MOF-808-EDTA.\nSynthesis of Rh/MBT: A certain amount of MOF-808-EDTA powder was placed in a porcelain boat and then annealed at 900 \u00b0C for 4 h at a heating rate of 5 \u00b0C min^-1 under flowing Ar (30 mL min^-1). The resulting black powder was labeled as MOF-808-EDTA@Rh (MBT).",
+ "ground_truth": "Precursor synthesis: A mixture of trimesic acid (H3BTC) (2.1 g, 10 mmol) and ZrOCl2/C1 8H2O (9.7 g, 30 mmol) was dissolved in dimethylformamide (DMF)/formic acid (450 mL/450 mL) within a 1 L screw-capped glass jar, which was heated to 130 /C176 C for two days. The assynthesized MOF-808 was then rinsed with DMF and acetone, and dried in vacuum at 150 /C176 C. The 0.100 g of MOF-808 and 1.860 g of ethylenediaminetetraacetic acid disodium salt (EDTA2Na) was added to 50 mL H2O at 60 /C176 C for 24 h. After being filtrated and washed with H2O for several times, a white precipitate MOF808-EDTA (MBT) was obtained.\nSAC synthesis: Using the same preparation method as for Pt-SACs/MBT, Rh-SACs/MBT was prepared by replacing Pt(NO3)2 with the same concentration of RhCl3."
+ }
+ ],
+ "Cost-effective-mechanochemical-synthesis-of-highly-dispersed-supported-transition-metal-catalysts-for-hydrogen-storage": [
+ {
+ "id": 542,
+ "sac_id": "Atom: Mn\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Mn\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,3-dicyanobenzene, manganese chloride hexahydrate, and potassium hydroxide were used as precursors.\n\nSynthesis of Mn-N-C: The synthesis procedure is similar to that of VN4-N-C, with the replacement of vanadium nitrate trihydrate (20 mg) with manganese chloride hexahydrate (5 mg). Other parameters remain unchanged.",
+ "ground_truth": "Precursor synthesis: Similar to the synthesis of the nickel precursor, but using manganese(II) acetate tetrahydrate (0.0623 mmol) and 1,10-phenanthroline monohydrate (0.1867 mmol) dissolved in ethanol (1.5 mL).\nSAC synthesis: The ball-milled powders pyrolyzed at 500 \u00b7 C for 2 h at a heat rate of 2 \u00b7 C/min. The obtained powders dispersed into distilled water (30 mL), followed by filtration and rinsing. The black residue re-dispersed into distilled water (10 mL), and freeze-drying for 12 h to obtain the final product, black and fluffy Mn-N-C powders."
+ },
+ {
+ "id": 543,
+ "sac_id": "Atom: Zn\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Zn\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,3-dicyanobenzene and zinc acetate were used as precursors.\nSynthesis: In a typical experiment, 1,3-dicyanobenzene (2 mmol) and zinc acetate (2 mmol) were mixed in 5 mL of absolute ethanol. The mixture was transferred into a Teflon-lined stainless steel autoclave and heated at 180 \u00b0C for 6 h. After cooling to room temperature, the obtained black powder was washed with absolute ethanol and distilled water several times, followed by drying at 70 \u00b0C overnight under vacuum.\nElectrochemical measurements: A three-electrode system was employed for the electrochemical measurements, where the as-prepared CoZn-N4/C (2 mg), commercial CoOAc (2 mg) and carbon supermarket (2 mg) electrocatalysts were dispersed in 1 M KOH solution (5 mL) containing 0.01 M H2SO4 and modified with a glassy carbon electrode (GC, 0.11 cm\u00b2). A Ag/AgCl electrode and a reversible hydrogen electrode (RHE) were used as reference and working electrodes, respectively. Cyclic voltammetry (CV) was performed in the potential range from -0.2 V to -0.6 V vs RHE with a scan rate of 10 mV s\u207b\u00b9. Linear sweep voltammetry (LSV) was carried out with a scan rate of 5 mV s\u207b\u00b9 from 0.05 to -0.50 V vs RHE after 20 cycles of CV. Electrochemical impedance spectroscopy (EIS) measurements were conducted using an AC amplitude of 5 mV with LSV at 0.20 V vs RHE. The ORR mass activities of the catalysts were evaluated by Koutchsava et al. method. The ORR current was normalized to the number of electrons transferred per oxygen molecule. The half-wave potential (E\u2081\u2080) was defined as the potential at which the current density was equal to one-half of its maximum value.",
+ "ground_truth": "Precursor synthesis: Similar to the synthesis of the nickel precursor, but using zinc(II) acetate dihydrate (0.0623 mmol) and 1,10-phenanthroline monohydrate (0.1867 mmol) dissolved in ethanol (1.5 mL).\nSAC synthesis: The ball-milled powders pyrolyzed at 500 \u00b7 C for 2 h at a heat rate of 2 \u00b7 C/min. The obtained powders dispersed into distilled water (30 mL), followed by filtration and rinsing. The black residue re-dispersed into distilled water (10 mL), and freeze-drying for 12 h to obtain the final product, black and fluffy Zn-N-C powders."
+ },
+ {
+ "id": 544,
+ "sac_id": "Atom: Ce\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ce\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,3-dicyanobenzene and cobalt nitrate were used as precursors.\n\nSynthesis: In a typical experiment, 1,3-dicyanobenzene (0.5 mmol) and cobalt nitrate (0.25 mmol) were dispersed in 40 mL acetonitrile solution. After stirring for 1 h, the mixture was transferred into a Teflon-lined stainless steel autoclave and heated at 180 \u00b0C for 6 h. After cooling to room temperature, the black product was collected by centrifugation, washed with deionized water three times, and dried at 60 \u00b0C under vacuum overnight.\n\nDoping of Co-CN: A typical procedure is as follows: 10 mg Co-CN was dispersed in 5 mL isopropanol. After stirring for 5 min, 0.15 mL TEOS was added to the above solution and stirred for another 10 min. The mixture was then transferred to a 40 mL Teflon-lined stainless steel autoclave and heated at 100 \u00b0C for 2 h. Finally, the products were collected by centrifugation, washed with deionized water three times, and dried at 60 \u00b0C under vacuum overnight.\n\nPyrolysis: To prepare Co/N-C:SiO2, the as-synthesized Co-CN:TEOS was heated from room temperature to 700 \u00b0C at a rate of 5 \u00b0C/min and maintained for 2 h under an Ar flowing atmosphere.\n\nExtraction: The Co/N-C:SiO2 was dispersed in 2 M HNO3 solution and stirred for 6 hours at room temperature. Then, the mixture was centrifuged and rinsed with deionized water several times until the supernatant pH reached about 7. The obtained solid sample was dried at 60 \u00b0C under vacuum overnight.",
+ "ground_truth": "Precursor synthesis: Similar to the synthesis of the nickel precursor, but using cerium(III) nitrate hexahydrate (0.0623 mmol) and 1,10-phenanthroline monohydrate (0.1867 mmol) dissolved in ethanol (1.5 mL).\nSAC synthesis: The ball-milled powders pyrolyzed at 500 \u00b7 C for 2 h at a heat rate of 2 \u00b7 C/min. The obtained powders dispersed into distilled water (30 mL), followed by filtration and rinsing. The black residue re-dispersed into distilled water (10 mL), and freeze-drying for 12 h to obtain the final product, black and fluffy Ce-N-C powders."
