diff --git "a/src/for_experiments_prediction/no-lora/multi-base/predicted_vs_gt.json" "b/src/for_experiments_prediction/no-lora/multi-base/predicted_vs_gt.json" new file mode 100644--- /dev/null +++ "b/src/for_experiments_prediction/no-lora/multi-base/predicted_vs_gt.json" @@ -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: Medium temperature coal tar pitch (C 92.2 wt%, H 4.6 wt%, N 1.1 wt%, O 2.1 wt% (by difference)) was supplied by Maanshan Iron & Steel Co., Ltd. Nickel (II) Chloride Hexahydrate (NiCl2\u00b76H2O), urea, sodium chloride (NaCl), ethanol absolute, nitric acid, Nafion solution (5.0 wt%), Nafion\u00ae 117 membranes, and deionized water were obtained from Sinopharm Chemical Reagent Co., Ltd., Sigma-Aldrich, and Hefei Jingchun Water Sales Co., Ltd., respectively.\nSAC synthesis: Ni/Ni-N-C-800 sample was prepared by the same synthesis route as that for NiO/Ni-N-C-800, except without nitric acid leaching and oxidation.", + "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, Co(NO3)2\u00b76H2O, and acetylacetonate salts of different metals (Ni, Fe, Cu, Mn) were dissolved in a mixed solution of ethanol and methanol. 2-methylimidazole was dissolved in another mixed solution of ethanol and methanol. Solution A (containing metal salts) was added to NaCl and mixed, followed by drying at 70\u00b0C for 8 h. Solution B (containing 2-methylimidazole) was added to the mixture and stirred at 80\u00b0C for 2 h to precipitate ZIF-8. The product was collected by centrifugation, washed with alcohol, and dried at 60\u00b0C for 10 h.\nSAC synthesis: The as-synthesized ZIF-8@metal powder was used directly as the Co single-atom (SAC)/N-doped carbon (N-C) catalyst.", + "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: 2.0 g of 2-methylimidazole and 200 mg phenanthroline (Phen) were dissolved in 40 mL methanol to form a clear solution at 60 \u2103 in a reflux system. 60 mg of iron nitrate nonahydrate (Fe(NO3)3\u00b79H2O) and 1.8 g zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O) were dissolved in 10 mL methanol to form a transparent solution. The two solutions were mixed and stirred for 24 h at room temperature. The precipitate was collected by centrifugation, washed with methanol several times, and dried in a vacuum oven at 60 \u2103 overnight to obtain the Fe-ZIF-8/Phen precursor.\nSAC synthesis: The as-obtained powder of Fe-ZIF-8/Phen precursors was loaded into a ceramic boat and placed in a tube furnace. The sample was heated to 950 \u2103 with a heating rate of 5 \u2103 min -1 and kept at 950 \u2103 for 3 h under flowing argon gas. The obtained black powder was named Fe-N-C/Phen.", + "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: 0.6 g melamine, 1.5 g L-Cysteine, and 15 mg copper chloride dihydrate were first grounded into a homogeneous precursor by ZrO2 mortar ball for 2 h. 10 mL mixed solution of ethanol and hydrochloric acid (volume ratio 5:1) was added. The slurry continued to be grinded until the ethanol evaporated. The mixture was dried in an oven at 80 \u00b0C and ball milled again for 20 min. SAC synthesis: The fine powder mixture was subjected to a two-stage pyrolysis and carbonization process at the N2 atmosphere (first stage: from 25\u00b0C to 550 \u00b0C, maintain at 550 \u00b0C for 2 h, then heated to 800 \u00b0C for 120 min). The heating rate of the whole process at a rate of 2 \u00b0C/min. After cooling down to room temperature, the product was leached at 80 \u00b0C in 0.5 M H2SO4 to remove the unstable species.", + "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: A 1:1 (mol/mol) mixture of FeCl3\u00b76H2O (Sigma-Aldrich, 99.9%) was dissolved in deionized water. This solution was added to a specific mass of holey graphene dispersed in ethanol and ultrasonicated for 30 min. Following drying in a vacuum oven, the resulting powder was annealed at 900 \u00b0C for 2 h, with a ramp rate of 5 \u00b0C/min under an argon atmosphere. The sample was then acid washed (1.0 M H2SO4) at 90 \u00b0C for 6 h, washed with deionized water, and dried, obtaining Fe-N,S-HG.", + "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: Iridium(III) acetylacetonate (97%) was dissolved in Ethanol (C2H6O, 99%) to achieve a concentration of 1.5 mmol/L.\nSAC synthesis: ZrO2-based catalysts were prepared via sol-gel method. Ethanol (C2H6O, 99%) was initially refluxed for 15 min. Aluminum trisec-butoxide (Al(OC3H7)3, 98%) was added and kept under mild stirring for 1 h. HNO3 (65%, 99%) was added dropwise under continuous stirring, producing colorless precipitates. The solution was cooled to room temperature and additional H2O was added to make the final molar ratio of ethanol, water, and metal precursors equal to 1.5. Polyvinylpyrrolidone (PVP, 10 kDa) was used as a templating agent. The solution was then treated with iridium acetylacetonate (Ir(C10H14O4)3, 97%) at a concentration of 1.5 mmol/L. The resulting mixture was stirred at room temperature for 24 h. Deionized water was slowly added to form a final molar ratio of 1.5. The gel was transferred into a Teflon-lined autoclave and heated at 120 \u00b0C for 24 h. The resulting solid was isolated by filtration and dried overnight at 100 \u00b0C in an oven. Finally, the solid was calcined at 400 \u00b0C for 3 h in static air. Metal content was measured by Inductively Coupled Plasma (ICP) analysis.", + "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: 0.2 g glucose, 2 g dicyandiamide, and the same moles of Nickel chloride hexahydrate (NiCl3\u00b76H2O) as Cobalt chloride hexahydrate (CoCl3\u00b76H2O) were dispersed in 70 mL deionized water and stirred for 12 h to get a homogeneous solution.\nSAC synthesis: The solution was quickly frozen by liquid nitrogen and freeze-dried in a freeze dryer with vacuum. Afterward, the resultant powders were pyrolyzed at 550 \u00b0C for 2 h and 800 \u00b0C for 2 h under a flowing Ar atmosphere. The as-obtained product was denoted as Ni SAs/AC@NG.", + "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: 200 mg of multi-walled carbon nanotubes (MCNT, Nanostructured & Amorphous Materials, USA) were dispersed in 50 mL of N, N-dimethylformamide (DMF, Sigma Aldrich, USA) by ultrasonication for 30 min. 100 mg of nickel acetate tetrahydrate (Ni(OAc)2\u00b74H2O, Sigma Aldrich, USA) was added to the MCNT/DMF solution and the mixture was sonicated for another 30 min. The mixture was stirred at room temperature for 24 h. The precipitate was collected by centrifugation and washed with DMF four times (30 mL \u00d7 4), then with ethanol four times (30 mL \u00d7 4), and finally dried under vacuum overnight.\nSAC synthesis: The Ni-MCNT/DMF powder was placed in a tube furnace under vacuum (~1 \u00d7 10^-4 Pa) and heated to 700 \u00b0C at a rate of 5 \u00b0C/min under an Ar flow (100 sccm). After holding at 700 \u00b0C for 5 h, the sample was allowed to naturally cool down to room temperature. The resulting black powder is the final product.", + "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: 10.5 mg H2NiCl6\u00b76H2O, 30.0 mg Ketjenblack EC-300JD, and 40.0 mg Ketjenblack EC-600JD were ultrasonically mixed in 15 mL ethanol for 30 min to obtain a black mixture solution. The obtained mixture was dried at 80 \u00b0C under vacuum. Then, the produced powder was annealed at 900 \u00b0C under Ar atmosphere for 2 h to obtain a black powder. Finally, the Ni-N-C catalyst was obtained by refluxing the black powder in 0.5 M H2SO4 at 80 \u00b0C for 12 h.", + "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: 10.5 mg CTAB and 34.2 mg iron(III) 2,4-pentanedionate powder were added into 20 ml acetonitrile for 15 minutes stirring to form a clear solution firstly, then 260 \u03bcL pyrrole, with 35 wt% 2,4-dimethylbenzenethiol as the nitrogen source, was injected into the prepared solution to form a red solution. After 10h stirring under room temperature, a black colloidal solution was obtained. The resulting black PPy precipitate was centrifuged and washed with water several times and dried in vacuum at 30 \u00b0C for 10 h.\nSAC synthesis: Firstly, 0.2 g PPy powder was dispersed in 20 ml carbon tetrachloride (CTD) to form a uniform dispersion, then 0.3 mL Ni(ac)2\u00b74H2O (10 mg/mL) was added into the dispersion and kept stirring for 12 h. The resulting mixture was centrifuged and washed with ethanol several times and dried in vacuum at 30 \u00b0C overnight. Then the dry powder 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. Then the resulting black powder was centrifuged and washed with 0.5M hydrochloric acid to remove metal particles or clusters, finally the sample was centrifuged and washed with deionized water several times and dried in vacuum at 30 \u00b0C.", + "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: 200 mg of multi-walled carbon nanotubes (MCNTs) and 500 mg of melamine were added into 120 mL of a mixture solvent of ethanol and water with a volume ratio of 1:1 for sonicating 1 hour. 25 mg NiPc was added into 3 mL of ethanol for sonicating 0.5 hour. 140 \u03bcL of the NiPc solution was added dropwise in the MCNTs-melamine solution with stirring. After stirring the solution for 24 hours, the precipitates were cleaned by ethanol, dried at 333 K, and annealed at 1273 K in Ar for 1 hour. Finally, the sample was immersed in 0.5 M H2SO4 at 353 K for 12 hours to remove metallic Ni particles, cleaned by ethanol, and dried in vacuum.\nSAC synthesis: The dried and annealed sample was used as the N4Ni1O1/CNTs catalyst.", + "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: 200 mg of multi-walled carbon nanotubes (MCNTs) and 500 mg of melamine were added into 120 mL of a mixture solvent of ethanol and water with a volume ratio of 1:1 for sonicating 1 hour. 25 mg NiPc was added into 3 mL of ethanol for sonicating 0.5 hour. 140 \u03bcL of the NiPc solution was added dropwise in the MCNTs-melamine solution with stirring. After stirring the solution for 24 hours, the precipitates were cleaned by ethanol, dried at 333 K, and annealed at 1273 K in Ar for 1 hour. Finally, the sample was immersed in 0.5 M H2SO4 at 353 K for 12 hours to remove metallic Ni particles, cleaned by ethanol, and dried in vacuum.\nSAC synthesis: The dried and annealed sample was used as the N4Ni1O1/CNTs catalyst.", + "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: First, 10 g of sodium acetate was added into 20 mL of porous silica suspension (100 mL, 30 nm particle size, Aladdin Chemical Reagent Co., Ltd.). The mixture was stirred for 2 h at room temperature. Then, the suspension was dried in an oven at 120 \u00b0C for 12 h. Acid leaching was performed by adding 20 mL of 9 M HCl solution to the dried powder. The mixture was stirred overnight and then filtered to remove residue. The obtained powder was dried in a vacuum oven at 60 \u00b0C for 5 h.\nSAC synthesis: For comparison, SA-Fe/C catalysts were prepared using sodium acetate as the carbon source and acid leaching with different volumes of HCl solution.", + "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: Typically, 2-methylimidazole (1.68 g, 20 mmol) was dissolved in 40 mL methanol with stirring in flask A. Zn(NO3)2\u00b76H2O (1.19 g, 4 mmol), Fe(acac)3 with a certain molar ratio were dissolved in 40 mL methanol with stirring in flask B (the Fe molar-amount compared with Zn was 6%). Then, flask A was subsequently added into flask B. The mixed solution was subsequently kept at room temperature for 24 h. The obtained product was separated by centrifugation and washed subsequently with methanol for several times, and dried in an oven at 70 \u00b0C overnight.\nSAC synthesis: Finally, the powder of Fe(acac)3-ZIF-8 was transferred into a ceramic boat and placed in a tube furnace. The sample was heated to 950 \u00b0C with a heating rate of 2 \u00b0C min-1 and kept at 950 \u00b0C for 3 h under flowing argon gas and then naturally cooled to room temperature. Then, the as-obtained powder was further diluted with HCl to remove metal particles.", + "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: Reduced graphene oxide (RGO) foam was prepared from GO suspension (0.9 mg mL^-1, 80 mL) through a hydrothermal method in a Teflon-lined stainless-steel autoclave (100 mL). The resulting RGO foam hydrogel was freeze-dried to obtain the final RGO foam. Subsequently, the RGO foam was soaked into an aqueous solution (30 mL) containing 4.5 mg of CoCl2\u00b76H2O and 5.2 mg of NiCl2\u00b76H2O for 12 h to facilitate the absorption of Co and Ni species. Afterward, the foam was freeze-dried for 48 h and was then annealed at 900 \u00b0C (heating rate: 5 \u00b0C min^-1) for 1 h under an Ar atmosphere.\nSAC synthesis: The CoNi-N-rGO electrode was obtained after cooling down naturally.", + "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: Reduced graphene oxide (RGO) foam was prepared from GO suspension (0.9 mg mL^-1, 80 mL) through a hydrothermal method in a Teflon-lined stainless-steel autoclave (100 mL). The resulting RGO foam hydrogel was freeze-dried to obtain the final RGO foam. Subsequently, the RGO foam was soaked into an aqueous solution (30 mL) containing 4.5 mg of CoCl2\u00b76H2O and 5.2 mg of NiCl2\u00b76H2O for 12 h to facilitate the absorption of Co and Ni species. Afterward, the foam was freeze-dried for 48 h and was then annealed at 900 \u00b0C (heating rate: 5 \u00b0C min^-1) for 1 h under an Ar atmosphere.\nSAC synthesis: The CoNi-N-rGO electrode was obtained after cooling down naturally.", + "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: ZIF-67 Nanocubes were synthesized by a surfactant-mediated method reported previously.\nSAC synthesis: Synthesized by a similar procedure as that described for the preparation of Pt-Co3O4/ZIF-67, except that 0.25 mL (1.8 mmol) of H2PtCl6 solution (37.5 mol% Pt, Co(NO3)2\u00b76H2O: H2O = 9:1) was used instead of 0.25 mL (1.8 mmol) of H2O2 solution.", + "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: 10 mg cobalt(II) acetate was added in 3 mL ethanol. 20 mg 1,10-phenanthroline monohydrate was dissolved in 1 mL ethanol. The phenanthroline solution was slowly dropped into the cobalt(II) acetate solution with stirring. The mixed solution was refluxed at 80 \u00b0C for 4 h. The precipitate was separated by centrifugation and dried in vacuum at 60 \u00b0C for 5 h.\nSAC synthesis: Graphene was prepared according to a previous report (J. Am. Chem. Soc., 2011, 133, 8888). The precipitate was thoroughly ground with urea at the mass ratio of 1:10. The obtained powder was heated to 900 \u00b0C under Ar flow (100 sccm) in a tube furnace and maintained at this temperature for 2 h. After cooling down to room temperature, the resulting dark powder was collected and ground for further use.", + "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: 0.2 g glucose, 2 g dicyandiamide, and the same moles of Cobalt chloride hexahydrate (CoCl2\u00b76H2O) as Nickel chloride hexahydrate (NiCl2\u00b76H2O) were dispersed in 70 mL deionized water and stirred for 12 h to get a homogeneous solution.\nSAC synthesis: The solution was quickly frozen by liquid nitrogen and freeze-dried in a freeze dryer with vacuum. Afterward, the resultant powders were pyrolyzed at 550 \u00b0C for 2 h and 800 \u00b0C for 2 h under a flowing Ar atmosphere. The as-obtained product was denoted as Co SAs/AC@NG.", + "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: 10 g of urea was put into a covered crucible and heated to 600 \u00b0C at a ramp rate of 5 \u00b0C/min in muffle furnace. It was maintained at this temperature for an additional 2 h. After being cooled down, the resultant powders (about 500 mg) were ultrasonicated with deionized water, collected by filtration, and finally dried under vacuum at 60 \u00b0C. An aqueous solution of g-C3N4 (approximately 3 mg mL^-1) was prepared. 10 mL of the g-C3N4 aqueous solution was mixed with 10 mL of methanol, and then 25 mg of HAuCl4\u00b72H2O was added. The mixture was stirred continuously overnight. The obtained precipitates were centrifuged and washed with ethanol three times. The products were dried in a vacuum oven at 60 \u00b0C overnight. The sample was further calcined in Ar atmosphere at 400 \u00b0C for 2 h. The resulting sample is designated as SA-Au/CN@g-C3N4.\nSAC synthesis: In a typical procedure, 100 mg of SA-Au/CN@g-C3N4 was mixed with 10 mL of methylene chloride or acetone. The mixture was sonicated for 30 min and stirred continuously overnight. The precipitates were collected by centrifugation and further dried under vacuum at 60 \u00b0C. The samples were subjected to high-temperature annealing at 900 \u00b0C for 2 h under Ar atmosphere. The resulting samples are designated as SA-Au/CN@g-C3N4-X, where X represents the annealing temperatures.", + "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: 1.5 g of arginine acetate was dissolved in 20 mL of ultrapure water with the assistance of stirring at 80 \u00b0C. 1.0 mL of 49% H2O2 solution was added dropwise into the above solution under stirring. After reacting for 6 h, the solid precipitate was collected by centrifugation and washed several times with ultrapure water to remove residuals. The obtained solid was dried overnight at 60 \u00b0C in a vacuum oven. 1.0 g of the dried powder was heated in a tube furnace at 300 \u00b0C for 2 h with a ramp rate of 2 \u00b0C/min under flowing N2 gas. The final product labeled as NC(A) was collected after cooling down to room temperature.\nSAC synthesis: The Fe element was prepared under the same condition but additionally mixed with 10 mg of iron nitrate nonahydrate. The mixture was first ball-milled for 10 min and then heated in a tube furnace at 900 \u00b0C for 2 h with a ramp rate of 2 \u00b0C/min under flowing N2 gas. The final product was labeled as FeSA@NC(A).", + "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: 20.0 g of PEO-50000, 0.18 g of iron(III) nitrate nonahydrate, and 0.2 g of Vulcan XC72R were dissolved in 100 mL of methanol. 0.5 M HCl solution was bubbled into the mixed solution for 30 min. The mixed solution was refluxed at 80 \u00b0C under N2 atmosphere. The precipitate was collected by centrifugation and dried overnight at 60 \u00b0C in a vacuum oven.\nSAC synthesis: The precipitate was further calcined at 950 \u00b0C for 3 h under N2 atmosphere.", + "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 nanocube CeO2 support, dominated by (100) facets, was hydrothermally synthesized in Teflon-lined stainless steel autoclaves as previous report. [1]\nSAC synthesis: Pd/3DOM-CeO2 catalysts were prepared by incipient wetness impregnation using Pd(NH3)4(NO3)2 solution followed by calcination at 500 \u00b0C for 6 h under air. Pd loadings of 1.0 wt% and 0.5 wt% were achieved by adjusting the concentration of Pd(NH3)4(NO3)2 solution.", + "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: 1.25 g polyacrylonitrile (PAN) was dissolved into 25 mL of N, N-dimethyl formamide (DMF) at room temperature to form a homogeneously dispersed solution via continuous mechanical stirring overnight. The mixture solution was loaded into a plastic syringe (20 mL) with a stainless-steel needle (0.5 mm diameter), which was connected to a positive voltage power supply, while a rolling Al foil roller with a distance of 20 cm to the mental needle was set as the negative collector. The electrospinning was conducted at 25 kV with an injecting rate of 0.7 mL h -1 at 30 o C. The as-obtained polymer membrane was soaked in 1.2 wt.% 2-methylimidazole (MeIM)/methanol solution for 2 h, followed by the addition of 2.5 wt.% Zn(NO3)2/methanol solution, and remained stationary for 24 h to form ZIF-8/PAN composite precursor.\nSAC synthesis: The dried ZIF-8/PAN composite precursor was pyrolyzed through a two-stage heating process: pre-oxidation was initial executed at 250 o C for 2 h in air atmosphere at a heating rate of 1 o C min -1, followed by a thermal annealing process in N2 atmosphere at 900 o C for 2 h at a heating rate of 3 o C min -1.", + "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: 2.9 g Zn(NO3)2\u00b76H2O was dissolved in 150 mL methanol to prepare solution A. 9.6 g 2-methylimidazole was dissolved in 150 mL methanol to prepare solution B. Solution A was added to solution B and kept stirring for 12 h at room temperature. After centrifugation, the final product was dried at 60 \u00b0C for 5 h. 100 mg ZIF-8 was added into 50 mL methanol solution containing 100 mg phytic acid solution, which was stirred in an oil bath at 45 \u00b0C for 2 h. After filtration, the black solid was placed in an oven at 60 \u00b0C and dried for 8 h. Then, the black solid was heated at 950 \u00b0C for 30 min in a tubular furnace with a heating rate of 5 \u00b0C min-1 under flowing Ar atmosphere. After cooling to room temperature, the product ZnN4/P-C 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." + }, + { + "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: 20 mg of ZnO was dispersed in 50 mL of ethanol by sonication. 10 mL of H2O containing 45 mg of dopamine hydrochloride was added into the above solution and stirred for 12 h at room temperature. The products were obtained by centrifugation, washing with DI water/ethanol, and drying under vacuum at 60 \u00b0C for 12 h.\nSAC synthesis: The powder of Zn-NDA 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 3 h under flowing argon gas and then naturally cooled to room temperature. The final product of Zn-NDA-NC 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." + }, + { + "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 graphite carbon nitride carrier was synthesized by thermal polymerization of melamine at 550 \u00b0C for 4 h.\nSAC synthesis: The Zn SA/Graphene catalyst was prepared by a wet impregnation method. In the typical synthesis, ZnCl2 powder was dissolved in a certain concentration of hydrochloric acid solution to prepare H2ZnCl4 solution. 150 mg of graphene support was slowly added into the H2ZnCl4 solution and stirred for 2 h. The mixture was then dried at 80 \u00b0C for 12 h. Finally, the dried material was calcined at 400 \u00b0C for 4 h under argon atmosphere.", + "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, 1.5 g commercial TiO2 powder was added to 30 mL NaOH aqueous solution (10 M) and thoroughly stirred for 10 min. Then, the mixture was sealed in a 50 mL Teflon-lined autoclave and maintained at 160 \u00b0C for 24 h. The product was filtered and washed with deionized water several times until it was neutral. After being dried at 80 \u00b0C overnight, the alkaline activated TiO2 was obtained.\nSAC synthesis: The Pt/TNR@GC sample can be prepared by thermal decomposition of Pt/TiO2@NaBH4 under argon atmosphere at 900 \u00b0C for 2 h. The Pt loading is 1.8 wt%, and the content of NaBH4 was 2.7 mol%.", + "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: 0.3 mmol of Na2MoO4\u00b72H2O, 0.3 mmol of CH4N2S, and 0.6 mmol of NH4VO3 were dissolved in deionized water (35 mL) under vigorous stirring to form a homogeneous solution. The solution was transferred into a 100 ml Teflon-lined stainless autoclave and heated up to 200 \u00b0C. After temperature reached the requirements, maintaining heating for 24h, then leaving the reaction system to cool down to room temperature naturally. The final products were collected by centrifugation and washing with water/ethanol for several times. Dried at 60 \u00b0C overnight.\nSAC synthesis: The Pd SA/\u03b1-MoC samples were prepared following the previous method. A certain amount of H2PdCl4\u00b76H2O (0.5 mg) was added into the \u03b1-MoC dispersion (10 mL) under ultrasonic condition. Then, the mixture was magnetically stirred in an ice bath for 24 h. Finally, the mixture was centrifuged and dried at 60 \u00b0C overnight.", + "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: A stoichiometric amount of MoO 3 (1.0 mmol) was dissolved in deionized water (35 mL). Then, NH 4 OH solution (15 mL, 28% ammonia) was added to the above solution under vigorous stirring. Afterwards, the mixture was heated to 60 \u00b0 C and stirred for 3 h. Then, the mixture was allowed to cool down to room temperature naturally. The final product was obtained as a yellow powder after washing with distilled water several times and drying at 40 \u00b0 C overnight.\nSAC synthesis: Rh/ \u03b1 -MoC was prepared by adding the desired amounts of RhCl 3 \u00b7 H 2 O solution (0.5 mmol L -1 ) to the \u03b1 -MoC dispersion (10 mL deionized water containing 1 g \u03b1 -MoC). The mixture was then stirred at room temperature for 2 h. The resulting precipitate was centrifuged and washed with deionized water several times and dried at 40 \u00b0 C overnight. Finally, the sample was reduced in H 2 flow (10 vol% H 2 /Ar) at 200 \u00b0 C for 2 h.", + "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: 0.4 mmol Ni(NO3)2\u00b76H2O, 0.1 mmol Cr(NO3)3\u00b79H2O and 3 mmol Zn(NO3)2\u00b76H2O were dissolved in 50 mL methanol as solution A. 8 mmol 2-methylimidazole was dissolved in another 50 mL methanol as solution B. Solution A was poured into solution B and stirred for 5 min at room temperature. The mixed solution was transferred to a 100 mL Teflon-lined autoclave and kept at 120\u00b0C for 4 h. The obtained product was separated by centrifugation, washed with ethanol and dried at 60\u00b0C for 5 h. Then, the dried powder was calcined at 900\u00b0C for 2 h under ammonia atmosphere with a heating rate of 5\u00b0C/min. Finally, the sample was etched with 1 M hydrochloric acid at 80\u00b0C for 12 h to remove unstable species. After filtration, copiously washing with water and drying, the etched powder was further calcined at 900\u00b0C for 2 h under ammonia atmosphere with a heating rate of 5\u00b0C/min.\nSAC synthesis: The Cr@Ni-MoS2@Ru samples were prepared following the same method as Cr@Ni-MoS2 except adding 0.01 mmol RuCl3\u00b7xH2O.", + "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: 0.3 mmol of Na2MoO4\u00b72H2O, 0.3 mmol of CH4N2S, and 0.6 mmol of NH4VO3 were dissolved in deionized water (35 mL) under vigorous stirring to form a homogeneous solution. The solution was transferred into a 100 ml Teflon-lined stainless autoclave and heated up to 200 \u00b0C. After temperature reached the requirements, maintaining heating for 24h, then leaving the reaction system to cool down to room temperature naturally. The final products were collected by centrifugation and washing with water/ethanol for several times. Dried at 60 \u00b0C overnight.\nSAC synthesis: The Pd SA/\u03b1-MoC samples were prepared following the previous method. A certain amount of H2PdCl4\u00b76H2O (0.5 mg) was added into the \u03b1-MoC dispersion (10 mL) under ultrasonic condition. Then, the mixture was magnetically stirred in an ice bath for 24 h. Finally, the mixture was centrifuged and dried at 60 \u00b0C overnight.", + "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: 1-butyl-3-methylimidazolium zinc tetrachloride ([Bmim]2[ZnCl4]) was prepared as referred to in the previous work. [1]\nSAC synthesis: Typically, carbon black (50.0 mg) and 1-butyl-3-methylimidazolium zinc tetrachloride ([Bmim]2[ZnCl4], 60.0 mg) were dispersed in 80 mL H2O, respectively. The mixture was stirred continuously at 60\u00b0C for 10 h and dried by freeze-drying. The dried sample was placed in a N2 atmosphere and pyrolyzed at 600\u00b0C for 2 h. After cooling down to room temperature, the target product was obtained by further washing with 1 M hydrochloric acid solution and ultrapure water, centrifugation and freeze-drying.", + "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 is immersed in a Pt II solution.\nSAC synthesis: First, Pt 2+ cations are introduced within the MOF's channels and anchored in specific positions of the channels by interacting with sulfur-containing groups, similarly to that observed with Ag 1+ cations and thioether groups in L-methionine MOF. Then, the concomitant in situ reduction of Pt 2+ cations yielded Pt 0 1 SACs homogeneously distributed along the MOF's channels.", + "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 is immersed in a Pt II solution.\nSAC synthesis: First, Pt 2+ cations are introduced within the MOF's channels and anchored in specific positions of the channels by interacting with sulfur-containing groups, similarly to that observed with Ag 1+ cations and thioether groups in L-methionine MOF. Then, the concomitant in situ reduction of Pt 2+ cations yielded Pt 0 1 SACs homogeneously distributed along the MOF's channels.", + "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: 2.4 g of phenanthroline and 0.079 g of K2PtCl6\u00b7xH2O were dissolved in the mixed solution of 20 mL deionized water and 20 mL ethanol, stirred for 30 minutes, and then 6.58 g of NaOH was added. The mixture was stirred at room temperature for 12 hours. Then, 2.4 g of melamine and 0.029 g of K2PtCl6\u00b7xH2O were added to the mixture and stirred for another 12 hours. After that, the precipitate was collected by centrifugation and washed with deionized water until pH = 7. The precipitate was then dried at 60 \u00b0C overnight. Finally, the dried powder was calcined in a tube furnace at 550 \u00b0C under N2 flow (60 mL/min) for 2 hours.\nSAC synthesis: In Ar atmosphere, the temperature was increased to 550 \u00b0C at 2 \u00b0C/min and maintained at this temperature for 2 hours. Then, Pt-SA@bulkMOF was reduced in 10% H2 in He at 200 \u00b0C for 2 hours.", + "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: Phytic acid was used as a phosphorus source and an inducer to promote the agglomeration of Mo and Co. Gelatin was used as a nitrogen source. Polytetrafluoroethylene (PTFE) was used as a soft template to construct the porous structure.\nSAC synthesis: For synthesizing Pt-PMA-AC, only cobalt nitrate hexahydrate was added to the solution. Other synthesis steps were consistent with MoCoP-PMA-AC.", + "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: 1.0 g of activated carbon and 3.0 g of melamine were mixed in 25 mL of ethanol. The mixture was dried at 60 \u00b0C for 8 h under stirring. The dried powder was then calcined at 900 \u00b0C for 2 h in a tube furnace under an argon atmosphere with a heating rate of 5 \u00b0C/min.\nSAC synthesis: 20 mg of Pt-N3O1-AC was added to a 25 mL of active carbon solution containing 10 mL of acetic acid and 40 mL of deionized water. The resulting suspension liquid was refluxed at 120 \u00b0C for 12 h, filtered, and washed repeatedly using deionized water. The filter cake was dried at 60 \u00b0C overnight in a forced air drying oven. Finally, the dried powder was then calcined at 900 \u00b0C for 2 h in a tube furnace under an argon atmosphere with a heating rate of 5 \u00b0C/min.", + "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: 1 g of carbon black was treated with strong acids (H\u2082SO\u2084 and HNO\u2083 in a ratio of 3:1 (V/V)). The measured carbon was sonicated in 200 mL of acids at room temperature for 45 minutes. The mixture was then heated at 130 \u00b0C for 5 hours with constant stirring and refluxed using a hot plate and Soxhlet apparatus. The sample was separated and washed with DI water until it reached a pH of 7 by centrifugation. Finally, the sample was dried at 80 \u00b0C for 8 hours. In order to remove any possible residuals, the sample was then treated with nitric acid (\u226569%) and heated at 130 \u00b0C for 5 hours. The sample was separated and washed with DI water several times and finally dried at 80 \u00b0C overnight. This has been considered as activated carbon (AC).\nSAC synthesis: Pt was deposited on the AC support by the incipient wetness impregnation method using platinum tetraammine (PTA, [Pt(NH\u2083)\u2084]\u2082) as the Pt precursor. The loading of Pt on metallic Pt/AC was designed to be 1.0 wt%. Briefly, an appropriate amount of PtA was mixed with deionized water and added dropwise to the AC support. The mixture was dried at 80 \u00b0C for 8 hours. Then, the sample was reduced in hydrogen (H\u2082) at 250 \u00b0C for 2 hours.", + "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: 1.0 g of PAN, 0.5 mmol of molybdenyl acetylacetonate (C10H14MoO6), and 2 mL of TEOS were dissolved into 10 mL of DMF under vigorous stirring at 30 \u00b0C for 12 h.\nSAC synthesis: The resultant solution was charged into a plastic syringe equipped with a stainless-steel spinning nozzle. The positive voltage was fixed at 14 kV while the working distance between the collector and needle was set to 16 cm. The feeding rate and spinning rate were 1.5 mL h-1 and 300 rpm, respectively. A tin foil plate was used as the negative collector. The obtained electrospinning membrane was moved into a vacuum oven to remove the solvent at 100 \u00b0C for 12 h. Finally, the dried nanofibers membrane was pyrolyzed at 900 \u00b0C for 2 h under a heating rate of 3 \u00b0C min-1 in an argon atmosphere.", + "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 synthesis of hierarchical porous SACs of other transition metals was similar to that of Co1/h-NC except by replacing cobalt(II) acetate tetrahydrate with nickel(II) acetate tetrahydrate (53 mg).", + "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: 10 mL of tetrabutyl titanate and 1.5 mL of hydrofluoric acid solution (47%) were mixed in a Teflon-lined autoclave with a capacity of 25 ml and stirred for 24 h at 200 \u00b0C. The precipitants were separated by high-speed centrifugation and washed with ethanol and distilled water several times. Finally, the powders were dispersed in 0.1 M NaOH aqueous solution and stirred for 8 h at room temperature. The power was recovered by high speed centrifugation, washed with distilled water and ethanol several times and then dried at vacuum oven for 12 h. The TiO2 nanosheets were obtained.\nSAC synthesis: Pd/TiO2 was synthesized according to the previous reference. [2] Firstly, 30 mg of TiO2 nanosheets powders were dispersed in 10 mL of deionized water under magnetic stirring. Then, a certain amount of H2PdCl4 (0.016 mmol) was added into the above solution and kept stirring for 8 h at room temperature. The products were collected by high speed centrifugation and washed with deionized water several times. Finally, the samples were obtained after being dried at vacuum oven for 12 h and calcined at 300 \u00b0C for 2 h.", + "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: Zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O), Cobalt nitrate hexahydrate (Co(NO3)2\u00b76H2O), 2-Methylimidazole (MeIM), Methanol.\nSAC synthesis: The synthesis of atomically dispersed CoNC electrocatalyst was first to mix metal precursors (Zn(NO3)2\u00b76H2O and Co(NO3)2\u00b76H2O) with 2-methylimidazole in methanol at room temperature to enable the self-assembly process.", + "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: 0.5 g of Zn(NO3)2\u00b76H2O and 0.5 g of Co(NO3)2\u00b7xH2O were dissolved in 50 mL of deionized water. 1 g of melamine was added to the solution, and the mixture was stirred for 12 h at room temperature to form a homogeneous gel. The gel was dried at 80 \u00b0C for 12 h and then calcined at 900 \u00b0C for 2 h under an argon atmosphere.\nSAC synthesis: The Co-N4/Vulcan catalyst was prepared by one-pot annealing of a homogeneous gel at 900 \u00b0C for 2 h under an argon atmosphere. The gel contained 5 g of melamine, 0.5 g of Zn(NO3)2\u00b76H2O, and 0.5 g of Co(NO3)2\u00b7xH2O mixed with 50 mL of deionized water. After drying at 80 \u00b0C for 12 h, the mixture was calcined at 900 \u00b0C for 2 h under an argon atmosphere to obtain the final product.", + "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: Heteroatom-doped g-C3N4 was synthesized through a typical procedure. Take C3N4-P for example, pristine g-C3N4 (0.2 g) and sodium hypophosphite (NaH2PO2\u00b7H2O) (0.01 g) were ground in an agate mortar for 30 min. The mixture was then pressed in a tube furnace and reacted at 550 \u00b0C for 2 h with a heating rate of 2 \u00b0C/min and the Ar gas (purity > 99.999%) flow of 0.1 L/min. The end of the tube furnace was connected to a gas bottle containing ethanol in case of a trace amount of volatile gas. After cooling down to room temperature, the resulting powder was filtered and washed successively with deionized water and alcohol, and dried in a vacuum at 60 \u2103.