+ },
+ {
+ "id": 545,
+ "sac_id": "Atom: La\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: La\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,3-dicyanobenzene and anhydrous FeCl3 with a molar ratio of 2:1 were pyrolyzed at 600 \u00b0C under a N2 atmosphere for 2 h with a heating rate of 5 \u00b0C min-1 to produce yellow-brown bulk Fe(II)-N4. 1,3-dicyanobenzene and anhydrous ZnCl2 with a molar ratio of 2:1 were pyrolyzed at 600 \u00b0C under a N2 atmosphere for 2 h with a heating rate of 5 \u00b0C min-1 to produce white bulk Zn(II)-N4.\n\nSynthesis of LaN-C/Fe-N-C and LaN-C/Zn-N-C: For the preparation of LaN-C/Fe-N-C and LaN-C/Zn-N-C, 1,3-dicyanobenzene and anhydrous FeCl3 or ZnCl2 with a molar ratio of 2:1 were mixed in a mortar and ground for 10 minutes. The mixture was then pyrolyzed at 900 \u00b0C for 1 h under a N2 atmosphere with a heating rate of 5 \u00b0C min-1.",
+ "ground_truth": "Precursor synthesis: Similar to the synthesis of the nickel precursor, but using lanthanum(III) nitrate hexahydrate (0.0623 mmol) and 1,10-phenanthroline monohydrate (0.1867 mmol) dissolved in ethanol (1.5 mL).\nSAC synthesis: The ball-milled powders pyrolyzed at 500 \u00b7 C for 2 h at a heat rate of 2 \u00b7 C/min. The obtained powders dispersed into distilled water (30 mL), followed by filtration and rinsing. The black residue re-dispersed into distilled water (10 mL), and freeze-drying for 12 h to obtain the final product, black and fluffy La-N-C powders."
+ },
+ {
+ "id": 546,
+ "sac_id": "Atom: Cr\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cr\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,3-dicyanobenzene and cobalt nitrate were used as precursors.\n\nSynthesis: In a typical experiment, 1,3-dicyanobenzene (0.5 mmol) and cobaltous acetate (0.2 mmol) were added into DMF solution (20 mL) containing trifluoroacetic acid (0.4 mL). After stirring at room temperature for 1 h, the solution was added to H2O (60 mL), followed by addition of NaOH solution (3 mol L-1, 4 mL). The resulting slurry was extracted with CHCl3 (18 mL \u00d7 3 times), then dried over anhydrous Na2SO4. Evaporation of the solvent gave crude product, which was purified by silica gel column chromatography using petroleum ether/ethyl acetate (v/v = 1:1) as eluent to afford 1,3-bis(cyano)-2-(methylenecarbamoyl)benzene (LDM) in 79% yield.\n\nIn a typical procedure, Zn(NO3)2\u00b76H2O (1.125 g) was dissolved in methanol (20 mL) and stirred for 10 min, followed by the addition of 1,3-bis(cyano)-2-(methylenecarbamoyl)benzene (0.5 mmol) and stoichiometric amounts of 1,2-dibromoethane (0.05 mL) and triethylamine (0.15 mL). The reaction mixture was stirred at room temperature for 12 h, and the resulting precipitates were collected by centrifugation, washed three times with methanol, and dried under vacuum to give Co-LDM in 60% yield.\n\nThe as-prepared Co-LDM (50 mg) and NH2CH2CH2NH2 (1 mL) were ultrasonically dispersed in ethanol (20 mL), followed by stirring at room temperature for 24 h. The resulting solid was collected by centrifugation and washed with deionized water. Then, the solid was stirred in methanol/ammonia solution (v/v = 1:1) at 60 \u00b0C for 24 h and filtered. Finally, the obtained solid was stirred in H2O/MeOH solution (v/v = 1:1) for 24 h and then freeze-dried for 24 h to give Co-LDD@N-C in 40% yield.\n\nElectrochemical measurements were carried out on a CHI 660E electrochemical workstation (Shanghai CH Instruments). A two-electrode system was employed where Co-LDD@N-C (working electrode) and Pt sheet (counter electrode) were separated by 155 \u03bcm agarose hydrogel that contains 10 mm KOH. Linear sweep voltammetry (LSV) curves were recorded from 0.0 to -0.6 V vs RHE with a scan rate of 5 or 10 mV s-1. Cycling voltammetry (CV) curves were recorded at a scan rate of 10 mV s-1 between 0.0 and -0.6 V vs RHE. The kinetic parameters of ORR were determined by K-Kinetics software. Oxygen reduction reactions (ORRs) were performed in O2-saturated 0.1 M KOH electrolyte with a rotating rate of 1200 rpm. The half-wave potential (E1/2) was defined as the potential at which current density is one half of its maximum value. The electron transfer number (n) was calculated according to the modified Randles-Sevcik equation. Tafel analysis was conducted by linear fitting of the corresponding plots of \u03b7 vs log i. The Tafel slopes were obtained from the intercepts of the linear fits.",
+ "ground_truth": "Precursor synthesis: Similar to the synthesis of the nickel precursor, but using chromium(III) acetylacetonate (0.0623 mmol) and 1,10-phenanthroline monohydrate (0.1867 mmol) dissolved in ethanol (1.5 mL).\nSAC synthesis: The ball-milled powders pyrolyzed at 500 \u00b7 C for 2 h at a heat rate of 2 \u00b7 C/min. The obtained powders dispersed into distilled water (30 mL), followed by filtration and rinsing. The black residue re-dispersed into distilled water (10 mL), and freeze-drying for 12 h to obtain the final product, black and fluffy Cr-N-C powders."