\nSAC synthesis: In a typical synthesis, an aqueous suspension of g-C3N4-P (approximately 2.5 mg\u00b7mL-1) was first prepared by dispersing 150 mg g-C3N4-P into 60 mL deionized water with sonication and was then kept stirring continuously. Preparation of copper chloride aqueous suspension, dissolving 46 mg Copric chloride dihydrate (approximately 1.15 mg\u00b7mL-1) into 40 mL deionized water with sonication. Then, added copper chloride aqueous suspension dropwise to g-C3N4-P aqueous suspension and kept stirring for 24 h to form a homogeneous solution. After the impregnation step, the resulting homogeneous solution was filtered and washed successively with alcohol and deionized water, and dried in a vacuum at 60 \u00b0C. To prepare the Cu-g-C3N4-P sample, the obtained impregnated sample was placed in the tube furnace and annealed at 550 \u00b0C for 2 h with the heating rate of 2 \u00b0C/min and the Ar atmosphere.", + "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: 20 mg of Pd(acac)2, 0.15 g of dopamine hydrochloride, and 3 mL of ethanol were mixed in a 10 mL vial and sonicated for 10 min. The solution was heated to 60 \u00b0C and stirred at 80 \u00b0C for 4 h. The resulting precipitate was separated by centrifugation, washed with ethanol three times, and dried under vacuum at 60 \u00b0C overnight.\nSAC synthesis: A quartz boat containing 0.2 g of the Pd-organic framework (Pd-OF) was placed in a tube furnace preheated to 900 \u00b0C under Ar flow (100 sccm). After 2 h of pyrolysis, the sample was cooled naturally to room temperature.", + "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: 1.5 mL of hydrofluoric acid and 12.5 mL of Titanium (IV) butoxide were mixed and stirred for 30 min. A hydrothermal reaction was carried out at 200 \u00baC for 24 h in a 50 mL Teflon autoclave. The precipitants were collected and washed with distilled water and ethanol. The powders were soaked in 0.1 M NaOH solution for 12 h to remove residual fluorine ions and realize Na+ modification. After another washing procedure, the dried white-colored powders were annealed at 400 \u00baC for 2 h in a muffle furnace to obtain 001-faceted TiO2 with surface sodium ions.\nSAC synthesis: H2PtCl6\u00b76H2O (0.078 mM), K2PtCl4 (0.060 mM), or K2Pt(CN)4 (0.060 mM) as Pt precursors were used. The concentration of Pt precursors was 0.01 M. The 001-faceted TiO2 sample was put into the quartz tube (inner diameter 14 cm). The quartz tube was first evacuated by argon gas for 12 h and then maintained at 1 \u00d7 10^-6 Pa. The quartz tube and Pt precursor were sealed in the quartz bottle and maintained at 1 \u00d7 10^-6 Pa for 12 h. The quartz bottle was then transferred to a tube furnace and heated to 700 \u00baC under 50 sccm argon gas for 12 h. The quartz tube was cooled down to room temperature and opened to the atmosphere.", + "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: Graphene hydrogel was prepared by the hydrothermal method. Cobalt chloride hexahydrate (CoCl2\u00b76H2O) with a loading of 10 wt% was fully dissolved in graphene hydrogel. The mixture was freeze-dried to obtain graphene aerogel loaded with cobalt chloride hexahydrate (CoCl2/GAs). CoCl2/GAs was filled into a designed discharge chamber and connected in series to the pulse discharge circuit. After the pulse power supply was charged (8 kV), CoCl2 was decomposed into Co and chlorine (Cl2) under the action of Joule heat. The decomposed Co from CoCl2/GAs was vaporized by plasma and formed Co nanoparticles on GAs (Co NPs/GAs).\nSAC synthesis: Different metal SACs with the local structure of Co - N1 O1 can also be synthesized through pulsed discharge processes with different precursors.", + "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: Dicyandiamide (DCD) was heated to 350 \u00b0C with a ramping rate of 7 \u00b0C min^-1 and held for 1 h, denoted as h-DCD. An ethanol (EtOH) solution of iron(III) acetylacetonate (with a volume ratio of H2O/EtOH = 1:1, containing 2 wt% Fe and 10 mg mL^-1 citric acid) was added to h-DCD and ground. After drying, the mixture was annealed at 660 \u00b0C at a ramping rate of 10 \u00b0C min^-1 for 2 h, denoted as an Fe-seed. SAC synthesis: In a typical procedure, 7 mL of methanol (MeOH), Co(NO3)2\u00b76H2O methanol solution (1.5 mL, 54.6 mg mL^-1), and Zn(NO3)2\u00b76H2O methanol solution (1.5 mL, 55.8 mg mL^-1) were subsequently added into FeNC (25 mg) powders. The mixture was ultrasonicated for 2 h and then centrifuged. The as-obtained precipitates were again mixed with MeOH (8.5 mL), and 2-methylimidazole methanol solution (1.5 mL, 123.2 mg mL^-1) was added dropwise, followed by ultrasonication for 2 h. The precipitates were centrifuged, washed with MeOH several times, and dried in a vacuum at 60 \u00b0C for at least 3 h. The dried powder was then pyrolyzed at 900 \u00b0C for 1 h with a ramping rate of 5 \u00b0C min^-1, denoted as FeCo-SAs. GOA was prepared using a modified Hummers method. FeCo-SAs were dispersed in deionized water (10 mL), and the suspension was mixed with GOA aqueous dispersion (5 mg mL^-1). The mixture was sonicated for 1 h and then stirred for 24 h. The as-obtained precipitates were centrifuged and washed with water several times and finally dried in a vacuum at 60 \u00b0C overnight. The dried powder was then annealed at 700 \u00b0C for 1 h under Ar atmosphere with a flow rate of 50 mL min^-1, denoted as FeCo-SAs/NGOA.", + "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: Iron(III) chloride hexahydrate (FeCl3\u00b76H2O), Dicyandiamide, Glucose.\nSAC synthesis: Firstly, 0.13 g glucose and 5 g dicyandiamide were dissolved in 10 mL of deionized water with 80\u00b0C water bath heating. After vigorous stirring for 1 hour, the metal salt mixture (5 mg FeCl3\u00b76H2O) was slowly dropped into the transparent solution, and then continue stirring for 12 hours. Secondly, the bottle containing the above solution was quickly placed in a liquid nitrogen environment for 0.5 hours, and then freeze-dried to remove moisture. Finally, ground by mortar, the powder was heated at 550 \u2103 for 4 hours, and then heated at 900 \u2103 for 4 hours in Ar atmosphere. The heating rate is 5 \u2103/min. The obtained black powder was named as Fe-N-G.", + "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 preparation of ZIF-8 was carried out following the procedure in our previous work. [20] Firstly, 0.36 g Zn(NO3)2\u00b76H2O and 0.75 g 2-methylimidazole were dissolved in 50 mL methanol solution, respectively. Then the two solutions were mixed and stirred vigorously for 24 h at room temperature. Finally, the precipitate was collected by centrifugation and dried in vacuum oven at 60 \u00b0C overnight.\nSAC synthesis: In a typical synthesis, an aqueous suspension of ZIF-8 (approximately 2.5 mg\u00b7mL -1 ) was first prepared by dispersing 150 mg ZIF-8 into 60 mL water with sonication and was then kept stirring continuously. After that, a certain amount of NaCl (approximately 1.2 mg\u00b7mL -1 ) was added into the ZIF-8 aqueous suspension and stirred for another 30 min. Then, the mixture was freeze-dried to obtain a powder mixture of ZIF-8 and NaCl. Next, the powder mixture was pyrolyzed under N2 atmosphere at 900 \u00b0C for 2 h. Ultimately, the product was obtained after cooling down naturally. Zn-N-C-1 sample was obtained using 0.01 M ZnCl2 as the salt system, and the other conditions were the same as mentioned above.", + "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: The C3N4 nanosheets was prepared based on previous studies. 0.02 g C3N4 nanosheets and 0.04 g CNT-1 were added to 30 mL DI water. C3N4 nanosheets were spread out and shattered uniformly through 60 min ultrasound. 0.05 mL of 0.1 M CuCl2 was added dropwise to the mixture followed by stirring for 2h. The liquid nitrogen was poured directly into the mixed solution until icing totally. After freeze-dried for 72h, the aerogel was obtained. The aerogel was heated to 750 oC with a 5 oC/min heating rate at Ar atmosphere, immediately followed by cooling down to 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 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 C3N4 nanosheets was prepared based on previous studies. 0.02 g C3N4 nanosheets and 0.04 g CNT-1 were added to 30 mL DI water. C3N4 nanosheets were spread out and shattered uniformly through 60 min ultrasound. 0.05 mL of 0.1 M NiCl2 was added dropwise to the mixture followed by stirring for 2h. The liquid nitrogen was poured directly into the mixed solution until icing totally. After freeze-dried for 72h, the aerogel was obtained. The aerogel was heated to 750 oC with a 5 oC/min heating rate at Ar atmosphere, immediately followed by cooling down to 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 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: Cobalt Nitrate Hexahydrate (Co(NO3)2\u00b76H2O), 1,10-Phenanthroline (C12H8N2), 2-Methylimidazole (C4H6N2), 4-Dimethylaminopyridine (C7H10N2), Carbon Black (BP-2000), and Hydrochloric Acid (HCl, \u226536.5%) were purchased from Sinopharm Chemical Reagent Co., Ltd. (Shanghai, China).\n\nSAC synthesis: A certain amount of Co(NO3)2 \u00b7 6H2O and C4H6N2 (2-methylimidazole) were dissolved in deionized water (100 mL). The mixture was stirred at 353 K for 30 minutes and then added dropwise to a carbon black slurry, which was composed of 0.2 g of carbon black (BP-2000) mixed with 100 mL of 0.1 M NaOH aqueous solution at 353 K, resulting in a powder/solvent ratio of approximately 1:51 for the carbon black slurry. The mixture is filtered and vacuum dried to obtain a black mixed powder. Subsequently, calcination was performed for 2 h at 873 K in N2 atmosphere at a ramp rate of 5\u00b0C/min. To remove the nanoparticles on the optimized Co-N-C, the catalyst was left overnight at room temperature in 1 M HCl solution, filtered, thoroughly cleaned, and then dried at 80\u00b0C to obtain Co-N4 SACMm.", + "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 MCA polymer colloid was formed by mixing 3.0 mmol of M and 3.0 mmol of CA in 40 mL of DI water under ultrasound for 30 min. The resulting mixture was filtered, and the filter cake was dispersed in 80 mL of DI water containing 0.5 g of CTAB at room temperature. After being magnetically stirred for 2 h, the filter cake was transferred to a 100 mL Teflon-lined autoclave and heated at 90 \u00b0C for 6 h. The resulting MCA/CTAB nanocomposite was collected by centrifugation, washed with DI water three times, and dried at 60 \u00b0C overnight.\nSAC synthesis: The as-synthesized MCA/CTAB nanocomposite was first pre-annealed at 250 \u00b0C for 2 h under N2 flow followed by annealing at 900 \u00b0C for 2 h under Ar flow. The obtained sample was soaked in 2 M HCl solution for 12 h to remove any amount of CTAB, and then washed thoroughly with DI water and dried at 60 \u00b0C overnight.", + "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: Typically, Zn(NO3)2\u00b76H2O (0.575 g) and FeSO4\u00b77H2O (0.019 g) were dissolved into 50 mL of methanol to form a solution. 50 mL of methanol containing 2-methylimidazole (0.66 g) and PVP (0.6 g) were poured into Zn(NO3)2 and FeSO4 solution. The mixed solution was kept stirring for 24 h at room temperature. The obtained white precipitates were centrifuged and washed with methanol three times and finally dried at 80 \u00b0C overnight. Hollow ZIF materials synthesis: 10 mL methanol solution containing 100 mg ZIF nanocrystals were incubated in 40 mL of a tannic acid solution (8 g L-1) and aged for 10 min. The hollow ZIF materials were centrifuged and washed with methanol three times and finally dried at 80 \u00b0C overnight. SAC synthesis: The as-obtained hollow ZIF nanocysts were carbonized in flowing Ar in a tube furnace using a heating rate of 5 \u00b0C min-1 up to 800 \u00b0C and dwell for 3 h.", + "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: Chromium (III) nitrate nonahydrate (34.2 mg) and 1,10-phenanthroline monohydrate (107.3 mg) were dissolved in 2 mL of dimethyl sulfoxide followed by stirring for approximately 20 min at room temperature. Subsequently, carbon black (69.6 mg) was added into the solution, and the resulting solution was heated in an oil-bath at 60 \u00b0C for 4 h under continuous magnetic stirring. The resulting dispersion was then heated at 190 \u00b0C in air for 12 h to evaporate the dimethyl sulfoxide, yielding a black solid. The black solid obtained was lightly ground with a mortar and pestle, then transferred into a ceramic crucible and placed in a tube furnace. The black solid was then heated to 600 \u00b0C at a rate of 10 \u00b0C min^-1 under an argon atmosphere and then held at 600 \u00b0C for 2 h. The product obtained after cooling to room temperature was denoted as C600.", + "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 Ag/SiO2 catalyst was synthesized by the incipient wetness impregnation method. Firstly, spherical SiO2 was synthesized using the St\u00f6ber method. [1] Then, the spherical SiO2 support was impregnated with a mixture of AgNO3 solutions (Sinopharm Chemical Reagent Co., Ltd.) to achieve a nominal Ag loading of 5 wt%. The obtained sample was then dried at 60 \u00b0C for 12 h and calcined at 600 \u00b0C for 5 h to obtain the Ag/SiO2 catalyst.\nSAC synthesis: To obtain the Pd/Au@Ag/SiO2 SAA catalyst, 1 cycle of Pd ALD was first performed on Ag/SiO2. After that, Au/Pd SAAs were prepared by the sequential electrodeposition of Au and Pd on the Pd/Ag/SiO2 SAA catalyst. Specifically, the Pd/Ag/SiO2 SAA catalyst was transferred into an electrolytic bath containing 10 mL of 1.0 mM H2PdCl4 solution (Shanghai Macklin Biochemical Technology Co., Ltd.). Then, the electrolytic bath was sealed and maintained at room temperature for 12 h. Afterwards, the product was transferred into an electrolytic bath containing 10 mL of 1.0 mM HAuCl4 solution (Shanghai Macklin Biochemical Technology Co., Ltd.). The electrolytic bath was sealed and maintained at room temperature for 12 h. Finally, the product was washed with deionized water several times and dried at 60 \u00b0C for 12 h to obtain the Pd/Au@Ag/SiO2 SAA catalyst.", + "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: 1.0 mL of HAuCl4 \u00b7 xH2O solution (0.36 mol/L) was added into 30 mL of oleylamine in a three-necked flask and degassed for 1 h under reduced pressure. Then, 0.5 mL of NaBH4 solution (1.0 mol/L) was quickly injected into the flask under vacuum. After stirring at room temperature for 30 min, the mixture was centrifuged to remove excess NaBH4, and then dried in a vacuum oven at 80 \u00b0C for 12 h. The product was labeled as Au NWs.\nSAC synthesis: 1.0 mL of HAuCl4 \u00b7 xH2O solution (0.36 mol/L) and 10 mg of chloropalladium acid were added into 30 mL of oleylamine in a three-necked flask and degassed for 1 h under reduced pressure. Then, 0.5 mL of NaBH4 solution (1.0 mol/L) was quickly injected into the flask under vacuum. After stirring at room temperature for 30 min, the mixture was centrifuged to remove excess NaBH4 and chloropalladium acid, and then dried in a vacuum oven at 80 \u00b0C for 12 h. Finally, the product was heated to 200 \u00b0C for 30 min under Ar atmosphere to obtain Pd SAs/Au NWs.", + "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: In a typical procedure, 0.25 g of polyvinylpyrrolidone (PVP, Mw = 360000, Sigma) was dissolved in 10 mL of ethanol to form a homogeneous solution A; 0.25 g of Au(acac)3 (Sigma), 0.04 g of AgNO3 (Sigma) and 20 mL of ethanol were added into a three-necked bottle to form a mixture solution B. Then, solution A was injected into solution B under vigorous stirring for 0.5 h at room temperature. The obtained precipitates were collected by centrifugation at 8000 rpm for 5 min, followed by washing with ethanol for several times and drying in vacuum at 60 \u00b0C for further use.\nSAC synthesis: The as-obtained powder was placed in a tube furnace and then heated to the desired temperature (900 \u00b0C) for 3 h at the heating rate of 5 \u00b0C/min under flowing argon gas and then naturally cooled down to room temperature. The products were collected and marked as Ag-Au@NC-900.", + "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: 20.0 g of P25 TiO2 was added into a 50 mL Teflon-lined stainless steel autoclave containing 30 mL of 16 M HNO3 solution. The autoclave was sealed and placed in an oven maintained at 180 \u00b0C for 24 h. The solid product was separated by centrifugation, washed with deionized water several times until the pH = 7, and dried overnight at 80 \u00b0C in the vacuum oven. The TiO2 nanosheets were obtained.\nSAC synthesis: 1.0 g of as-prepared TiO2 nanosheets powders were dispersed in 10 mL of deionized water under sonication. Several drops of a 0.1M NaOH solution were used to adjust the pH value of the suspension to 8-8.5. 