+ },
+ {
+ "id": 547,
+ "sac_id": "Atom: Sc\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Sc\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,3-dicyanobenzene, melamine, and cyanuric acid were used as precursors. 50 mg of each precursor was mixed with 2 mL ethanol and deionized water in a ratio of 1:1. The mixture was thoroughly stirred for 6 h at room temperature to obtain a homogeneous solution. Subsequently, the solution was dried overnight at 80 \u00b0C using a rotary evaporator. The obtained solid powder was finely ground and transferred into a crucible for pyrolysis. Pyrolysis was performed at 700 \u00b0C for 4 h under an Ar flow of 100 mL min^-1. The as-obtained product was finely ground and soaked in 2 mol L^-1 H2SO4 at 80 \u00b0C for 24 h with continuous stirring. After washing the powder with deionized water several times, the final nitrogen-doped carbon material was obtained by freeze-drying.\nSciTech Connect Database: The nitrogen-doped carbon materials were characterized and stored in the SciTech Connect Database.",
+ "ground_truth": "Precursor synthesis: Similar to the synthesis of the nickel precursor, but using scandium(III) acetate hydrate (0.0623 mmol) and 1,10-phenanthroline monohydrate (0.1867 mmol) dissolved in ethanol (1.5 mL).\nSAC synthesis: The ball-milled powders pyrolyzed at 500 \u00b7 C for 2 h at a heat rate of 2 \u00b7 C/min. The obtained powders dispersed into distilled water (30 mL), followed by filtration and rinsing. The black residue re-dispersed into distilled water (10 mL), and freeze-drying for 12 h to obtain the final product, black and fluffy Sc-N-C powders."
+ },
+ {
+ "id": 548,
+ "sac_id": "Atom: Ti\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ti\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 0.28 g of titanium nitrate and 1 g of L-cysteine were dispersed in 5 mL of deionized water, followed by stirring for 3 h. Then, the mixture was transferred to a Teflon-lined autoclave at 180 \u00b0C for 4 h to obtain the precursors of Ti/S compounds. After drying overnight at 60 \u00b0C, the obtained solid powder was annealed at 700 \u00b0C under Ar flow for 2 h to yield Ti/S-N-C. The content of S in Ti/S-N-C can be adjusted by varying the amount of L-cysteine. For example, using 0.5 g or 1.5 g of L-cysteine can produce Ti/S-N-C with S contents of 0.9 wt% and 2.1 wt%, respectively.\nSynthesis of Ti/S-N-C electrocatalyst: 0.28 g of titanium nitrate and 1 g of L-cysteine were dispersed in 5 mL of deionized water, followed by stirring for 3 h. Then, the mixture was transferred to a Teflon-lined autoclave at 180 \u00b0C for 4 h to obtain the precursors of Ti/S compounds. After drying overnight at 60 \u00b0C, the obtained solid powder was annealed at 700 \u00b0C under Ar flow for 2 h to yield Ti/S-N-C. The content of S in Ti/S-N-C can be adjusted by varying the amount of L-cysteine. For example, using 0.5 g or 1.5 g of L-cysteine can produce Ti/S-N-C with S contents of 0.9 wt% and 2.1 wt%, respectively.",
+ "ground_truth": "Precursor synthesis: Similar to the synthesis of the nickel precursor, but using titanium(IV) isopropoxide (0.0623 mmol) and 1,10-phenanthroline monohydrate (0.1867 mmol) dissolved in ethanol (1.5 mL).\nSAC synthesis: The ball-milled powders pyrolyzed at 500 \u00b7 C for 2 h at a heat rate of 2 \u00b7 C/min. The obtained powders dispersed into distilled water (30 mL), followed by filtration and rinsing. The black residue re-dispersed into distilled water (10 mL), and freeze-drying for 12 h to obtain the final product, black and fluffy Ti-N-C powders."
+ },
+ {
+ "id": 549,
+ "sac_id": "Atom: Cu\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Cu\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: Copper acetate monohydrate (Cu(CH3COO)2\u00b7H2O, 1.05 g), polyvinylpyrrolidone (PVP, 1.0 g), and cyanuric acid (CA, 0.78 g) were dissolved in 100 mL of methanol by sonication for 15 min at room temperature. The mixed solution was stirred vigorously at room temperature for 12 h to obtain Copper acetate monohydrate-polyvinylpyrrolidone-cyanuric acid (CuAA-PVP-CA) precipitates. After drying at 60 \u00b0C overnight, the precursors were ground into a fine powder. A solid mixture of CuAA-PVP-CA and lithium acetate dihydrate (LiAc\u00b7H2O, 0.4 g) was heated at 900 \u00b0C with a heating rate of 5 \u00b0C min -1 under Ar flow and maintained at this temperature for 2 h. After washing with 6 M HCl solution at 90 \u00b0C for 12 h and further washing with deionized water several times, the obtained powders were dried at 60 \u00b0C overnight. Finally, the obtained samples were annealed at 900 \u00b0C for 2 h under Ar atmosphere.",
+ "ground_truth": "Precursor synthesis: Similar to the synthesis of the nickel precursor, but using copper(II) acetate monohydrate (0.0623 mmol) and 1,10-phenanthroline monohydrate (0.1867 mmol) dissolved in ethanol (1.5 mL).\nSAC synthesis: The ball-milled powders pyrolyzed at 500 \u00b7 C for 2 h at a heat rate of 2 \u00b7 C/min. The obtained powders dispersed into distilled water (30 mL), followed by filtration and rinsing. The black residue re-dispersed into distilled water (10 mL), and freeze-drying for 12 h to obtain the final product, black and fluffy Cu-N-C powders."
+ },
+ {
+ "id": 550,
+ "sac_id": "Atom: V\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: V\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,3,5-Tris(4-aminophenyl)benzene (72 mg, 0.2 mmol) and vanadium (V) oxide (10 mg) were dispersed in N, N-dimethylformamide (DMF, 10 mL) and then stirred for 24 h at 80 \u00b0C to obtain a black slurry. After that, the resulting sample was washed three times with water and ethanol and dried at 60 \u00b0C under vacuum overnight.\nS synthesis: The as-prepared V N3 precursor (20 mg), sodium thiosulfate (500 mg), and melamine (500 mg) were ground together using an agate mortar. The mixture was placed in a crucible and heated at 800 \u00b0C for 1 h with a heating rate of 5 \u00b0C min-1 under Ar gas protection. After cooling to room temperature, the product was washed with dilute hydrochloric acid (2 M) and deionized water for several times, and then dried at 60 \u00b0C under vacuum overnight.\nCharacterization: The samples were characterized by XRD, TEM, Raman spectroscopy, XPS, and EDS to evaluate their structure and morphology.",
+ "ground_truth": "Precursor synthesis: Similar to the synthesis of the nickel precursor, but using vanadium(III) acetylacetonate (0.0623 mmol) and 1,10-phenanthroline monohydrate (0.1867 mmol) dissolved in ethanol (1.5 mL).\nSAC synthesis: The ball-milled powders pyrolyzed at 500 \u00b7 C for 2 h at a heat rate of 2 \u00b7 C/min. The obtained powders dispersed into distilled water (30 mL), followed by filtration and rinsing. The black residue re-dispersed into distilled water (10 mL), and freeze-drying for 12 h to obtain the final product, black and fluffy V-N-C powders."
+ },
+ {
+ "id": 551,
+ "sac_id": "Atom: Co\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Co\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,3-dicyanobenzene and anhydrous FeCl3 were used as precursors.\nSynthesis: The 1,3-dicyanobenzene (0.5 g) and anhydrous FeCl3 (2.5 g) were mixed by grinding for 1 min. After that, the mixture was transferred to a crucible and heated in a muffle furnace at 220 \u00b0C for 4 h with a ramping rate of 2 \u00b0C min -1 under Ar flow. Then, the product was collected and washed with deionized water and ethanol several times to remove impurities. Subsequently, the sample was dried in a vacuum oven at 70 \u00b0C overnight. The obtained powder was further heat-treated at different temperatures from 600 to 900 \u00b0C for 2 h with a ramping rate of 5 \u00b0C min -1 under Ar flow. Finally, the black powders were washed with deionized water and ethanol several times to obtain Fe3C nanosheets, which were denoted as Fe3C@T\u00b0, where T = 600, 700, 800, and 900 \u00b0C.\nCharacterization: The XRD patterns of Fe3C@T\u00b0 were recorded on a Bruker D8 Advance diffractometer using Cu K\u03b1 radiation (\u03bb = 0.154 nm). SEM images were taken on a Zeiss Supra 55 field emission scanning electron microscope. EDX analysis was performed by EDAX. Raman spectra were measured using a Renishaw inVia Raman spectrometer equipped with a 532 nm laser. XANES measurements at the Fe L3 edge were carried out at the BL14B1 beamline of Shanghai Synchrotron Radiation Facility (SSRF), China. XAS including EXAFS and XANES of Co K edge were conducted at the Beijing Synchrotron Radiation Facility (BSRII), Institute of High Energy Physics, Chinese Academy of Sciences. The Co3O4 reference sample was purchased from Macklin Company. The Co3O4 powder was ground into powder and then pasted onto a quartz glass slide. The Co3O4 sample was also prepared by thermal treatment of cobalt acetylacetonate at 500 \u00b0C for 2 h under Ar flow.\nElectrochemical Measurements: For half-cell tests, working electrodes were fabricated by dropping 5 \u03bcL of 2 mg mL -1 ink onto a glassy carbon slide (area of 0.1 cm2). The electrolyte was 0.1 m KOH solution containing 50 \u03bcM Fe(III). After waiting for the ink drying naturally, the working electrode was immersed in the electrolyte. The counter electrode is Pt foil, and the reference electrode is Ag/AgCl electrode. Cyclic voltammetry (CV) was performed in the potential range from -0.8 to 0 V vs. reversible hydrogen electrode (RHE). Linear sweep voltammetry (LSV) was performed from 0 to -0.6 V vs. RHE with a scan rate of 5 mV s -1. Ultraviolet-visible (UV-Vis) diffuse reflectance spectroscopy (DRS) was recorded on a Shimadzu UV-3600 spectrophotometer. Electrochemical impedance spectroscopy (EIS) was tested by an EC-10-04 electrochemical workstation (Zahner, Germany) with a sinusoidal AC signal superimposed on the applied bias. The frequency ranged from 100 kHz to 1 Hz, and the amplitude was 10 mV. The half-cell polarization curves were converted to reversible hydrogen electrode (RHE) scale according to the following equation: E (RHE) = E (Ag/AgCl) + 0.197 V + 0.0591pH.",
+ "ground_truth": "Precursor synthesis: Similar to the synthesis of the nickel precursor, but using cobalt(II) acetate tetrahydrate (0.0623 mmol) and 1,10-phenanthroline monohydrate (0.1867 mmol) dissolved in ethanol (1.5 mL).\nSAC synthesis: The ball-milled powders pyrolyzed at 500 \u00b7 C for 2 h at a heat rate of 2 \u00b7 C/min. The obtained powders dispersed into distilled water (30 mL), followed by filtration and rinsing. The black residue re-dispersed into distilled water (10 mL), and freeze-drying for 12 h to obtain the final product, black and fluffy Co-N-C powders."