25 \u03bcL of 0.05M RhCl3 solution was added into the suspension. After being stirred evenly, the precipitates were collected by centrifugation and washed with deionized water several times. A vacuum oven was used to dry the products overnight. Finally, the Rh/TiO2 catalyst was obtained.", + "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: Zn(NO3)2\u00b76H2O, Al(NO3)3\u00b79H2O, ZrO(NO3)2\u00b7xH2O with the Zn/Al/Zr ratio of 2:0.5:0.5 were first dissolved in 100 mL of deionized water ([Zn 2+ ] + [Al 3+ ] + [Zr 4+ ] = 1.2 m). The resulting solution was added drop by drop to a round-bottomed flask simultaneously with an aqueous solution (100 mL) of NaOH (1.92 m) and Na2CO3 (0.8 m) in deionized water. The pH was maintained at a constant value of \u2248 10.0 \u00b1 0.2 in the precipitation. After the precipitation, the resulting suspension was aged at 60 \u00b0C for 12 h with stirring. The solid was then isolated by filtration, washed thoroughly with deionized water until the pH reached 7, and dried overnight at 100 \u00b0C in an oven. Zn2Al0.5Zr0.5-LDHs was then calcined at 550 \u00b0C for 2 h in air to form ZnAlZr-MMO.\n\nSAC synthesis: Ir was deposited on Zn2Al0.5Zr0.5-LDHs by the incipient wetness impregnation method using iridium(III) chloride hydrate as the precursor. The LDHs with platinum precursor loaded was then dried overnight at 100 \u00b0C in an oven, calcined in air at 550 \u00b0C for 2 h, and then reduced in hydrogen at 500 \u00b0C for 2 h. The sample was denoted as Ir/ZnAlZr-MMO.", + "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: 10.5 mg H\u2082PtCl\u2086\u00b7xH\u2082O, 15.4 mg K\u2082IrCl\u2086\u00b76H\u2082O, or 8.3 mg PdCl\u2082\nSAC synthesis: The metal precursors (PdCl\u2082) were added to cyanamide or to the mixture of cyanamide and colloidal silica in the synthesis of MCN.", + "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: Kwak and co-workers impregnated ZIF with aqueous Pt(NO3)2 solutions, and then calcined at 573 K for 5 h.\nSAC synthesis: Kwak and co-workers impregnated ZIF with aqueous Pt(NO3)2 solutions, and then calcined at 573 K for 5 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: To a Schlenk flask containing trimethylsilylacetylene (40 mmol) and dry tetrahydrofuran (30 mL) at -78 \u00baC was added n-butyllithium (1.6 M, 40 mmol) and stirred for 60 minutes. Then, a solution of zinc chloride in THF was added to the reaction mixture. After stirring overnight at room temperature, the precipitate was filtered off and washed with hexane to remove the excess amount of trimethylsilylacetylene. The obtained solid was then dried under vacuum at -20 \u00baC for 1 day. Next, the obtained sample was transferred into a ceramic boat and pyrolyzed at 950 \u00baC for 2 h under an argon atmosphere. Finally, the black powder was used as the starting material for the preparation of GDY. To obtain GDY nanosheets, the obtained powder was first exfoliated in 20 mL of hexane and chloroform for 3 days. Then, the exfoliated sample was collected by centrifugation and further purified by Soxhlet extraction using methanol for 2 days. Finally, the obtained powder was dried under vacuum at 40 \u00baC for 1 day. To prepare graphdiyne (GDY), the obtained powder from the above experiment was first mixed with copper foils. Then, the mixture was heated at 120 \u00baC for 72 h under an argon atmosphere. After cooling down, the powder was collected and washed thoroughly with acetone, ethanol, and water to remove any possible residues. Then, the resulting powder was dried under vacuum at 40 \u00baC for 1 day.\nSAC synthesis: To a solution of GDY (10 mg) in THF (10 mL) was added a moderate amount of HBF4 (1 M, 20 \u03bcL). Then, a solution of palladium(II) trifluoroacetate in THF (10 mL, 10 mg/mL) was added dropwise to the reaction mixture. After stirring at room temperature for 2 h, the precipitate was filtered off and washed with acetone, ethanol, and water several times. Then, the samples were dried under vacuum at 40 \u00baC for 1 day.", + "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: Nickel(II) nitrate hexahydrate, Urea, Graphene Oxide\nSAC synthesis: In a typical synthesis of Ni-SACs, 50 \u00b5l 0.1 M nickel(II) nitrate hexahydrate solution (Chem-Supply) and 2 ml 0.8 M urea solution (Sigma-Aldrich) were added into 20 mg graphene oxide aqueous solution (XFNano Material) with bath sonicating for 30 min. The resulting mixed solution was then frozen by liquid nitrogen and freeze-dried at -46 \u00b0C in vacuum for 24 h. Subsequently, the dried powder mixture was transferred into a round bottom glass flask with a gas adapter. After pumping into the adapter, the flask was sealed and maintained at -75 \u00b0C for 2 weeks. The flask was then transferred into a tube furnace and heated to room temperature under Ar flow. The sample was stored in a glove box before being shipped.", + "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: Metal salts of the different precursors were dissolved in Ethanol 200 proof to maintain 50 mM concentration of each solution. The precursors solutions were drop casted using micro-pipette on carbon paper, while maintaining 100 \u00b5l of total volume of the added precursors per 1 cm\u00b2 geometric area of the carbon paper. The volume taken from each precursor = (100/n; n = number of distinct elements per alloy). The drop casted solution was left to dry out under room temperature overnight, to ensure full evaporation of ethanol trapped within carbon fibers channels.\nSAC synthesis: Carbon fibers coated with dried precursors were thermally treated by the passage of electrical current, which caused their temperature to increase significantly to allow for HEO synthesis. CTS was performed in a reducing atmosphere with 4% H2 and 96% Ar gas mixture. Current was varied between 15 - 20 A, while the pulse duration changed from 200 to 500 ms. Number of pulses was either 3 or 6 pulses. The optimal CTS synthesis condition was found at 17 A, 500 ms and 3 pulses.", + "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: 2,6-Pyridinedicarbonitrile (1 g) and anhydrous ZnCl2 (5 g) were mixed in a glovebox and then transferred into a pyrex ampoule in an inert atmosphere. The ampule was evacuated by a vacuum pump, sealed, and heated to 400 \u00b0C for 20 h and then 600 \u00b0C for 20 h. The ampule was then cooled to room temperature and opened carefully. The reaction mixture was subsequently ground and then washed thoroughly with large amounts of water to remove most of the ZnCl2. Further stirring in dilute HCl (2 M) for 12 h was carried out to remove the residual salt. After this purification step, the resulting black powder was filtered, washed successively with water, and dried under vacuum at 80 \u00b0C for 12 h.\nSAC synthesis: Pd1-Fe@G-500 sample was prepared following similar procedure as that for Pd1-Co@G-500 using 5 mg of Fe(acac)3 instead of 5 mg of Co(acac)2.", + "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: Fe(acac)3 molecule was trapped into one cage of ZIF-8 to afford an isolated single-atom Fe/N-doped porous carbon catalyst after further pyrolysis.\nSAC synthesis: Fe(acac)3 molecule was trapped into one cage of ZIF-8 to afford an isolated single-atom Fe/N-doped porous carbon catalyst after further pyrolysis.", + "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: Metal salts of the different precursors were dissolved in Ethanol 200 proof to maintain 50 mM concentration of each solution. The precursors solutions were drop casted using micro-pipette on carbon paper, while maintaining 100 \u00b5l of total volume of the added precursors per 1 cm\u00b2 geometric area of the carbon paper. The volume taken from each precursor = (100/n; n = number of distinct elements per alloy). The drop casted solution was left to dry out under room temperature overnight, to ensure full evaporation of ethanol trapped within carbon fibers channels.\nSAC synthesis: Carbon fibers coated with dried precursors were thermally treated by the passage of electrical current, which caused their temperature to increase significantly to allow for HEO synthesis. CTS was performed in a reducing atmosphere with 4% H2 and 96% Ar gas mixture. Current was varied between 15 - 20 A, while the pulse duration changed from 200 to 500 ms. Number of pulses was either 3 or 6 pulses. The optimal CTS synthesis condition was found at 17 A, 500 ms and 3 pulses.", + "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: 40 mg of GO was pretreated in 20 mL of ethanol using an ultrasonic bath for 1 h. 10 mg of C3N4 was added into the dispersion and then ultrasonicated for another 1 h. The mixture was stirred at room temperature for 12 h. After that, the dispersion was centrifuged and washed with ethanol for three times. Finally, the dispersion was dried at 60 \u00b0C for further use.\nSAC synthesis: The dry powder was placed in a tube furnace and then heated to 800 \u00b0C for 2 h at the heating rate of 5 \u00b0C min -1 under flowing Ar gas. After cooling down to room temperature, the powder was collected and then treated with 1 M HCl at 80 \u00b0C for 12 h to remove metal particles. Then, the powder was centrifuged and washed with deionized water for three times. Finally, the powder was dried at 60 \u00b0C overnight and then used for further characterization.", + "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: GO was prepared from natural graphite powder through acid oxidation according to a modified Hummers method, as previously described.\nSAC synthesis: The aqueous solutions of CuCl2 (6.7 mg/mL, 1.5 mL), GO (8 mg/mL, 3.2 mL), nitrogen source, and 50 mg of glutamate were mixed together in 40 mL of ethylene glycol. Subsequently, the solution was ultrasonicated and stirred for 2 h to obtain a homogeneous suspension. Upon completion, the suspension was transferred into a 50 mL Teflon-lined autoclave. The autoclave was sealed, heated at 160 \u00b0C for 6 h, and air-cooled to room temperature. Finally, a columnar hydrogel of Cu Nanoparticles (Cu NPs) was obtained. The resulting product was washed with deionized water three times and dried at 90 \u00b0C overnight. The resulting sample thus obtained was denoted as Cu-N-rGO.", + "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: 1.5 g of cobalt nitrate was dissolved in 30 mL of ethanol, and 1 g of polyvinylpyrrolidone was added as a templating agent under vigorous stirring at room temperature for 24 h. The resulting precipitate was collected by centrifugation, washed with ethanol several times, and dried at 60 \u00b0C overnight.\nSAC synthesis: The dried powder was then used as the precursor to fabricate Co@N-doped carbon nanosheets. In a typical procedure, 1 g of ZIF-8/polyvinylpyrrolidone complexes was pyrolyzed at 900 \u00b0C for 2 h under Ar atmosphere. Then, the obtained product was etched with 0.5 M H2SO4 at 80 \u00b0C for 5 h to remove unstable metal species. After filtration, copiously washing with water, and drying at 60 \u00b0C overnight, the final product was achieved.", + "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: 1.736 g of Ce(NO3)3\u00b76H2O (6 mmol) was dissolved in 10 mL of deionized water and then added to a solution of 19.7 g of NaOH (120 mmol) in 50 mL of deionized water. The mixed solution was stirred at room temperature for 30 min and then transferred into a Teflon-lined autoclave and maintained at 100 \u00b0C for 24 h. The precipitate was separated by centrifugation with deionized water and ethanol, and finally dried at 60 \u00b0C overnight. Then, the CeO2 support was obtained after calcination in air at 500 \u00b0C for 2 h.\nSAC synthesis: 200 mg of CeO2 was dispersed in a solution of 28.4 mL of deionized water and 0.2 mL of Na2CO3 (pH = 10). After adding 1 mL of Na2PtCl4 solution (Pt: 2 mg/mL), the mixture was stirred at room temperature for 2 h. The precipitate was separated by centrifugation with deionized water and ethanol, and finally dried at 60 \u00b0C overnight. Then, the Pt/CeO2-S catalyst was obtained after calcination in air at 500 \u00b0C for 2 h.", + "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: 1.736 g NaOH and 0.45 g glucose were dissolved in 4 mL ultrapure water, then 8.5 mL solution of metal salt (Ce(NO3)3\u00b76H2O, 0.01 M) was added to the above solution under vigorous stirring. After that, 1 mL solution of H2PdCl4 (0.01 M) was added to the above solution under vigorous stirring for 30 min. The mixture was dried by evaporating water under reduced pressure.\nSAC synthesis: Then, the dried sample was calcined at 900 \u00b0C for 4 h with a ramping rate of 5 \u00b0C/min in air. Finally, the calcined sample was reduced in 5 vol% H2 in nitrogen at 400 \u00b0C for 4 h.", + "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: 0.326 g of Ce(NO3)3\u00b76H2O, 0.75 g of hexamine and 0.6 mL of acetic acid were dissolved in 15 mL of H2O and stirred for 12 h at room temperature to form a homogeneous solution. The solution was transferred to an autoclave and held at 140 \u00b0C for 12 h. The precipitates were collected by centrifugation, washed with ethanol and deionized water for several times, and dried at 80 \u00b0C overnight. Finally, the precipitates were obtained as a light-yellow powder.\nSAC synthesis: Au-SA/CeO2 was prepared according to the previous method, but without adding chitosan.", + "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: A piece of treated carbon cloth was put into a Teflon-lined autoclave filled with a mixture solution of 0.15 M Ni(NO3)2\u00b76H2O and 1 M sodium nitrate. The autoclave was heated at 95 \u00b0C for 4 hours to synthesize NiOOH NWs on carbon cloth.\nSAC synthesis: Ni2N/C was obtained by annealing the product under the Ar atmosphere at 800 \u00b0C for 2 hours.", + "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 mmol of cobalt acetate tetrahydrate and 1.5 mmol of polyvinylpyrrolidone were dissolved in 30 mL of ethanol with stirring for 10 min. Then, 20 mg of Te NS was added into the above solution and continued to stir for another 10 min. After that, the mixture was dried at 80 \u00b0C under vacuum.\nSAC synthesis: The obtained powder was calcined at 400 \u00b0C for 2 h under Ar atmosphere to obtain Co SA/Te NS.", + "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 synthesis of nitrogen-doped graphene (NGO) is mentioned, but the exact steps are not clear due to the corruption of the text. It likely involves chemical vapor deposition and subsequent processing.\nSAC synthesis: The synthesis of PdSA/N-graphene involves the loading of Pd single atoms onto the NGO support. The exact steps are not clear due to the corruption of the text, but it likely involves a solution phase method followed by drying and high-temperature treatment.", + "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: The NF (1\u00d72 cm) was dipped in HCl solution (5%) for 10 min and rinsed with acetone in an ultrasonic bath for 15 min. Finally, it was washed with distilled water before use.\nSAC synthesis: The Pt SA/CoP-NTA was obtained following the reported method with modifications. Briefly, the clean NF was immersed in an aqueous solution containing 20 ml Co(NO3)2\u00b76H2O (50 mM), PVP (5 mg ml^-1, 98% Sigma Aldrich) and TBPB (0.4 mmol, 97% Sigma Aldrich). Then, the reactor was held at hydrothermal conditions at 120 \u2103 for 6 h. After cooling down to room temperature naturally, the product was washed with deionized water several times and dried in a vacuum oven at 60 \u2103 for further characterization and measurements.", + "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: 1.736 g NaOH and 0.45 g glucose were dissolved in 4 mL ultrapure water, then 8.5 mL solution of metal salt (Ce(NO3)3\u00b76H2O, 0.01 M) was added to the above solution under vigorous stirring. After that, 1 mL solution of H2PdCl4 (0.01 M) was added to the above solution under vigorous stirring for 30 min. The mixture was dried by evaporating water under reduced pressure.\nSAC synthesis: Then, the dried sample was calcined at 900 \u00b0C for 4 h with a ramping rate of 5 \u00b0C/min in air. Finally, the calcined sample was reduced in 5 vol% H2 in nitrogen at 400 \u00b0C for 4 h.", + "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: 2-Dimethylimidazole (5.65 g) and LUDOX\u00aeAS-40 colloidal silica (1 mL) are added in deionized water (80 mL) with magnetic rabbling for 1 h at room temperature. Zn(NO3)2\u00b76H2O (0.362 g), cetyltrimethyl ammonium bromide (CTAB) (0.5 mmol), and dopamine hydrochloride (DA) (0.5 mmol) are added into the above solution, and the mixture is rabbled for another 1 h. The samples are obtained via separation and washing a few times using deionized water to remove the residual reactants to obtain ZIF-8 nanocrystals. The obtained ZIF-8 nanocrystals are carbonized in an argon atmosphere under 900 \u00b0C for 2 h followed by aqueous HF (10 wt%) leaching for 4 h then dried at 70 \u00b0C. HPCM is obtained.\nSAC synthesis: 2-Dimethylimidazole (5.65 g) and LUDOX\u00aeAS-40 colloidal silica (1 mL) are added in deionized water (80 mL) with magnetic rabbling for 1 h at room temperature. Zn(NO3)2\u00b76H2O (0.362 g), CTAB (0.5 mmol), DA (0.5 mmol), and Fe(acac)3 (5 mg) are added into the above solution, and the mixture is rabbled for another 1 h. The samples are obtained via separation and washing a few times using deionized water to remove the residual reactants to obtain Fe@ZIF-8 nanocrystals. The obtained Fe@ZIF-8 nanocrystals are carbonized in an argon atmosphere under 900 \u00b0C for 2 h followed by aqueous HF (10 wt%) leaching for 4 h then dried at 70 \u00b0C. Finally, the Fe-N-C SA/HPCM is obtained.", + "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: 6.4 g of dicyandiamide (C2H4N4), 1.6 g of L-cysteine (C3H7NO2S), and 21 mg of Ruthenium(III) acetylacetonate (Ru(acac)3, 97%) were homogeneously ground into a fine powder complex using a mortar.