+ },
+ {
+ "id": 552,
+ "sac_id": "Atom: Fe\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Fe\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,3-dicyanobenzene and a 20 mol% Pd catalyst were pyrolyzed at 800 \u00b0C for 1 h under an Ar atmosphere. The obtained material was washed with 6 M HCl solution to remove metallic residues. After washing with deionized water and ethanol, the purified graphitic carbon nitride (g-C3N4) was dried in a vacuum oven at 80 \u00b0C overnight. g-C3N4 nanosheets were prepared by ball milling the bulk g-C3N4 for 15 min at a speed of 400 rpm.\nSAC synthesis: In a typical procedure, 0.75 mmol of FePc was dispersed in 10 mL of acetone to form a clear solution after ultrasonication for 30 min. Then, 0.9 g of cyanamide and 0.6 mL of glacial acetic acid were added into the above solution and stirred for 10 min. Afterward, the mixed solution was continuously stirred and irradiated under a 300 W Xe lamp for 24 h. Finally, the precipitate was collected by centrifugation, washed with ethanol, and dried in a vacuum oven at 80 \u00b0C overnight.\nN-C synthesis: A mixture of 0.75 mmol of FePc, 0.9 g of cyanamide, and 0.6 mL of glacual acetic acid was dispersed in 10 mL of acetone to form a clear solution after ultrasonication for 30 min. Subsequently, the mixed solution was heated to 120 \u00b0C and kept stirring for 24 h. Finally, the precipitate was collected by centrifugation, washed with ethanol, and dried in a vacuum oven at 80 \u00b0C overnight.",
+ "ground_truth": "Precursor synthesis: Similar to the synthesis of the nickel precursor, but using iron(III) acetylacetonate (0.0623 mmol) and 1,10-phenanthroline monohydrate (0.1867 mmol) dissolved in ethanol (1.5 mL).\nSAC synthesis: The ball-milled powders pyrolyzed at 500 \u00b7 C for 2 h at a heat rate of 2 \u00b7 C/min. The obtained powders dispersed into distilled water (30 mL), followed by filtration and rinsing. The black residue re-dispersed into distilled water (10 mL), and freeze-drying for 12 h to obtain the final product, black and fluffy Fe-N-C powders."
+ },
+ {
+ "id": 553,
+ "sac_id": "Atom: Ni\nSupport Material: Nitrogen-doped carbon (N-C)\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Thermo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Ni\nSupport Material: Nitrogen-doped carbon (N-C)\n\n",
+ "predicted": "Precursor synthesis: 1,3-dicyanobenzene, urea, and nickel nitrate were used as precursors.\n\nSynthesis of Ni-N-C: In a typical procedure, 1,3-dicyanobenzene, urea, and nickel nitrate with a molar ratio of 2:5:1 were mixed in ethanol under vigorous stirring. The mixture was then transferred into a Teflon-lined autoclave and heated at 180 \u00b0C for 6 h. After cooling to room temperature, the obtained product was washed with ethanol and vacuum dried at 70 \u00b0C for 12 h. The dried powder was calcined at 900 \u00b0C for 2 h under Ar flow (12 mL min -1 ) with a heating rate of 3 \u00b0C min -1. The obtained sample is denoted as Ni-N-C.",
+ "ground_truth": "Precursor synthesis: nickel(II) acetate hydrate (0.0623 mmol) and 1,10-phenanthroline monohydrate (0.1867 mmol) dissolved in ethanol (1.5 mL). The formed solution was sonicated for 30 min, and dropped into KCl powders (79.93 mmol), followed by the ball-milling for 2 h at a rotation speed of 400 rpm. The weight ratio of balls to powders was 2.6:1. An additional 1 mL of alcohol was added into the milled powders and milled for another 2 h at 200 rpm.\nSAC synthesis: The ball-milled powders pyrolyzed at 400 \u00b7 C, 500 \u00b7 C, 600 \u00b7 C, and 700 \u00b7 C for 2 h at a heat rate of 2 \u00b7 C/min. The obtained powders dispersed into distilled water (30 mL), followed by filtration and rinsing. The black residue re-dispersed into distilled water (10 mL), and freeze-drying for 12 h to obtain the final product, black and fluffy Ni-N-C powders. They were named according to the calcination temperature, namely Ni-N-C500 means 500 \u00b7 C."
+ }
+ ],
+ "Design-of-single-atom-metal-catalysts-on-various-supports-for-the-low-temperature-water-gas-shift-reaction": [
+ {
+ "id": 554,
+ "sac_id": "Atom: Au\nSupport Material: FeOx\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Au\nSupport Material: FeOx\n\n",
+ "predicted": "Precursor synthesis: The Au NP seeds were prepared by a modified seed-mediated growth method. [1] In detail, 0.2 mL of HAuCl4 (1 g/mL) was mixed with 8.8 mL of oleic acid (OA, 90%) and 1 mL of oleylamine (OLA, 90%) in a 20 mL glass vial. The mixture was heated at 120 \u00b0C for 30 min in an oil bath. Then, the mixture was transferred into a 10 mL glass vial, and 6 mL of 1,4,7-trioxaspiro[5.5]undecane-8,9-dione (SPU) in pyridine (100 mg/mL) was added. The mixture was heated at 200 \u00b0C for 30 min to grow sub-10 nm Au nanoparticles as seeds. After cooling down to room temperature, the products were collected by centrifugation and redispersed in hexane.\n\nST-MS Synthesis: For the synthesis of Au@FeOx nanocomposites, a one-pot solvothermal method was employed. [2] Typically, 1 mL of Au NP seeds solution (Au concentration: 1.8 mg/mL), 4 mL of 0.8 mmol/L Fe(NO3)3\u00b79H2O, 1 mL of 2 mmol/L sodium citrate, and 1 mL of 1 mmol/L OLA were mixed together in a 10 mL glass vial. The mixture was heated at 120 \u00b0C for 3 h in an oil bath to form Au@FeOx nanocomposites. After cooling down to room temperature, the products were collected by centrifugation and redispersed in ethanol.",
+ "ground_truth": "Precursor synthesis: The KLTL-zeolite (TOSOH, 500KOA, 0.25 wt.% Na2O and 16.8 wt.% K2O) is used after calcination in air at 400 \u00b0C for 10 h.\nSAC synthesis: In the Au/KLTL, 0.25 wt.% of gold was added by incipient wetness impregnation (IWI) method using water-soluble KAu(CN)2 as the precursor. The slurry was dried in vacuum at 80 \u00b0C for 72 h before calcination."
+ },
+ {
+ "id": 555,
+ "sac_id": "Atom: Pt\nSupport Material: Na-KLTL\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Na-KLTL\n\n",
+ "predicted": "Precursor synthesis: K2CO3 (0.1 M) and Li2CO3 (0.1 M) were dissolved in deionized water (15 mL). 1,4-benzenedicarboxylic acid was added to the solution until it was completely dissolved. The resulting solution was transferred into a Teflon-lined stainless steel autoclave and heated at 180 \u00b0C for 24 h. After cooling to room temperature, the solid product was collected by centrifugation, washed with deionized water and ethanol, and dried in air at 80 \u00b0C. The obtained white powder was calcined at 550 \u00b0C for 4 h with a ramp rate of 5 \u00b0C/min to obtain K-KLTL. Na-KLTL was prepared using the ion exchange method. K-KLTL (0.1 g) was immersed in an aqueous solution containing NaCl (0.01 M) and the mixture was stirred at 70 \u00b0C for 6 h. After that, the solid was separated from the solution by centrifugation, washed with deionized water and ethanol, and dried in air at 80 \u00b0C overnight.\n\nSynthesis: Pt/Na-KLTL was prepared using the impregnation method. Na-KLTL (0.01 g) was dispersed in aqueous ammonia solution (2 mL, 25%) under ultrasonication for 30 min. Then, chloroplatinic acid solution (0.1 mg ml\u22121, Pt) was added dropwise to the suspension while stirring vigorously. The mixture was kept stirring at room temperature for 24 h. Afterward, the solid was separated from the solution by centrifugation, washed with deionized water and ethanol, and dried in air at 80 \u00b0C overnight. The obtained sample was calcined at 400 \u00b0C for 4 h with a ramp rate of 5 \u00b0C/min to obtain Pt/Na-KLTL.",
+ "ground_truth": "SAC synthesis: The sodium-containing 0\u00b75Pt-Na-TiO2 sample was prepared by co-IWI of tetraammineplatinum (II) nitrate and sodium hydroxide. The designed loading for Pt was 0.5 wt.%, and the Pt:Na atomic ratio was 1:10. The impregnated powders were dried in vacuum at RT overnight, then calcined in static air at 400 \u00b0C for 4 h (heating rate 1 \u00b0C/min) to obtain what we denote as ' fresh ' catalysts."
+ },
+ {
+ "id": 556,
+ "sac_id": "Atom: Pt\nSupport Material: CeO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: CeO2\n\n",
+ "predicted": "Precursor synthesis: The Pt/CeO2 catalysts were prepared by incipient wetness impregnation using chloroplatinic acid as the precursor. After impregnation, the samples were dried at 110 \u00b0C for 12 h and calcined at 500 \u00b0C for 3 h with a heating rate of 5 \u00b0C min-1.\n\nCatalytic testing: The CO oxidation activities of the prepared catalysts were evaluated under the same conditions as mentioned above.",
+ "ground_truth": "SAC synthesis: The sodium-containing 0\u00b75Pt-Na-TiO2 sample was prepared by co-IWI of tetraammineplatinum (II) nitrate and sodium hydroxide. The designed loading for Pt was 0.5 wt.%, and the Pt:Na atomic ratio was 1:10. The impregnated powders were dried in vacuum at RT overnight, then calcined in static air at 400 \u00b0C for 4 h (heating rate 1 \u00b0C/min) to obtain what we denote as ' fresh ' catalysts."
+ },
+ {
+ "id": 557,
+ "sac_id": "Atom: Au\nSupport Material: Ce(La)Ox\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Au\nSupport Material: Ce(La)Ox\n\n",
+ "predicted": "Precursor synthesis: The Ce(La)Ox support was prepared by co-precipitation. Specifically, an aqueous solution of La(NO3)3 (0.15 M) and Ce(NO3)3 (0.85 M) was added dropwise to an aqueous solution of Na2CO3 (0.4 M). After stirring for 3 h, the precipitate was filtered and dried at 60 \u00b0C overnight. The resulting solid was calcined in static air at 700 \u00b0C for 5 h with a heating rate of 2 \u00b0C/min.\n\nCAT synthesis: A series of Au/Ce(La)Ox catalysts were prepared using a similar method. An aqueous solution of HAuCl4 (\u03b1 corresponding to the desired Au loading) was added dropwise to an aqueous suspension of the Ce(La)Ox support. After stirring for 3 h, the mixture was filtered and washed with deionized water. The obtained solid was dried at 60 \u00b0C overnight and then calcined in static air at 300 \u00b0C for 2 h with a heating rate of 2 \u00b0C/min.\n\nOther procedures: The CO oxidation activity test was performed in a fixed-bed reactor under atmospheric pressure. A quartz sleeve was used to isolate the catalyst from ambient air. Prior to the CO oxidation activity test, the catalysts were reduced in static air at 300 \u00b0C for 30 min, followed by cooling to room temperature. The CO oxidation activity test was conducted by alternately flowing pure CO and air over the catalyst. The CO conversion was measured by gas chromatography.",
+ "ground_truth": "Precursor synthesis: The KLTL-zeolite (TOSOH, 500KOA, 0.25 wt.% Na2O and 16.8 wt.% K2O) is used after calcination in air at 400 \u00b0C for 10 h.\nSAC synthesis: In the Au/KLTL, 0.25 wt.% of gold was added by incipient wetness impregnation (IWI) method using water-soluble KAu(CN)2 as the precursor. The slurry was dried in vacuum at 80 \u00b0C for 72 h before calcination."
+ },
+ {
+ "id": 558,
+ "sac_id": "Atom: Pt\nSupport Material: SiO2\nSynthesis Method: Vapour/Gas-phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: SiO2\n\n",
+ "predicted": "Precursor synthesis: The silica support was prepared by the St\u00f6ber method. [3H-1,2-benzodithiol (3 dBDT)] supported on silica was synthesized as described previously. [46]\n\nSynthesis of Pt1-S1/SiO2 and Pt1-Se1/SiO2: The same procedure as for Ru1-S1/SiO2 and Ru1-Se1/SiO2 was applied, except that 10 mg of PtCl4 supported on silica was used instead of 10 mg of RuCl3\u00b7xH2O.\n\nElectrochemical characterization of Pt1-S1/SiO2 and Pt1-Se1/SiO2: Cyclic voltammetry (CV) experiments were performed in an Ar-purged aqueous solution (0.5 M) of HAC containing 5 mm EDOT and 50 mm Bu4NCF3SO3 using a standard three-electrode cell with the modified Pt1-S1/SiO2 or Pt1-Se1/SiO2 working electrode, Ag/AgCl (in saturated KCl) reference electrode, and a Pt wire counter electrode. The potentials reported are versus SCE (standard hydrogen electrode). A scan rate of 100 mVs 1 was used.",
+ "ground_truth": "SAC synthesis: The sodium-containing 0\u00b75Pt-Na-TiO2 sample was prepared by co-IWI of tetraammineplatinum (II) nitrate and sodium hydroxide. The designed loading for Pt was 0.5 wt.%, and the Pt:Na atomic ratio was 1:10. The impregnated powders were dried in vacuum at RT overnight, then calcined in static air at 400 \u00b0C for 4 h (heating rate 1 \u00b0C/min) to obtain what we denote as ' fresh ' catalysts."