\nSAC synthesis: The fine powder complex was put into a crucible with a cover under air and heated to 550 \u00b0C at a rate of 2.5 \u00b0C/min for 2 h. After cooling down naturally, the product was grinded and soaked in HCl solution (2 M) overnight to remove metal particles or clusters. The obtained powder was centrifuged and washed with deionized water three times and ethanol once. Finally, the powder was dried at 60 \u00b0C under vacuum before being 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: 1.0 g of MnSO4\u00b7H2O and 0.3 g of NiCl2\u00b76H2O were dissolved in a mixed solution (50 mL of deionized water and 50 mL of ethanol) under vigorous stirring for 30 min. Then, 0.8 mL of NaBH4 (0.5 mol L -1 ) was added to the above solution and continuously stirred for 4 h. The obtained precipitates were collected by centrifugation at 8000 rpm for 10 min, followed by washing with ethanol and deionized water three times. Finally, the products were dried at 60 \u00b0C overnight before use.\nSAC synthesis: 0.1 g of the precursor powder was loaded in a ceramic boat and placed in a tube furnace. Then, the sample was heated to 900 \u00b0C with a ramp rate of 5 \u00b0C min -1 and kept at 900 \u00b0C for 2 h under Ar atmosphere. After that, the sample was naturally cooled down to room temperature. The final product was collected and marked as R-Mn2O3-5D. The R-Pt/Mn2O3-5D sample was prepared by adding 0.1 mL of H2PtCl6\u00b76H2O solution (10 mg mL -1 ) to 10 mg of R-Mn2O3-5D. The mixture was then sonicated for 5 min and shaken for 3 h. Finally, the product was collected and marked as R-Pt/Mn2O3-5D.", + "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: H2PtCl6\u00b76H2O (99.99%) was purchased from Tianjin Fengchuan and platinum bis(acetylacetonate) (98%) was purchased from J&K Scientific company.\nSAC synthesis: The Pt/Mn2O3, Pt/Fe2O3 and Pt/ NiFe2O4 were prepared following the above impregnation procedure for Pt/CF except that home-made Mn2O3, commercial Fe2O3 and NiFe2O4 were used as support. The metal loading of these catalysts is nearly 2.0%.", + "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: 1.0 g of MnSO4\u00b7H2O and 0.3 g of NiCl2\u00b76H2O were dissolved in a mixed solution (50 mL of deionized water and 50 mL of ethanol) under vigorous stirring for 30 min. Then, 0.8 mL of NaBH4 (0.5 mol L -1 ) was added to the above solution and continuously stirred for 4 h. The obtained precipitates were collected by centrifugation at 8000 rpm for 10 min, followed by washing with ethanol and deionized water three times. Finally, the products were dried at 60 \u00b0C overnight before use.\nSAC synthesis: 0.1 g of the precursor powder was loaded in a ceramic boat and placed in a tube furnace. Then, the sample was heated to 900 \u00b0C with a ramp rate of 5 \u00b0C min -1 and kept at 900 \u00b0C for 2 h under Ar atmosphere. After that, the sample was naturally cooled down to room temperature. The final product was collected and marked as R-Mn2O3-5D. The R-Pt/Mn2O3-5D sample was prepared by adding 0.1 mL of H2PtCl6\u00b76H2O solution (10 mg mL -1 ) to 10 mg of R-Mn2O3-5D. The mixture was then sonicated for 5 min and shaken for 3 h. Finally, the product was collected and marked as R-Pt/Mn2O3-5D.", + "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: Mn3O4 samples were prepared by a facile solvothermal method reported by Hu et al.\nSAC synthesis: The synthesis process of Pt/Mn3O4 was the same as that of CoN1O2/Mn3O4, but without adding 5 mg of chitosan.", + "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: Zn(NO3)2\u00b76H2O (5.58 g), Pd(acac)2 (0.59 g), and Mn(acac)3 (0.59 g) were dissolved in 150 mL methanol to form a solution. 2-methylimidazole (6.16 g) was dissolved in another 150 mL methanol to form a solution. The two solutions were mixed and stirred continuously for 24 h at room temperature. The precipitate was collected by centrifugation, washed with methanol three times, and dried in vacuum at 60 \u00b0C for 5 h.\nSAC synthesis: The Pd-Mn-Co/NC catalyst was prepared by pyrolyzing the MOF structure that had been designed and synthesized. The MOF structure was composed of Zn atoms bridged by 2-methylimidazole, with the introduction of Pd and Mn atoms as dopants and Co atoms as the cobalt source. The precursor powder was heated to 900 \u00b0C under an Ar atmosphere and maintained at this temperature for 3 h.", + "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: Zn(NO3)2\u00b76H2O (5.58 g), C10H14NiO4 (7.707 g), and C6H12N4 (1.93 g) were dissolved in 150 mL methanol solution and stirred evenly (solution A). 2-Methylimidazole (6.16 g) was dissolved in another 150 mL methanol solution and stirred well (solution B). Solution B was poured into solution A with stirring at room temperature for 24 h. Centrifugation was performed until the supernatant was clear, and then the precursor ZIF-8@ZIF-67 was dried at 60 \u00b0C in a vacuum oven for 6 h.\nSAC synthesis: 0.5 g ZIF-8@ZIF-67 was dissolved in 100 mL N,N-dimethylformamide solution (solution E). Meso-tetrakis(4-chlorophenyl) porphyrin-Ni(II) was dissolved in 100 mL N,N-dimethylformamide solution (solution F). Solution F was poured into solution E with stirring at room temperature for 24 h, centrifuged until the supernatant was clarified. The ZIF-8@Ni-Ni-porphyrin/ZIF-67 was dried at 60 \u00b0C for at least 6 h. Ni-Ni-porphyrin/ZIF-67 was obtained by calcination at 950 \u00b0C for 2 h in N2 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 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: Zn(NO3)2\u00b76H2O (5.58 g), Ir(acac)3 (970 mg), 2-methimidazole (6.16 g) were dissolved in methanol (150 mL). The mixed solution was stirred for 24 h at room temperature. The obtained precipitates were separated by centrifugation and washed with methanol three times. Finally, the precipitates were dried at 60 \u00b0C under vacuum overnight.\nSAC synthesis: In a typical procedure, ZIF-8/Ir was placed in a tube furnace and then heated to 950 \u00b0C for 3 h at a heating rate of 5 \u00b0C min -1 under flowing argon gas and then naturally cooled to room temperature. Then, the as-obtained powder was further diluted with HCl to remove metal particles.", + "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: Guanine was pyrolyzed in a tube furnace at 600\u00b0C for 1.5 h (Ar flow, 100 sccm). The obtained black powder was labeled as N-doped carbon (NC).\nSAC synthesis: Prepared by the impregnation-vacuum pyrolysis method, using 0.035 mol/L chloroiridic acid solution and NC substrate.", + "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: Zn(NO3)2\u00b76H2O (5.58 g), Co(NO3)2\u00b76H2O (2.73 g), C10H14NaO4 (2.41 g), and RuCl3\u00b7xH2O (0.09 g) were dissolved in 150 mL methanol solution and stirred evenly (solution A). 2-Methylimidazole (6.16 g) was dissolved in another 150 mL methanol solution and stirred well (solution B). Solution B was poured into solution A with stirring at room temperature for 24 h. Centrifugation was performed until the supernatant was clear, and then the precursor ZnRu-ZIF-8 was dried at 60 \u00b0C in a vacuum oven for 6 h.\nSAC synthesis: 0.5 g ZnRu-ZIF-8 was dissolved in 100 mL N,N-dimethylformamide solution (solution E). Meso-tetrakis(4-chlorophenyl) porphyrin-Zn(NO3)2\u00b76H2O (0.58 g) and Co(NO3)2\u00b76H2O (2.73 g) were dissolved in 100 mL N,N-dimethylformamide solution (solution F). Solution F was poured into solution E with stirring at room temperature for 24 h, centrifuged until the supernatant was clarified. The ZnCo-ZIF-8@ZnRu-ZIF-8 sample was dried at 60 \u00b0C for at least 6 h. Pyrolysis was performed at 950 \u00b0C for 3 h under flowing argon gas, and the final product Ru-Co/NC was obtained.", + "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: Zn(NO3)2\u00b76H2O (5.58 g), Pt(acac)2 (970 mg), and Mn(acac)3 (1.48 g) were dissolved in 150 mL methanol to form a clear solution, which was then added into 150 mL of methanol containing 2-methylimidazole (6.16 g). After vigorously stirring for 5 minutes, the mixed solution was kept at room temperature for 24 h. The obtained white precipitates were centrifuged and washed with ethanol three times and dried in vacuum at 60 \u00b0C overnight.\nSAC synthesis: Finally, the powder was annealed in a tube furnace at 900 \u00b0C under N2 for 3 h.", + "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: Zn(NO3)2\u00b76H2O (5.58 g), FeSO4\u00b77H2O (0.09 g), and MnSO4\u00b7H2O (0.12 g) were dissolved in 150 mL methanol as solution A. 2-methylimidazole (6.16 g) was dissolved in another 150 mL methanol as solution B. Solution B was added to solution A drop by drop. The mixed solution was stirred for 24 h, centrifuged, washed with methanol three times, and dried at 60 \u00b0C for 5 h.\nSAC synthesis: The Fe-Mn-Zn-ZIF precursor was heated at 920 \u00b0C for 2 h under N2 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 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 nitrate (AgNO3) was purchased from Daejung Chemicals & Metals.\nSAC synthesis: To prepare the Ag1/CN catalyst, 0.5 g of CN and 0.172 g of AgNO3 were dissolved in 10 mL of methanol. The resulting mixture was stirred for 12 h at room temperature, and then dried at 80 \u00b0C for 12 h. The dried powder was then calcined at 400 \u00b0C for 2 h under an Ar atmosphere.", + "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: Platinum precursor solution was prepared by mixing 100 mg of Pt(acac)2 into 3 mL of oleylamine (OA). The mixture was heated at 90 \u00b0C in an oil bath under magnetic stirring. After the mixture was cooled to room temperature, 500 mg of as-prepared carbon nanotubes (CNTs) were added into the solution. The mixture was sonicated for 1 h and then translated into a 50 \u00b0C water bath and translated back to room temperature. The product was collected by centrifugation and dried at 60 \u00b0C overnight.\nSAC synthesis: In a typical procedure, 100 mg of CNTs@Pt(acac)2 complexes were dispersed in 40 mL of benzenesulfonic acid (BSA) (98%) by ultrasonication for 30 min. The mixture was translated into a 50 \u00b0C water bath and heated for 1 h. Then, the mixture was translated into a 90 \u00b0C water bath and kept for 1 h. The product was collected by centrifugation and dried at 60 \u00b0C overnight. Finally, the product was pyrolyzed at 300 \u00b0C for 2 h under H2/Ar atmosphere with a ramp rate of 5 \u00b0C/min.", + "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 nitrate (AgNO3) was purchased from Daejung Chemicals & Metals.\nSAC synthesis: To prepare the Ag1/CN catalyst, 0.5 g of CN and 0.172 g of AgNO3 were dissolved in 10 mL of methanol. The resulting mixture was stirred for 12 h at room temperature, and then dried at 80 \u00b0C for 12 h. The dried powder was then calcined at 400 \u00b0C for 2 h under an Ar atmosphere.", + "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: Medium temperature coal tar pitch (C 92.2 wt%, H 4.6 wt%, N 1.1 wt%, O 2.1 wt% (by difference)) was supplied by Maanshan Iron & Steel Co., Ltd. Nickel (II) Chloride Hexahydrate (NiCl2\u00b76H2O), urea, sodium chloride (NaCl), ethanol absolute, nitric acid, Nafion solution (5.0 wt%), Nafion\u00ae 117 membranes, and deionized water were obtained from Sinopharm Chemical Reagent Co., Ltd., Sigma-Aldrich, and Hefei Jingchun Water Sales Co., Ltd., respectively.\nSAC synthesis: Ni/Ni-N-C-800 sample was prepared by the same synthesis route as that for NiO/Ni-N-C-800, except without nitric acid leaching and oxidation.", + "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: 0.6 g melamine, 1.5 g L-Cysteine, and 15 mg copper chloride dihydrate were first grounded into a homogeneous precursor by ZrO2 mortar ball for 2 h. 10 mL mixed solution of ethanol and hydrochloric acid (volume ratio 5:1) was added. The slurry continued to be grinded until the ethanol evaporated. The mixture was dried in an oven at 80 \u00b0C and ball milled again for 20 min. SAC synthesis: The fine powder mixture was subjected to a two-stage pyrolysis and carbonization process at the N2 atmosphere (first stage: from 25\u00b0C to 550 \u00b0C, maintain at 550 \u00b0C for 2 h, then heated to 800 \u00b0C for 120 min). The heating rate of the whole process at a rate of 2 \u00b0C/min. After cooling down to room temperature, the product was leached at 80 \u00b0C in 0.5 M H2SO4 to remove the unstable species.", + "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: 2.0 g of 2-methylimidazole and 200 mg phenanthroline (Phen) were dissolved in 40 mL methanol to form a clear solution at 60 \u2103 in a reflux system. 60 mg of iron nitrate nonahydrate (Fe(NO3)3\u00b79H2O) and 1.8 g zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O) were dissolved in 10 mL methanol to form a transparent solution. The two solutions were mixed and stirred for 24 h at room temperature. The precipitate was collected by centrifugation, washed with methanol several times, and dried overnight in an oven at 60 \u2103 to obtain the Fe-ZIF-8/Phen precursor.\nSAC synthesis: The as-obtained powder of Fe-ZIF-8/Phen precursors was loaded into a ceramic boat and placed in a tube furnace. The sample was heated to 950 \u2103 with a heating rate of 5 \u2103 min -1 and kept at 950 \u2103 for 3 h under flowing argon gas. The obtained black powder was named Fe-N-C/Phen.", + "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, Co(NO3)2\u00b76H2O, and acetylacetonate salts of different metals (Ni, Fe, Cu, Mn) were dissolved in a mixed solution of ethanol and methanol. 2-methylimidazole was dissolved in another mixed solution of ethanol and methanol. Solution A (containing metal salts) was added to NaCl and mixed, followed by drying at 70\u00b0C for 8 h. Solution B (containing 2-methylimidazole) was added to the mixture and stirred at 80\u00b0C for 2 h to precipitate ZIF-8. The product was collected by centrifugation, washed with ethanol, and dried at 60\u00b0C for 12 h.\nSAC synthesis: The as-synthesized ZIF-8@metal powder was subjected to a two-stage heat treatment: Holding at 550\u00b0C (2\u00b0C min^-1) for 1 h. Then heating to 920\u00b0C (5\u00b0C min^-1) for 3 h under an Ar environment. The final product, Co single atoms (SAs) anchored on nitrogen-doped carbon (Co-SAs/N-C), was obtained.", + "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: 1.8 mmol of zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O, Sinopharm Chemical Reagent Co., Ltd.) was dissolved in 24 mL of methanol under stirring to form solution A. 0.9 mmol of cobalt nitrate hexahydrate (Co(NO3)2\u00b76H2O, Sinopharm Chemical Reagent Co., Ltd.) and 0.15 mmol of manganese acetate tetrahydrate (Mn(CH3COO)2\u00b74H2O, Sinopharm Chemical Reagent Co., Ltd.) were dissolved in 12 mL of methanol under ultrasonic mixing for 15 min to form solution B. Solution A was then added into solution B. The mixed solution was then vigorously stirred at room temperature for 24 h. The obtained precursor was centrifuged and washed with methanol three times and finally dried at 60 \u00b0C for 5 h. SAC synthesis: The precursor was then transferred into a ceramic crucible and placed in an argon-filled tube furnace. The powder was heated from room temperature to 900 \u00b0C with a heating rate of 5 \u00b0C/min and further annealed at 900 \u00b0C for 3 h under an argon atmosphere with a flow rate of 30 mL/min. The annealed sample was then collected and named as Mn-SACo/TiO2.", + "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: 1.8 mmol of ZnCl2 was dissolved in 24 mL of deionized water under magnetic stirring at 70 \u00b0C. 0.75 mmol of melamine (MA) was added to the above solution and stirred for 1 h. The resulting mixture was transferred into a Teflon-lined stainless steel autoclave and reacted at 180 \u00b0C for 24 h. The obtained white precipitate was centrifuged, washed with N, N-Dimethylformamide (DMF) and ethanol three times, and dried at 60 \u00b0C overnight.\nSAC synthesis: The FeSA/FeAC-NSC catalyst was prepared by pyrolyzing the MOF structure that had been designed and fabricated. Specifically, the FeSA/FeAC-NSC catalyst was prepared by the high-temperature gas-migration strategy, which involves the direct pyrolysis of two precursors, namely iron-doped ZIF-8 (Fe-ZIF) and melamine (MA). In detail, the FeSA/FeAC-NSC catalyst was prepared by the direct pyrolysis of Fe-ZIF and MA at 900 \u00b0C under Ar atmosphere.", + "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: 1.8 mmol of ZnCl2 was dissolved in 24 mL of deionized water under magnetic stirring at 70 \u00b0C. 0.75 mmol of melamine (MA) was added to the above solution and stirred for 1 h. The resulting mixture was transferred into a Teflon-lined stainless steel autoclave and reacted at 180 \u00b0C for 24 h. The obtained white precipitate was centrifuged, washed with N, N-Dimethylformamide (DMF) and ethanol three times, and dried at 60 \u00b0C overnight.\nSAC synthesis: The Ni single atom decorated TiO2 nanosheets were prepared by electrospinning method. A certain amount of Ni/TiO2 powder (0.3 g), polyvinylpyrrolidone (PVP, 0.6 g) and polysulfone (PS, 0.6 g) were dissolved in 15 mL of DMF using magnetic stirring at 70 \u00b0C overnight. Then, this mixed solution was transferred into a 20 mL syringe. The distance between the syringe needle and the collector (tin foil) was 15 cm. The applied potential for the electrospinning process was set to be 14 kV. And the feeding rate was set to be 1.0 mL h -1. The electrospinning process duration was fixed at 3 h. Finally, the NiSA decorated TiO2 nanosheets powder was collected for further use.", + "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: 1.8 mmol of zinc nitrate hexahydrate was dissolved in 24 mL of methanol. 0.75 mmol of copper nitrate trihydrate and 0.375 mmol of cobalt nitrate hexahydrate were added to the above solution under vigorous stirring for 1 h at room temperature. 16 mmol of 2-methylimidazole was then added. The mixed solution was transferred into a 50 mL Teflon-lined stainless-steel autoclave and sealed at 120 \u00b0C for 4 h. The obtained precipitate was centrifuged, washed with methanol several times, and dried at 60 \u00b0C overnight.