+ },
+ {
+ "id": 559,
+ "sac_id": "Atom: Au\nSupport Material: TiO2\nSynthesis Method: Photochemical\nCatalysis Type: Photo\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Au\nSupport Material: TiO2\n\n",
+ "predicted": "Precursor synthesis: The 1 wt% Au/TiO2 catalyst was prepared by a wet impregnation method. Typically, 0.057 g HAuCl4\u00b74H2O (0.098 mmol) and 3.65 g H2C2O4 (45.0 mmol) were dissolved in 10 mL deionized water to form a homogeneous solution. Then, 1.0 g TiO2 nanopowder (20 nm, P-25, NM, USA) was added into the above solution and stirred for 1 h at room temperature. Afterward, the mixture was dried at 60 \u00b0C overnight. Finally, the dried powder was calcined at 400 \u00b0C for 4 h with a heating rate of 5 \u00b0C min-1 under air flow (100 mL min-1). For comparison, the pure TiO2 sample was also prepared by the same procedure without adding HAuCl4\u00b74H2O.",
+ "ground_truth": "Precursor synthesis: The KLTL-zeolite (TOSOH, 500KOA, 0.25 wt.% Na2O and 16.8 wt.% K2O) is used after calcination in air at 400 \u00b0C for 10 h.\nSAC synthesis: In the Au/KLTL, 0.25 wt.% of gold was added by incipient wetness impregnation (IWI) method using water-soluble KAu(CN)2 as the precursor. The slurry was dried in vacuum at 80 \u00b0C for 72 h before calcination."
+ },
+ {
+ "id": 560,
+ "sac_id": "Atom: Pt\nSupport Material: MWNT\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: MWNT\n\n",
+ "predicted": "Precursor synthesis: The Pt(acac)2 precursor (Alfa Aesar, 98%) was dissolved in DMSO (Acros Organics, 99.5%, distilled before use).\n\nMDMP synthesis: The solution of Pt(acac)2 in DMSO was added dropwise to a suspension of MWNT (Carbon Nanotubes Inc., type \"Bucky Paper\", purified by Soxhlet with acetone and toluene) in DMSO (10 mg cm^-2, 3 h sonication under Ar). The resulting dispersion was stirred for 24 h at room temperature, centrifuged at 6000 rpm for 5 min, and dried on a hot plate at 100 \u00b0C under Ar flow. The obtained sample was then reduced in H2/Ar (10 vol.%) at 200 \u00b0C (heating rate 10 \u00b0C min^-1) for 30 min.\n\nCharacterization: The samples were characterized using XPS (Kratos AXIS ULTRA DLD), TEM (JEOL JEM-2100F), and Raman spectroscopy (Renishaw inVia Revelation).",
+ "ground_truth": "SAC synthesis: The sodium-containing 0\u00b75Pt-Na-TiO2 sample was prepared by co-IWI of tetraammineplatinum (II) nitrate and sodium hydroxide. The designed loading for Pt was 0.5 wt.%, and the Pt:Na atomic ratio was 1:10. The impregnated powders were dried in vacuum at RT overnight, then calcined in static air at 400 \u00b0C for 4 h (heating rate 1 \u00b0C/min) to obtain what we denote as ' fresh ' catalysts."
+ },
+ {
+ "id": 561,
+ "sac_id": "Atom: Pt\nSupport Material: Na-[Si]MCM41\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Na-[Si]MCM41\n\n",
+ "predicted": "Precursor synthesis: The silica source was added to a solution of H2PtCl6 in acetone. The solvent was removed by evaporation, and the resulting solid was calcined at 550 \u00b0C to produce Pt/Na-[Si]MCM41.",
+ "ground_truth": "SAC synthesis: The sodium-containing 0\u00b75Pt-Na-TiO2 sample was prepared by co-IWI of tetraammineplatinum (II) nitrate and sodium hydroxide. The designed loading for Pt was 0.5 wt.%, and the Pt:Na atomic ratio was 1:10. The impregnated powders were dried in vacuum at RT overnight, then calcined in static air at 400 \u00b0C for 4 h (heating rate 1 \u00b0C/min) to obtain what we denote as ' fresh ' catalysts."
+ },
+ {
+ "id": 562,
+ "sac_id": "Atom: Pt\nSupport Material: Na-TiO2\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Pt\nSupport Material: Na-TiO2\n\n",
+ "predicted": "Precursor synthesis: TiO2 (P25) and NaOH were used as support and precipitant, respectively.\nSIP Synthesis: 1 g of TiO2 powder was dispersed in 50 mL of 0.1 M NaOH solution under magnetic stirring for 30 min. The suspension was transferred to a Teflon-lined autoclave and heated at 220 \u00b0C for 72 h with a ramping rate of 5 \u00b0C/min. After cooling down to room temperature naturally, the obtained precipitates were collected by centrifugation at 8000 rpm for 5 min, washed several times with deionized water, and dried at 60 \u00b0C overnight. The obtained Na-TiO2 powder (0.5 g) was mixed with 0.05 M H2PtCl6 solution (500 mL), and the resulting suspension was sonicated for 1 h before being refluxed at 90 \u00b0C for 48 h. Afterward, the suspension was cooled down to room temperature and then centrifuged at 8000 rpm for 5 min. The obtained powder was washed thoroughly with deionized water and ethanol, and then dried at 60 \u00b0C overnight. Finally, the obtained sample was calcined in air at 400 \u00b0C for 4 h with a ramping rate of 5 \u00b0C/min. Samples without Pt loading were prepared following the same procedure except that no H2PtCl6 was added.",
+ "ground_truth": "SAC synthesis: The sodium-containing 0\u00b75Pt-Na-TiO2 sample was prepared by co-IWI of tetraammineplatinum (II) nitrate and sodium hydroxide. The designed loading for Pt was 0.5 wt.%, and the Pt:Na atomic ratio was 1:10. The impregnated powders were dried in vacuum at RT overnight, then calcined in static air at 400 \u00b0C for 4 h (heating rate 1 \u00b0C/min) to obtain what we denote as ' fresh ' catalysts."