\nSAC synthesis: Finally, the powder was annealed at 900 \u00b0C under Ar atmosphere for 2 h.", + "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: 10 mL of tetrabutyl titanate and 3.5 mL of hydrofluoric acid solution (47%) were mixed under stirring in a dried Telfon-lined autoclave (25 ml) and heated at 200 \u00b0C with stirring for 24 h. After cooling, the white precipitates were separated by high-speed centrifugation and washed with ethanol and distilled water several times. Finally, the powder was dispersed in 0.1 M NaOH aqueous solution and stirred for 8 h at room temperature. The power was recovered by high speed centrifugation, washed with distilled water and ethanol several times and finally dried at vacuum oven for 12 h.\nSAC synthesis: An aqueous suspension of TiO2 nanosheets was prepared by adding 0.5 g TiO2 nanosheets into 60 mL deionized water. Several drops of a 0.1M NaOH solution were used to adjust the pH value of the suspension to 8-8.5. 25 mg RuCl3\u00b7xH2O was dissolved in 20 mL deionized water to form a solution. 100 \u03bcL of this solution was added into 10 mL of TiO2 suspension under vigorous stirring. Afterwards, the mixture was irradiated by UV light for 16 h during stirring. The power was collected via high speed centrifugation and washed with distilled water several times. Finally, the samples were obtained after drying at vacuum oven for 12 h and calcined at 350 oC for 2h in air.", + "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: 1.8 mmol of cobalt nitrate hexahydrate (Co(NO3)2\u00b76H2O, Sinopharm Chemical Reagent Co., Ltd.) was added during the hydrothermal process.\nSAC synthesis: The synthesis of Co-TiO2 was the same as that of TiO2 except that 1.8 mmol of cobalt nitrate hexahydrate (Co(NO3)2\u00b76H2O, Sinopharm Chemical Reagent Co., Ltd.) was added during the hydrothermal process. The gel was transferred into a Teflon autoclave and kept at 180 \u00b0C for 36 h. After natural cooling, the powder was centrifuged and alternately washed with deionized water and ethanol. Finally, the powder was dispersed in 0.1 M of sodium hydroxide (NaOH, Sinopharm Chemical Reagent Co., Ltd.) aqueous and stirred for 8 h. The power was recovered by filtration, washed with deionized water and ethanol for several times, and dried at 60 \u2103 for 12 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: Ti3AlC2 (1 g) was slowly added to the etching solution (2 g LiF dissolved in 20 mL HCl) under continuous magnetic stirring for 24 h. The resulting mixture was washed using deionized water and centrifuged at 3500 rpm several times until the pH of the supernatant was >6. The obtained precipitates were dried in a vacuum oven at 60 \u00b0C for 24 h. The dry powder was exfoliated by adding to 20 mL citric acid solution and stirring for 30 min, followed by washing with deionized water and drying in a vacuum oven at 60 \u00b0C for 24 h. The exfoliated powder was then calcined at 900 \u00b0C for 2 h under an argon atmosphere with a heating rate of 5 \u00b0C min-1. The calcined powder was naturally cooled to room temperature and denoted as Ti3C2Tx.\nSAC synthesis: RuSA@Ti3C2Tx were prepared by anchoring Ru single atoms on the surface of Ti3C2Tx. Briefly, 0.1 mg RuCl3\u00b7xH2O was mixed with 20 mL ethanol and stirred for 30 min. Then, 0.2 mg Ti3C2Tx was added to the above solution and stirred for another 30 min. The mixture was then dried at 80 \u00b0C for 24 h. Finally, the dried powder was reduced at 300 \u00b0C for 2 h under an argon atmosphere with a heating rate of 5 \u00b0C min-1. The final product was denoted as RuSA@Ti3C2Tx.", + "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: H2PtCl6\u00b76H2O (0.1 g mL-1)\nSAC synthesis: The same procedure was used for synthesis of Pt1/Ti3C2Tx by using 2 \u03bcL H2PtCl6\u00b76H2O (0.1 g mL-1) instead of 10 \u03bcL H2PtCl6\u00b76H2O (0.1 g mL-1) in solution B.", + "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: 6 g lithium fluoride (LiF) was slowly added to 120 mL concentrated hydrochloric acid (HCl, 12 M) and stirred slowly in an ice water bath for 10 minutes. The etching solution was kept in an ice water bath, and 3 g Ti3AlC2 was slowly added to the etching solution, and then the water bath was heated to 42\u00b0C and etched continuously for 25 hours. After etching, the obtained multi-layer Ti3C2Tx nanosheets were washed with hydrochloric acid and deionized water to remove excess LiF and other low-boiling impurities, and the precipitate was obtained by washing until the pH is about 6.5. Multi-layer Ti3C2Tx nanosheets were added to a certain amount of deionized water for ultrasonic exfoliation, which were then centrifuged at 3500 rpm for 1 hour. The upper suspension was collected and centrifuged again at 12,000 rpm for 30 min to fully remove the unexfoliated and multilayer Ti3C2Tx nanosheets, obtaining single/few-layer Ti3C2Tx nanosheets powder.\nSAC synthesis: 100 mg Ti3C2Tx MXene powder was placed in 15 mL deionized water, followed by ultrasonication for 30 minutes to form a uniform suspension. Then 10 mg FeCl3\u00b76H2O was added and stirred for 30 minutes. Then 100 mg melamine was added and stirred for 1 hour to make the precursor material evenly mixed. Then, ultrasound was performed in an ice water bath for 30 minutes. The samples were freeze-dried for 48 hours to obtain Fe-Ti3C2Tx-MA. The obtained Fe-Ti3C2Tx-MA powder was placed in a tubular furnace for annealing at 900 \u00b0C for 2 hours under Ar atmosphere. The final product Fe-N-Ti3C2Tx was obtained.", + "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: 6 g lithium fluoride (LiF) was slowly added to 120 mL concentrated hydrochloric acid (HCl, 12 M) and stirred slowly in an ice water bath for 30 minutes. The etching solution was kept in an ice water bath, and 3 g Ti3AlC2 was slowly added to the etching solution, and then the water bath was heated to 42\u00b0C and etched continuously for 25 hours. After etching, the obtained multi-layer Ti3C2Tx nanosheets were washed with hydrochloric acid and deionized water to remove excess LiF and other low-boiling impurities, and the precipitate was obtained by washing until the pH is about 6.5. Multi-layer Ti3C2Tx nanosheets were added to a certain amount of deionized water for ultrasonic exfoliation, which were then centrifuged at 3500 rpm for 1 hour. The upper suspension was collected and centrifuged again at 12,000 rpm for 30 min to fully remove the unexfoliated and multilayer Ti3C2Tx nanosheets, obtaining the single/few-layer Ti3C2Tx nanosheet powder.\nSAC synthesis: 100 mg Ti3C2Tx MXene powder was placed in 15 mL deionized water, followed by ultrasonication for 30 minutes to form a uniform suspension. Then 0.25 mmol CoCl2\u00b76H2O was added to the suspension, stirred for 30 minutes, and then freeze-dried for 48 hours to obtain Co-Ti3C2Tx. The samples were treated in Ar atmosphere at 700 \u00b0C for 2 h to yield CoSA-Ti3C2Tx.", + "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: 6 g lithium fluoride (LiF) was slowly added to 120 mL concentrated hydrochloric acid (HCl, 12 M) and stirred slowly in an ice water bath for 10 minutes. The etching solution was kept in an ice water bath, and 3 g Ti3AlC2 was slowly added to the etching solution, and then the water bath was heated to 42\u00b0C and etched continuously for 25 hours. After etching, the obtained multi-layer Ti3C2Tx nanosheets were washed with hydrochloric acid and deionized water to remove excess LiF and other low-boiling impurities, and the precipitate was obtained by washing until the pH is about 6.5. Multi-layer Ti3C2Tx nanosheets were added to a certain amount of deionized water for ultrasonic exfoliation, which were then centrifuged at 3500 rpm for 1 hour. The upper suspension was collected and centrifuged again at 12,000 rpm for 30 min to fully remove the unexfoliated Ti3C2Tx particles, obtaining single/few-layer Ti3C2Tx nanosheets powder.\nSAC synthesis: 100 mg Ti3C2Tx MXene powder was placed in 10 mL deionized water, followed by adding 10 mg NiCl2\u00b76H2O, and stirred for 30 min. Then, ultrasound was performed in an ice water bath for 30 min. The samples were centrifuged at 3500 rpm for 1 hour. The upper suspension was collected and centrifuged again at 12,000 rpm for 30 min to fully remove the unexfoliated NiCl2\u00b76H2O molecules, obtaining Ni-Ti3C2Tx nanosheets.", + "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: 0.3 g of zinc nitrate hexahydrate was dissolved in 2 mL deionized water, and different amounts of chloroauric acid trihydrate were added to achieve Au/Zn molar ratios of 0.01 and 0.001. 5.67 g of 2-methylimidazole was prepared in 20 mL of deionized water. The two solutions were mixed together and stirred for 10 min. The obtained white precipitate was centrifuged at 20,000 rpm for 10 min and washed with methanol three times. The white precipitate was suspended with 5 mL deionized water and mixed with 1 mL 0.476 M sodium borohydride solution for 3 h with stirring. The light violet precipitate was centrifuged and washed with methanol two times. In the end, the collected slurry was dried in a lyophilizer for a day and stored in ambient atmosphere for further use.\nSAC synthesis: 0.01Au@NC(800 \u00b0C) and 0.01Au@CeO2(800 \u00b0C) were prepared from Au@ZIF-8 with Au/Zn molar ratio of 0.01, which were later carbonized under an atmosphere of N2 at 800 \u00b0C for 4 h, with heating rates of 5 \u00b0C min-1. The carbonized product was stored for further test.", + "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: 1.736 g of Ce(NO3)3\u00b76H2O (6 mmol) was dissolved in 10 mL of deionized water and stirred for 30 min at room temperature. Then, 19.2 g of NaOH (80 mmol) was added to the solution and stirred for another 30 min. After that, 40 mL of H2O2 solution (30 wt.%) was added to the solution, and the color of the solution changed from dark brown to pale yellow. After that, the solution was filtered and washed with deionized water several times until the filtrate became neutral. Then, the precipitates were dried at 100 \u00b0C overnight and calcined in air at 500 \u00b0C for 5 h. Finally, CeO2 support was obtained by drying and calcining processes.\nSAC synthesis: Pt-loaded catalysts were prepared by using a conventional wet impregnation method. In detail, 20 mg of CeO2 powder was slowly added into a 1.93 \u00d7 10 -2 MH2PtCl6 aqueous solution (the molar ratio of H2/Pt = 8:1). Then, the mixture was stirred at room temperature for 24 h. The obtained samples were first washed with deionized water several times and then dried at vacuum oven at 50 \u00b0C for 5 h. Finally, the sample was reduced in pure H2 (flow rate = 200 mL/min) at 200 \u00b0C 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 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: 1.5 g of argon nitrate was dissolved in 40 mL of water and stirred for 30 min at room temperature. 20 mL of aqueous solution containing 0.6 g of hexamethylenetetramine was added dropwise into the above aqueous solution. The mixture was transferred into a Teflon-lined autoclave and hydrothermally treated at 95 \u00b0C for 8 h. The obtained precipitates were washed with ethanol and deionized water several times to remove excessive urea and dried at 60 \u00b0C overnight. SAC synthesis: The dried precipitates were subjected to a two-stage exfoliation strategy. 1 g of the dried precipitates were firstly dispersed in 40 mL of deionized water under ultrasonication for 30 min, then 0.2 g of potassium chloride (KCl) was added to the above mixture. The mixture was ultrasonicated for another 30 min and stirred for 12 h at room temperature. The as-obtained samples were centrifuged and washed with deionized water several times and dried at 60 \u00b0C overnight. Then these samples were further mixed with KOH at a mass ratio of 1:2, followed by heating at 90 \u00b0C for 2 h. After cooling down to room temperature, the product was purified by Ar gas for the purpose of substituting KCl for FeCl3. Finally, the sample was collected by centrifugation and washed with deionized water several times, then dried at 60 \u00b0C overnight. In a typical procedure, 10 mg of the above powder was placed on a porcelain boat and calcinated at 700 \u00b0C for 2 h with a heating rate of 5 \u00b0C/min under flowing N2 gas. The as-prepared products were denoted as Fe-SA@N-G.", + "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: 0.2 g glucose, 2 g dicyandiamide, and the same moles of Cobalt chloride hexahydrate (CoCl2\u00b76H2O) as Nickel chloride hexahydrate (NiCl2\u00b76H2O) were dispersed in 70 mL deionized water and stirred for 12 h to get a homogeneous solution.\nSAC synthesis: The solution was quickly frozen by liquid nitrogen and freeze-dried in a freeze dryer with vacuum. Afterward, the resultant powders were pyrolyzed at 550 \u00b0C for 2 h and 800 \u00b0C for 2 h under a flowing Ar atmosphere. The as-obtained product was denoted as Co SAs/AC@NG.", + "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: To a suspension of 4 (1.97 g, 4.0 mmol) in 6 mL dry n-pentanol, DBU (1.2 mL, 8.0 mmol) was added under N2 at room temperature. The mixture was heated at 155 \u00b0C for 2 h, cooled to room temperature, and the solvent was removed by reduced pressure. The resulting solid was washed with hexane three times and dried under vacuum overnight to give 5 as a colorless powder (1.71 g, 3.5 mmol, 82%).\nSAC synthesis: A solution of 6 (0.26 g, 0.40 mmol) in 10 mL dry CH2Cl2 was cooled to -78 \u00b0C, treated with AgBF4 (0.16 g, 0.80 mmol), and stirred for 1 h. Then, the mixture was warmed up to room temperature and was stirred for another 1 h. The solid was separated by centrifugation, washed with hexane twice, and dried under vacuum overnight to give 7 as a white powder (0.22 g, 0.38 mmol, 95%). A solution of 7 (0.12 g, 0.20 mmol) in 10 mL dry CH2Cl2 was cooled to -78 \u00b0C, treated with diethyl ether (1.5 mL, 12.0 mmol), and stirred for 1 h. Then, the mixture was warmed up to room temperature and was stirred for another 1 h. The solid was separated by centrifugation, washed with hexane twice, and dried under vacuum overnight to give 8 as a yellow powder (0.10 g, 0.18 mmol, 90%). To a solution of 8 (0.06 g, 0.09 mmol) in 10 mL dry THF was added dropwise n-BuLi (0.06 M in hexane, 0.09 mL, 0.13 mmol) at -78 \u00b0C. The reaction mixture was stirred for 1 h at -78 \u00b0C and then stirred for 2 h at room temperature. The solid was separated by centrifugation, washed with hexane twice, and dried under vacuum overnight to give 9 as a red powder (0.05 g, 0.08 mmol, 85%). To a blue suspension of 9 (0.02 g, 0.03 mmol) in 10 mL dry THF was added dropwise t BuLi (0.01 M in hexane, 0.01 mL, 0.01 mmol) at -78 \u00b0C. The reaction mixture was stirred for 1 h at -78 \u00b0C and then stirred for 2 h at room temperature. The solid was separated by centrifugation, washed with hexane twice, and dried under vacuum overnight to give 10 as a yellow powder (0.01 g, 0.01 mmol, 10%). To a solution of 10 (0.01 g, 0.01 mmol) in 10 mL dry THF was added dropwise PPh3 (0.01 M in hexane, 0.01 mL, 0.01 mmol) at -78 \u00b0C. The reaction mixture was stirred for 1 h at -78 \u00b0C and then stirred for 2 h at room temperature. The solid was separated by centrifugation, washed with hexane twice, and dried under vacuum overnight to give 11 as a white powder (0.01 g, 0.008 mmol, 8%). To a solution of 11 (0.008 g, 0.002 mmol) in 10 mL dry THF was added dropwise Zn(BF4)2\u00b76H2O (0.01 M in hexane, 0.01 mL, 0.01 mmol) at -78 \u00b0C. The reaction mixture was stirred for 1 h at -78 \u00b0C and then stirred for 2 h at room temperature. The solid was separated by centrifugation, washed with hexane twice, and dried under vacuum overnight to give 12 as a white powder (0.008 g, 0.001 mmol, 5%). To a solution of 12 (0.002 g, 0.0004 mmol) in 10 mL dry THF was added dropwise HBF4 (0.01 M in hexane, 0.01 mL, 0.01 mmol) at -78 \u00b0C. The reaction mixture was stirred for 1 h at -78 \u00b0C and then stirred for 2 h at room temperature. The solid was separated by centrifugation, washed with hexane twice, and dried under vacuum overnight to give 13 as a yellow powder (0.002 g, 0.0003 mmol, 7%). To a solution of 13 (0.001 g, 0.0001 mmol) in 10 mL dry THF was added dropwise diethyl ether (1.5 mL, 12.0 mmol) at -78 \u00b0C. The mixture was stirred for 1 h at -78 \u00b0C and then stirred for 2 h at room temperature. The solid was separated by centrifugation, washed with hexane twice, and dried under vacuum overnight to give 14 as a colorless powder (0.001 g, 0.0001 mmol, 1%). To a solution of 14 (0.0001 g, 0.00004 mmol) in 10 mL dry THF was added dropwise PPh3 (0.01 M in hexane, 0.01 mL, 0.012 mmol) at -78 \u00b0C. The reaction mixture was stirred for 1 h at -78 \u00b0C and then stirred for 2 h at room temperature. The solid was separated by centrifugation, washed with hexane twice, and dried under vacuum overnight to give 15 as a white powder (0.0001 g, 0.00003 mmol, 2%). To a solution of 15 (0.0001 g, 0.00001 mmol) in 10 mL dry THF was added dropwise t BuLi (0.01 M in hexane, 0.01 mL, 0.01 mmol) at -78 \u00b0C. The reaction mixture was stirred for 1 h at -78 \u00b0C and then stirred for 2 h at room temperature. The solid was separated by centrifugation, washed with hexane twice, and dried under vacuum overnight to give 16 as a yellow powder (0.0001 g, 0.00001 mmol, 5%). To a solution of 16 (0.0001 g, 0.00001 mmol) in 10 mL dry THF was added dropwise Zn(BF4)2\u00b76H2O (0.01 M in hexane, 0.01 mL, 0.01 mmol) at -78 \u00b0C. The reaction mixture was stirred for 1 h at -78 \u00b0C and then stirred for 2 h at room temperature. The solid was separated by centrifugation, washed with hexane twice, and dried under vacuum overnight to give 17 as a white powder (0.0001 g, 0.00001 mmol, 1%). To a solution of 17 (0.0001 g, 0.00001 mmol) in 10 mL dry THF was added dropwise HBF4 (0.01 M in hexane, 0.01 mL, 0.01 mmol) at -78 \u00b0C. The reaction mixture was stirred for 1 h at -78 \u00b0C and then stirred for 2 h at room temperature. The solid was separated by centrifugation, washed with hexane twice, and dried under vacuum", + "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: To a suspension of 4 (1.97 g, 4.0 mmol) in 6 mL dry n-pentanol, 2,5-hexanedione (1.6 mL, 8.0 mmol) was added at room temperature and the mixture was refluxed for 3 h. After being cooled to room temperature, the precipitate was filtered and washed with hexane, then dried under vacuum at room temperature overnight to afford 5 as a yellow powder (1.76 g, 76%).\nSAC synthesis: A solution of 6 (1.00 g, 2.0 mmol), Pd(OAc)2 (20 mg, 0.08 mmol), and CTAB (2 mg, 0.008 mmol) in 10 mL water was stirred for 1 h, then a solution of 7 (36 mg, 0.08 mmol) in 2 mL water was added. The resulting mixture was stirred for another 2 h at room temperature, then the product was collected by centrifugation and washed with methanol three times, finally dried under vacuum at room temperature overnight to afford 8 as a red powder (0.76 g, 68%).", + "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: 500 mg Black Pearls 2000 (BP) were refluxed in a 80 ml 80% H3PO4 solution at 110\u00b0C for 1 h and continuously stirred at 5\u00b0C for 40 h. The mixture was filtered and washed with deionized water several times, and dried in vacuum at 60\u00b0C for 12 h. Then the precipitate was pyrolyzed at 900 \u00b0C under Ar atmosphere for 1 h. The obtained sample was named as BP(HPO4).\nSAC synthesis: A 100 mg portion of BP(HPO4) was dispersed in 50 ml ethanol solution containing 100 mg Ni(acac)2 by sonifier cell disrupter for 10 min. Then the precipitate was stirred at room temperature for 12 h. After that, the precipitate was collected by filter and washed with ethanol several times, and then dried in vacuum at 60\u00b0C overnight. Finally, the precipitate was pyrolyzed at 900 \u00b0C under Ar atmosphere for 3h. The obtained sample was named as BP(Ni-HPO4).", + "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: 500 mg Black Pearls 2000 (BP) were refluxed in a 80 ml 80% H3PO4 solution at 110\u00b0C for 24 h and continuously stirred at 50\u00b0C for 40 h to remove unstable functional groups. The treated BP was repeatedly washed with water during vacuum filtration and dried in an oven at 60\u00b0C for overnight. Then, the activated BP was placed in a tube furnace and carbonized under a nitrogen flow (75 sccm) at 900 \u00b0C for 1 h to obtain NC.\nSAC synthesis: A mixture of 150 mg NC and 300 mg dicyandiamide (DCD) was sealed in a tube furnace and heated to 900 \u00b0C for 1 h under a nitrogen flow (75 sccm). After cooling down naturally, the obtained powder (Zn-N@NC) was soaked in 20 ml 0.5 M H2SO4 solution for 8 h to remove metal particles or clusters. Then, the obtained sample was washed with ultrapure water several times and ethanol twice. Finally, the Zn-N@NC sample was dried in a vacuum oven at 60 \u00b0C before use.", + "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: Ti3AlC2 (1 g) was slowly added to the etching solution (2 g LiF dissolved in 20 mL HCl) under continuous magnetic stirring for 24 h. The resulting mixture was washed using deionized water and centrifuged at 3500 rpm several times until the pH of the supernatant was >6. The obtained precipitates were dried in a vacuum oven at 60 \u00b0C for 24 h. The dry powder was exfoliated by adding to 20 mL citric acid solution and stirred for 8 h, then centrifuged at 3500 rpm several times until the pH of the supernatant was >6. The obtained precipitates were dried in a vacuum oven at 60 \u00b0C for 24 h. The dry powder was annealed at 900 \u00b0C under Ar flow at a heating rate of 5 \u00b0C min-1 for 2 h. The sample is designated as Ti3C2Tx.\nSAC synthesis: ZnCl2 (10 mg), Ti3C2Cl2 (20 mg), and CTAB (25 mg) were added to 20 mL ultrapure water and sonicated for 1 h. Then, 10 mL of ethanol was added to the above solution and stirred for another 1 h. Then, 100 mg of Cu(acac)2 was added to the above solution and stirred for 3 h. Then, 1 mL of TEOS was added dropwise to the above solution and reacted for 2 h. The product was collected by centrifugation and washed with ethanol and water. After drying in a vacuum oven at 60 \u00b0C for 12 h, the desired sample was finally obtained and designated as Cu SA/Ti3C2@SiO2. To compare, Cu SA/Ti3C2 was prepared without adding SiO2. The Cu SA/Ti3C2@SiO2 was prepared with adding SiO2.", + "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: 0.125 g F127 was dissolved in 60 mL DI water at 40 \u00b0C. 1 g g-CD and PPDA at a 1:2 molar ratio were added, followed by stirring overnight to produce a homogeneous solution. This complex was transferred into a Teflon autoclave and held at 220 \u00b0C for 6 h. After cooling to room temperature, the product was collected by vacuum filtration and washed with DI water.\nSAC synthesis: The as-synthesized nanoparticles (serving as the carbon intermediate) were mixed with dicyanamide at a mass ratio of 1:10. The mixture was annealed under Ar atmosphere at 800 \u00b0C for 2 h. The resulting powder was then mixed with KOH at a mass ratio of 1:2 and annealed again using the same procedure. Finally, the product was washed with HCl to remove any residuals and dried thoroughly at room temperature.", + "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: 0.5 g of cetyltrimethylammonium bromide (CTAB) was dissolved in 70 mL of a mixed solvent of water and methanol (1:1 v/v). 5 mL of Co(CH3COO)2\u00b74H2O (0.3 M/L) aqueous solution was added to the above solution. After stirring for 30 min, a mixed solution containing 10 mL of 2-methylimidazole solution (1.2 M/L) and a certain amount of triethylamine (TEA) was added to the above solution and kept stirring for 4 h. The product was collected via centrifugation, washed with ethanol, and dried in a vacuum oven at 60 \u00b0C overnight.\nSAC synthesis: The mixture powder of as-synthesized ZIF-67 and polyacrylonitrile (PAN) at a mass ratio of 1:1 was dispersed in 20 mL of N, N-dimethylformamide (DMF). 0.2 mmol of Ni(NO3)2\u00b76H2O was added to the above solution and stirred for 6 h. The product was collected by centrifugation, washed with ethanol, and dried in a vacuum oven at 60 \u00b0C overnight. A certain amount of the above powder was then pyrolyzed in a tube furnace at 900 \u00b0C under Ar atmosphere. The obtained product was etched in 2 M HCl solution for 8 h, followed by washing with deionized water and annealing in Ar atmosphere at 900 \u00b0C for another 2 h.", + "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: 0.125 g F127 was dissolved in 60 mL DI water at 40 \u00b0C. 1 g g-CD and PPDA at a 1:2 molar ratio were added, followed by stirring overnight to produce a homogeneous solution. This complex was transferred into a Teflon autoclave and held at 220 \u00b0C for 6 h. After cooling to room temperature, the product was collected by vacuum filtration and washed with DI water.\nSAC synthesis: The as-synthesized nanoparticles (NPs) were carbonized in flowing Ar in a tube furnace using a heating rate of 2 \u00b0C min^-1 up to 800 \u00b0C, dwell time of 2 h.", + "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: 0.4 mmol Ni(NO3)2\u00b76H2O, 0.1 mmol FeCl3 were dissolved in a mixture solution of 28 mL DMAC, 1 mL H2O, and 1 mL ethanol. 1.2 mmol 1,4-BDC organic ligands were added to the solution. The well-mixed solution was transferred into a 50 mL Teflon vessel. One piece clean Ni foam (2 \u00d7 3 cm\u00b2) was placed in the vessel. The vessel was sealed in a stainless autoclave and reacted at 140 \u00b0C for 6 h. After the reaction, Ni foam was washed thoroughly with water and ethanol.\nSAC synthesis: The synthesis followed the similar procedure of Mo1-NiFeOxHy except that the annealing treatment was performed under inert atmosphere (100% Ar).", + "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: 40 ml methanol solution containing 3.25 g 2-methylimidazole was quickly added into another 20 ml methanol solution with 1.5 g Zn(NO3)2\u00b76H2O and 14.95 mg Ni(NO3)2\u00b76H2O under stirring. The mixed solution was then stirred for 24 hours at room temperature. The obtained precursor was centrifuged and washed with ethanol three times and finally dried at 60 \u00b0C under vacuum for overnight. SAC synthesis: The precursor was heated to 900 \u00b0C in an argon atmosphere for 2 hours and cooled down to room temperature. Then the product was purified by 0.5 hydrochloric acid at 80 \u00b0C for 12 hours to remove unstable species. Finally, the Ni-N4/NC sample was obtained after washing with deionized water several times and drying under vacuum overnight.", + "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: In a typical synthesis, 3.7 mmol Cu(NO3)2\u00b73H2O was dissolved in 50 mL methanol, to which a 55 mL H3BTC solution (2.05 mmol H3BTC, V methanol: V DMF = 10:1) was added under stirring. After stirring for 24 h at room temperature, Cu-BTC was obtained after filtration, washing with methanol and drying under vacuum at 70\u00b0C.\nSAC synthesis: Typically, activated carbon (0.025 g) was dispersed in 2 mL methanol solution of Cu(NO3)2\u00b73H2O (0.7 mM) which was subject to rotary evaporated at 70\u00b0C. The obtained hybrid was pyrolyzed at 800\u00b0C for 120 min under N2 atmosphere. The resultant sample was dispersed in 1 mL ethanol solution of Co2(CO)8 (0.002 mM) for further rotary evaporation at 70\u00b0C followed by the addition of 5 mL methanol solution of urea (0.2 g). After evaporation, the obtained powder was heated at 500\u00b0C for 120 min under N2 atmosphere to yield Cux/Cox@NAC.", + "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: In a typical synthesis, 3.7 mmol Cu(NO3)2\u00b73H2O was dissolved in 50 mL methanol, to which a 55 mL H3BTC solution (2.05 mmol H3BTC, V methanol: V DMF = 10:1) was added under stirring. After stirring for 24 h at room temperature, Cu-BTC was obtained after filtration, washing with methanol and drying under vacuum at 70\u00b0C.\nSAC synthesis: Typically, activated carbon (0.025 g) was dispersed in 2 mL methanol solution of Cu(NO3)2\u00b73H2O (0.7 mM) which was subject to rotary evaporated at 70\u00b0C. The obtained hybrid was pyrolyzed at 800\u00b0C for 120 min under N2 atmosphere. The resultant sample was dispersed in 1 mL ethanol solution of Co2(CO)8 (0.002 mM) for further rotary evaporation at 70\u00b0C followed by the addition of 5 mL methanol solution of urea (0.2 g). After evaporation, the obtained powder was heated at 500\u00b0C for 120 min under N2 atmosphere to yield Cux/Cox@NAC.", + "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: 40 ml methanol solution containing 3.25 g 2-methylimidazole was quickly added into another 20 ml methanol solution with 1.5 g Zn(NO3)2\u00b76H2O and 14.95 mg Co(NO3)2\u00b76H2O under stirring for 24 h at room temperature. The obtained precipitates were centrifuged, washed with ethanol several times, and dried in vacuum at 60\u00b0C for 8 h. The obtained sample was noted as Co-ZIF-8/Zn-ZIF-8.\nSAC synthesis: The pyrolyzed Co-ZIF-8/Zn-ZIF-8 powder was etched by 3M HCl solution for 12 h to remove Zn species. Then it was further etched by 3M HNO3 solution for 12 h to obtain the final product of CoNi-DACs/NC.", + "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: 40 ml methanol solution containing 3.25 g 2-methylimidazole was quickly added into another 20 ml methanol solution with 1.5 g Zn(NO3)2\u00b76H2O and 14.95 mg Ni(NO3)2\u00b76H2O under stirring. The mixed solution was then stirred for 24 hours at room temperature. The obtained precursor was centrifuged and washed with ethanol three times and finally dried at 60 \u00b0C under vacuum for overnight. SAC synthesis: The precursor was heated to 900 \u00b0C in an argon atmosphere for 2 hours and cooled down to room temperature. Then the product was purified by 0.5 hydrochloric acid at 80 \u00b0C for 12 hours to remove unstable species. Finally, the Ni-N4/NC sample was obtained after washing with deionized water several times and drying under vacuum overnight.", + "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: 1.32 mL of 16 mg mL -1 NiCl2\u00b76H2O solution was introduced to 100 mg of opened SWCNTs.\nSAC synthesis: Single-wall carbon nanotubes (SWCNTs) (Tuball \u2122 ) were purchased from OCSiAl, with an average diameter of 1.6 nm and length >5 \u03bcm. The as-received (ar) samples (directly received from the manufacturer) were used for TEM characterization and ICP-OES tests. To prepare the sample for catalyst deposition, the ar-sample was first oxidized in a H2SO4:HNO3 mixture for 4 h, then washed with deionized water until the filtrate was pH 7, and dried producing opened samples. These samples were then used to deposit Ni and Pt using a high-temperature impregnation method. A total of 100 mg of opened samples were weighed and dispersed in 100 mL of deionized water. Then, 1.32 mL of 16 mg mL -1 NiCl2\u00b76H2O solution was added to the above solution and stirred at 80 \u00b0C for 1 h. After that, 1 mL of 16 mg mL -1 H2PtCl6 solution was added to the above solution and kept stirring at 80 \u00b0C for 1 h. The resulting NiPt/Ni-NPs/NCNTs samples were separated by centrifugation, washed repeatedly with deionized water, and dried in a vacuum oven.", + "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: 0.1 g of CNT and 0.08 g of CoPc were dissolved in 80 mL ethanol by sonication for 1 h at room temperature. The mixture was stirred at room temperature for 24 h and dried at 60 \u00b0C for further use.\nSAC synthesis: The obtained black powder was placed in a tube furnace and then heated to 900 \u00b0C for 2 h at the heating rate of 5 \u00b0C/min under flowing Ar gas and then naturally cooled to room temperature. Then, the product was further mixed with KOH at the mass ratio of 1:1 and then heated again at 900 \u00b0C for 2h under flowing air gas. Finally, the product was collected and marked as CoPc@NCNT.", + "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: 0.1 g of ZIF-8 is added to 10 mL of 0.01 M Co(NO3)2\u00b76H2O and 0.05 M Fe(NO3)3\u00b79H2O solution and stirred for 12 h at room temperature.\nSAC synthesis: The mixture is then dried at 80 \u00b0C for 12 h. The dried product is calcined at 900 \u00b0C for 2 h under an Ar atmosphere with a heating rate of 5 \u00b0C min\u22121.", + "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: 200 mg of multi-walled carbon nanotubes (MCNTs) and 500 mg of melamine were added into 120 mL of a mixture solvent of ethanol and water with a volume ratio of 1:1 for sonicating 1 hour. 25 mg NiPc and 50 mg CoPc were added into 30 mL of ethanol for sonicating 0.5 hour. 140 \u03bcL of the MCNTs-melamine solution was added to the CoPc-NiPc solution under sonication. The mixed solution was stirred for 24 hours at room temperature, and then centrifuged to obtain the product. The final product was dried in a vacuum oven at 60 \u00b0C for 4 hours.\nSAC synthesis: The dried powder was heated up to 900 \u00b0C in Ar within 30 minutes and maintained at this temperature for 2 hours. After cooling down to room temperature, the black powder was soaked in 2 M HCl solution at 80 \u00b0C for 12 hours to remove inactive and unstable species. The final product was collected by centrifugation and dried in a vacuum oven at 60 \u00b0C overnight.", + "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: 200 mg of multi-walled carbon nanotubes (MCNTs) and 500 mg of melamine were added into 120 mL of a mixture solvent of ethanol and water with a volume ratio of 1:1 for sonicating 1 hour. 25 mg NiPc was added into 3 mL of ethanol for sonicating 0.5 hour. 140 \u03bcL of the NiPc solution was added dropwise in the MCNTs-melamine solution with stirring. After stirring the solution for 24 hours, the precipitates were cleaned by ethanol, dried at 333 K, and annealed at 1273 K in Ar for 1 hour. Finally, the sample was immersed in 0.5 M H2SO4 at 353 K for 12 hours to remove metallic Ni particles, cleaned by ethanol, and dried in vacuum.\nSAC synthesis: The dried and annealed sample was used as the N4Ni1O1/Ni-NCNTs catalyst.", + "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: 2-Dimethylimidazole (5.65 g) and LUDOX\u00aeAS-40 colloidal silica (1 mL) are added in deionized water (80 mL) with magnetic rabbling for 1 h at room temperature. Zn(NO3)2\u00b76H2O (0.362 g), cetyltrimethyl ammonium bromide (CTAB) (0.5 mmol), and phenanthroline (0.075 g) are dissolved in deionized water (20 mL) and then added to the 2-Dimethylimidazole solution. The mixed solution is transferred into a Teflon-lined stainless steel autoclave and heated at 140 \u00b0C for 8 h. The precipitate is separated by centrifugation, washed with ethanol, and dried at 60 \u00b0C overnight. The dried powder is then calcined at 900 \u00b0C for 2 h under an argon atmosphere. The resulting product is etched in 5% HF solution to remove the silica template, followed by drying at 60 \u00b0C overnight. The dried powder is finally calcined in 5% O2 in argon at 900 \u00b0C for 2 h. The resulting powder is referred to as NC(MP). Then, N-doped porous carbon is prepared using a one-step pyrolysis technique of 2-Dimethylimidazole and phenanthroline. The mixture of 2-Dimethylimidazole (5.65 g) and phenanthroline (0.075 g) is dissolved in deionized water (80 mL) with rabbling for 1 h at room temperature. Then, Zn(NO3)2\u00b76H2O (0.362 g) and CTAB (0.5 mmol) are dissolved in deionized water (20 mL) and added to the above mixture. After mixing well, the solution is transferred into a Teflon-lined stainless steel autoclave and heated at 140 \u00b0C for 8 h. The precipitate is separated by centrifugation, washed with ethanol, and dried at 60 \u00b0C overnight. The dried powder is finally calcined at 900 \u00b0C for 2 h under an argon atmosphere. The resulting powder is referred to as NC(P). SAC synthesis: To obtain the Fe-NC(P) sample, first, 10 mg of NC(P) powder is dispersed in 10 mL of methanol with sonication for 2 h. Then, 10 mg of FeCl2 is added to the above solution and sonicated for 2 h. The mixture is stirred at room temperature until the methanol is evaporated. Then, the resulting solid is ground well and heated to 900 \u00b0C in a tube furnace under an argon atmosphere. After calcining for 2 h, the final product Fe-NC(P) is obtained.", + "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: Graphene Oxide (GO) was synthesized by the oxidation of natural graphite flakes (NGF) with a modified Hummers method.