+ },
+ {
+ "id": 563,
+ "sac_id": "Atom: Au\nSupport Material: Na/[Si]MCM41\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Au\nSupport Material: Na/[Si]MCM41\n\n",
+ "predicted": "Precursor synthesis: The silica substrate used in this work was prepared according to the literature. [20,21] A typical procedure is as follows: Tetraethyl orthosilicate (TEOS, 5.8 mL, 30 mmol) and anhydrous ethanol (26 mL) were mixed together. Amityl imidazole (0. 5 mL, 6 mmol) was dissolved into anhydrous ethanol (7 mL), and then added dropwise to the above mixture under stirring at room temperature for 1 h. Subsequently, NH /P C 4 H /C 9 9 O 4 (1.5 mL, 6 mmol) was added to the mixture and stirred for 1 h. The obtained mixture was transferred to a 50 mL Teflon-lined stainless steel autoclave and heated at 100 /C14 C for 24 h. After cooling to room temperature, the white solid product was collected by centrifugation with ethanol, dried at 80 /C14 C overnight. Silica nanoparticles were grafted onto the surface of MCM41 by a modified St /C0 1 -method. [22] Typically, silica nanoparticles (200 mg) were dispersed in a solution containing n-hexane (8 mL) and aqueous NaOH solution (1 mL, 0. 2 mol L /C0 1 ). After stirring for 30 min, aqueous P123 (300 mg) was added to the above solution and stirred for another 30 min. Then, aqueous TEOS (1 mL, 0. 4 mol L /C0 1 ) was added to the above solution dropwise and stirred for 24 h. The resulting product was collected by centrifugation with water, dried at 80 /C14 C overnight. The SiO2/P123 nanocomposites were calcined at 550 /C14 C for 6 h in a muffle oven with a ramp rate of 1 /C14 C min /C0 1 to obtain SiO2@MCM41 nanocomposites.\n\nThe SiO2@MCM41 nanocomposites were functionalized by a modified literature method. [23] Briefly, the as-prepared SiO2@MCM41 nanocomposites (200 mg) were dispersed in a solution containing acetone (10 mL) and NaOH (0. 2 mL, 1 mol L /C0 1 ). After stirring for 30 min, a solution containing DDQ (1.2 g, 5.5 mmol) in acetone (5 mL) was added to the above solution and stirred for 2 h. The resulting product was collected by centrifugation with acetone, washed several times with DI water until the supernatant became neutral, and dried at 80 /C14 C overnight. Finally, the SiO2@MCM41 nanocomposites were functionalized with NH2 groups by a modified literature method. [24] Briefly, the as-functionalized SiO2@MCM41 nanocomposites (100 mg) were dispersed in a solution containing pyridine (10 mL). After stirring for 30 min, a solution containing APTMS (0. 5 mL) in pyridine (0. 5 mL) was added to the above solution and stirred for 24 h. The resulting product was collected by centrifugation with pyridine, washed several times with acetone until the supernatant became clear, and dried at 80 /C14 C overnight.\n\nSynthesis of SiO2@MCM41@Au: The SiO2@MCM41@Au composites were fabricated by a modified literature method. [25] In brief, the as-functionalized SiO2@MCM41 nanocomposites (100 mg) were dispersed in a solution containing HAuCl4 \u00b7 4H2O (10 mL, 0. 01 mol L /C0 1 ). After stirring for 30 min, a solution containing NaBH4 (0. 1 g) in DI water (5 mL) was added to the above solution and stirred for 2 h. The resulting product was collected by centrifugation with DI water, washed several times with ethanol until the supernatant became clear, and dried at 80 /C14 C overnight.",
+ "ground_truth": "Precursor synthesis: The KLTL-zeolite (TOSOH, 500KOA, 0.25 wt.% Na2O and 16.8 wt.% K2O) is used after calcination in air at 400 \u00b0C for 10 h.\nSAC synthesis: In the Au/KLTL, 0.25 wt.% of gold was added by incipient wetness impregnation (IWI) method using water-soluble KAu(CN)2 as the precursor. The slurry was dried in vacuum at 80 \u00b0C for 72 h before calcination."
+ },
+ {
+ "id": 564,
+ "sac_id": "Atom: Au\nSupport Material: KLTL\nSynthesis Method: Hybrid high temperature solution phase\nCatalysis Type: Electro\n",
+ "input": "<|system|>\nYou are a helpful assistant. Given the following information, provide the user with a procedure to synthesise a Single Atom Catalyst (SAC).\n<|user|>\nAtom: Au\nSupport Material: KLTL\n\n",
+ "predicted": "Precursor synthesis: 1.5 g of lactose was dissolved in 30 mL of deionized water containing 2 drops of concentrated HCl under continuous stirring at 80 \u00b0C until dry. Then, the mixture was heated to 140 \u00b0C with a heating rate of 1.67 \u00b0C\u00b7min -1 and kept for 1 h to obtain a pale yellow powder. Next, 0.3 g of Au(III) acetylacetonate was added into the above-prepared pale yellow powder and mixed homogeneously. Subsequently, the obtained mixture was heated up to 200 \u00b0C with a heating rate of 2 \u00b0C\u00b7min -1 and maintained for 2 h under nitrogen flow (flow rate: 100 mL\u00b7min -1 ). After cooling down to room temperature, the resultant product was ground into fine powder and denoted as Au/KLTL.\nSynthesis of Au/KLTL: The preparation process is similar to the precursor synthesis, but the final step involves adding 0.3 g of Au(III) acetylacetonate to the mixture.",
+ "ground_truth": "Precursor synthesis: The KLTL-zeolite (TOSOH, 500KOA, 0.25 wt.% Na2O and 16.8 wt.% K2O) is used after calcination in air at 400 \u00b0C for 10 h.\nSAC synthesis: In the Au/KLTL, 0.25 wt.% of gold was added by incipient wetness impregnation (IWI) method using water-soluble KAu(CN)2 as the precursor. The slurry was dried in vacuum at 80 \u00b0C for 72 h before calcination."
+ }
+ ]
+ }
+}
\ No newline at end of file