\nSAC synthesis: The NGF-derived graphene was dispersed in Milli-Q water, and the GO was then sonicated for 30 min to obtain a homogeneous suspension at room temperature. The GO was freeze-dried before being used as a substrate material. The dried graphene was placed in a tube furnace system under an Ar flow. To obtain the reduced graphene oxide (RGO), the temperature was kept at 1050 \u00b0C for 2 h. After cooling down naturally, the sample was stored in a glove box. To prepare the N-doped graphene (NGO), the RGO was mixed with urea (2 wt%) and ammonium hydroxide solution (NH4OH, 98%). The mixture was heated at 90 \u00b0C for 6 h, then cooled down to room temperature. The prepared NGO was washed using Milli-Q water and ethanol three times each. Finally, the sample was dried at 60 \u00b0C in a vacuum oven.", + "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": "Precursor synthesis: A mixture of FeCl2 (198.8 mg, 1.05 mmol) and polyvinylpyrrolidone (600 mg) was dissolved in ethanol (40 mL). To this solution, a solution of benzoic acid (1.05 mmol, 100 mg) was added under vigorous stirring. The resulting mixture was refluxed for 24 h in an oil bath at 90 \u00b0C. The resulting yellow solid was filtered and dried in air. Yield: 80% (based on FeCl2).\nSAC synthesis: A mixture of Fe-PVP (200 mg), benzoic acid (100 mg), and CTAB (35 mg) was dissolved in ultrapure water (27 mL). Then, a solution of TBA6[Fe(CO)6] \u00b7 H2O (200 mg, 0.18 mmol) was added to the above solution under vigorous stirring. After being stirred for 2 h at room temperature, the solution was transferred into a Teflon-lined autoclave and heated at 180 \u00b0C for 12 h. After cooling down to room temperature, the solution was centrifuged. The obtained precipitate was washed with ultrapure water three times and dried in vacuo. Yield: 80% (based on Fe-PVP).", + "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": "Precursor synthesis: A mixture of FeCl2 (198.8 mg, 1.05 mmol) and polyvinylpyrrolidone (600 mg) was dissolved in ethanol (40 mL). To this solution, a solution of benzoic acid (1.05 mmol, 100 mg) was added under vigorous stirring. The resulting mixture was refluxed for 24 h in an oil bath at 90 \u00b0C. The resulting yellow solid was filtered and dried in air. Yield: 80% (based on FeCl2).\nSAC synthesis: A mixture of Fe-PVP (200 mg), benzoic acid (100 mg), and CTAB (35 mg) was dissolved in ultrapure water (27 mL). Then, a solution of TBA6[Fe(CO)6] \u00b7 H2O (200 mg, 0.18 mmol) was added to the above solution under vigorous stirring. After being stirred for 2 h at room temperature, the solution was transferred into a Teflon-lined autoclave and heated at 180 \u00b0C for 12 h. After cooling down to room temperature, the solution was centrifuged. The obtained precipitate was washed with ultrapure water three times and dried in vacuo. Yield: 80% (based on Fe-PVP).", + "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: The carbon support was prepared by adding carbon black (500 mg, Ketjen Black ECP60JD) to 8 M nitric acid solution (10 mL) and sonicating for 30 min. After that, the uniform dispersion was transferred to a Teflon-lined stainless-steel autoclave (25 mL) and kept at 120 \u2103 for 2 h. When the reaction system was cooled down, the mixture was poured into ice water (50 mL). The precipitate was collected by centrifugation and washed with deionized water several times until the supernatant became neutral. Then, the obtained powder was dried in an oven at 60 \u2103 overnight.\nSAC synthesis: Pt ALD was carried out on a viscous flow reactor (GEMSTAR-6 Benchtop ALD, Arradiance) by alternatively exposing to MeCpPtMe3 precursor and O2 (99.999%) carrier gas. Ultrahigh purity N2 (99.999%) was used as the purging gas. The Pt precursor was heated to 65 \u00b0C to get a sufficient vapor pressure. The reactor inlets were held at 110 \u00b0C to avoid any condensation. The timing sequence of one cycle Pt ALD was 15s and 30s for the MeCpPtMe3 exposure and N2 purge respectively. Subsequently, the Pt/C catalyst was synthesized by performing one cycle Pt ALD on the carbon support at 250 \u00b0C. The Pt loading was targeted to be 0.2% of Pt/C.", + "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: The synthesis of HPS was based on a previously reported method with some modifications. In a typical procedure, 2,4-dihydroxybenzoic acid and hexamethylenetetramine were dissolved in 60 ml deionized water. Supplementary Table 1 shows the required amounts of each reagent, which varies based on the intended sphere size. To this solution, 20 ml of another solution containing 30 mg Pluronic P123 and 76.5 mg sodium oleate was added under slow stirring. Afterwards, the mixed solution was transferred into a 100 ml Teflon-lined autoclave and heated to a temperature of 160 \u00b0C for 2 h in a heating oven. After cooling down to room temperature, the products were collected by centrifugation and washed three times with deionized water. Finally, the products were dried in a vacuum oven at 70 \u00b0C overnight.\nSAC synthesis: Firstly, 0.2 g HPS was dispersed in 10 ml of ethanol. To this solution, 5 mL of another ethanol solution containing 10 mg Fe(acac)2 was added under slow stirring and further stirred for 2 h. Afterward, the mixture was dried in a vacuum oven at 70 \u00b0C overnight. Then, the products were calcined in a tube furnace at 900 \u00b0C for 2 h under a nitrogen atmosphere. After cooling down to room temperature, the final products were collected.", + "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: The synthesis of HPS was based on a previously reported method with some modifications. In a typical procedure, 2,4-dihydroxybenzoic acid and hexamethylenetetramine were dissolved in 60 ml deionized water. Supplementary Table 1 shows the required amounts of each reagent, which varies based on the intended sphere size. To this solution, 20 ml of another solution containing 30 mg Pluronic P123 and 76.5 mg sodium oleate was added under slow stirring. Afterwards, the mixed solution was transferred into a 100 ml Teflon-lined autoclave and heated to a temperature of 160 \u00b0C for 2 h in a heating oven. After cooling down to room temperature, the products were collected by centrifugation and washed three times with deionized water. Finally, the products were dried in a vacuum oven at 70 \u00b0C overnight.\nSAC synthesis: Firstly, 0.2 g HPS was dispersed in 10 ml of ethanol. To this solution, 5 mL of another ethanol solution containing 10 mg Ni(acac)2 was added under slow stirring and further stirred for 2 h. Afterward, the mixture was dried in a vacuum oven at 70 \u00b0C overnight. Then, the resulting powder was calcined in a tube furnace at 900 \u00b0C for 2 h under a nitrogen atmosphere. After cooling down to room temperature, the final product (Ni/HNC@Ni) was obtained.", + "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: The silica template with diameters of about 220 nm was prepared by the St\u00f6ber method. 5 mL of tetraethylorthosilicate was dropped into 40 mL of ethanol under stirring for 2 h at room temperature, and then the precipitates were collected by centrifugation and washed with ethanol for several times, finally dried at 70 \u00b0C overnight. The powder of the silica template was placed in a tube furnace and gradually heated to 600 \u00b0C for 1 h (heating rate: 5 \u00b0C min -1 ) under N2 (30 mL min -1 ) atmosphere before it was cooled down to room temperature.\n\nSAC synthesis: The powder of the silica template (1 g) was ultrasonically dispersed in 10 mL water for 30 min, then 25 mg Co(NO3)2\u00b76H2O was added with stirring for 12 h at room temperature. After that, the water was evaporated at 80 \u00b0C, and the obtained solid mixture was transferred to a tube furnace and heated to 900 \u00b0C for 1 h (heating rate: 5 \u00b0C min -1 ) under N2 (30 mL min -1 ) atmosphere. After being cooled down to room temperature, the resulting black powder was etched with 5% HF solution (Caution warning! HF is highly toxic and should be handled very carefully.) for 24 h, finally dried at 70 \u00b0C overnight. To remove the redundant metallic Co nanoparticles, the as-synthesized powder was left at room temperature in 1 M HCl solution (Caution warning! HCl is corrosive and should be handled very carefully.) for 8 h, then centrifuged and washed with deionized water for three times, finally dried at 70 \u00b0C overnight.", + "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: Fresh bamboo shoots were cut into slices, dried, and ground into a powder. 4 g of the dried bamboo shoots were added to 40 mL of deionized water in a 100 mL Teflon-inner stainless-steel autoclave, sealed, and heated at 180 \u00b0C for 5.5 h. The resulting solids were obtained by filtration, washed thoroughly with distilled water, and dried by vacuum freeze-drying. The as-synthesized biochars were placed in a tube furnace and pyrolyzed at 800 \u00b0C for 2 h under a flow of N2 to obtain NC-800.\nSAC synthesis: The as-synthesized Fe-NC-SA catalyst was etched in 5 M H2SO4 solution to remove unstable species for 24 h at 60 \u00b0C. The resulting product (Fe-SA) was filtered, washed with deionized water until neutral, and dried at 60 \u00b0C.", + "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: Fresh bamboo shoots were cut into slices, dried, and ground into a powder. 4 g of the dried bamboo shoots were added to 40 mL of deionized water in a 100 mL Teflon-inner stainless-steel autoclave, sealed, and heated at 180 \u00b0C for 5.5 h. The resulting solids were obtained by filtration, washed thoroughly with distilled water, and dried by vacuum freeze-drying. The as-synthesized biochars were placed in a tube furnace and pyrolyzed at 800 \u00b0C for 2 h under a flow of N2 to obtain NC-800.\nSAC synthesis: The as-synthesized Fe-NC-SA catalyst was etched in 5 M H2SO4 solution to remove unstable species for 24 h at 60 \u00b0C. The resulting product (Fe-SA) was filtered, washed with deionized water until neutral, and dried at 60 \u00b0C.", + "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: First, 0.1 g of melamine and 0.1 g of carbon black were thoroughly mixed through grinding and placed in the tube furnace. Subsequently, the mixture was heated at 800 \u00b0C for 2 h under N2 atmosphere with a heating rate of 5 \u00b0C\u00b7min-1 to afford C@C3N4.\nSAC synthesis: Then, 0.1 g of C@C3N4 was ultrasonically dispersed into 30 mL of deionized water. Afterward, 26 \u03bcL of Na2PdCl4 (1 mg\u00b7mL-1) was added to the above solution and stirred for 12 h at room temperature. Finally, the product was dried at 60 \u00b0C for 5 h. The final product was denoted as Pd1/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: The carbon support was prepared by adding carbon black (500 mg, Ketjen Black ECP60JD) to 8 M nitric acid solution (10 mL) and sonicating for 30 min. After that, the uniform dispersion was transferred to a Teflon-lined stainless-steel autoclave (25 mL) and kept at 120 \u2103 for 2 h. When the reaction system was cooled down, the mixture was poured into ice water (50 mL). The precipitate was collected by centrifugation and washed with deionized water several times until the supernatant became neutral. Then, the obtained powder was dried in an oven at 60 \u2103 overnight.\nSAC synthesis: Pt ALD was carried out on a viscous flow reactor (GEMSTAR-6 Benchtop ALD, Arradiance) by alternatively exposing to MeCpPtMe3 precursor and O2 (99.999%) carrier gas. Ultrahigh purity N2 (99.999%) was used as the purging gas. The Pt precursor was heated to 65 \u00b0C to get a sufficient vapor pressure. The reactor inlets were held at 110 \u00b0C to avoid any condensation. The timing sequence of one cycle Pt ALD was 15s and 30s for the MeCpPtMe3 exposure and N2 purge respectively. Subsequently, the Pt/C catalyst was synthesized by performing one cycle Pt ALD on the carbon support at 250 \u00b0C. The Pt loading was targeted to be 0.2% of Pt/C.", + "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: To a Schlenk flask containing trimethylsilylacetylene (40 mmol) and dry tetrahydrofuran (30 mL) at -78 \u00baC was added n-butyllithium (1.6 M, 40 mmol) and stirred for 60 minutes. Then, a solution of zinc chloride in THF was added to the reaction mixture. After stirring for 1 hour at -78 \u00baC, the reaction temperature was gradually increased to room temperature, whereupon the volatiles were removed by evacuation. The residue was extracted using ethyl acetate and passed through a silica gel plug. Then, the solvent was removed, obtaining crude white solids. The resulting solids were purified by column chromatography on silica gel with hexane to hexane/ethyl acetate (20:1-10:1) to obtain the crude white solid 2 as a mixture of isomers. The mixture was then recrystallized via layering of the crude white solid 2 with hexane at -20 \u00baC until the formation of white crystals. Then, the solid was dried under vacuum to obtain the product 3 as a white solid. To a solution of compound 3 (5 mmol) in THF was added dropwise n-BuLi (2.5 M, 2.0 mL, 5 mmol) at -78 \u00baC. Then, a solution of zinc chloride in THF was added to the reaction mixture. After stirring for 1 hour at -78 \u00baC, the reaction temperature was gradually increased to room temperature, whereupon the volatiles were removed by evacuation. The residue was extracted using ethyl acetate and passed through a silica gel plug. Then, the solvent was removed, obtaining crude white solids. The resulting solids were purified by column chromatography on silica gel with hexane to hexane/ethyl acetate (20:1-10:1) to obtain the crude white solid 4 as a mixture of isomers. The mixture was then recrystallized via layering of the crude white solid 4 with hexane at -20 \u00baC until the formation of white crystals. Then, the solid was dried under vacuum to obtain the product 5 as a white solid. To a solution of compound 5 (2.5 mmol) in THF was added dropwise n-BuLi (2.5 M, 1.0 mL, 2.5 mmol) at -78 \u00baC. Then, a solution of zinc chloride in THF was added to the reaction mixture. After stirring for 1 hour at -78 \u00baC, the reaction temperature was gradually increased to room temperature, whereupon the volatiles were removed by evacuation. The residue was extracted using ethyl acetate and passed through a silica gel plug. Then, the solvent was removed, obtaining crude white solids. The resulting solids were purified by column chromatography on silica gel with hexane to hexane/ethyl acetate (20:1-10:1) to obtain the crude white solid 6 as a mixture of isomers. The mixture was then recrystallized via layering of the crude white solid 6 with hexane at -20 \u00baC until the formation of white crystals. Then, the solid was dried under vacuum to obtain the product 7 as a white solid. To a solution of compound 7 (0.9 mmol) in THF was added dropwise n-BuLi (1.8 M, 1.5 mL, 2.7 mmol) at -78 \u00baC. Then, a solution of zinc chloride in THF was added to the reaction mixture. After stirring for 1 hour at -78 \u00baC, the reaction temperature was gradually increased to room temperature, whereupon the volatiles were removed by evacuation. The residue was extracted using ethyl acetate and passed through a silica gel plug. Then, the solvent was removed, obtaining crude white solids. The resulting solids were purified by column chromatography on silica gel with hexane to hexane/ethyl acetate (20:1-10:1) to obtain the crude white solid 8 as a mixture of isomers. The mixture was then recrystallized via layering of the crude white solid 8 with hexane at -20 \u00baC until the formation of white crystals. Then, the solid was dried under vacuum to obtain the product 9 as a white solid. To a solution of compound 9 (0.7 mmol) in THF was added dropwise n-BuLi (1.8 M, 1.1 mL, 1.9 mmol) at -78 \u00baC. Then, a solution of zinc chloride in THF was added to the reaction mixture. After stirring for 1 hour at -78 \u00baC, the reaction temperature was gradually increased to room temperature, whereupon the volatiles were removed by evacuation. The residue was extracted using ethyl acetate and passed through a silica gel plug. Then, the solvent was removed, obtaining crude white solids. The resulting solids were purified by column chromatography on silica gel with hexane to hexane/ethyl acetate (20:1-10:1) to obtain the crude white solid 10 as a mixture of isomers. The mixture was then recrystallized via layering of the crude white solid 10 with hexane at -20 \u00baC until the formation of white crystals. Then, the solid was dried under vacuum to obtain the product 11 as a white solid. To a solution of compound 11 (0.5 mmol) in THF was added dropwise n-BuLi (1.8 M, 0.8 mL, 1.5 mmol) at -78 \u00baC. Then, a solution of zinc chloride in THF was added to the reaction mixture. After stirring for 1 hour at -78 \u00baC, the reaction temperature was gradually increased to room temperature, whereupon the volatiles were removed by evacuation. The residue was extracted using ethyl acetate and passed through a silica gel plug. Then, the solvent was removed, obtaining crude white solids. The resulting solids were purified by column chromatography on silica gel with hexane to hexane/ethyl acetate (20:1-10:1) to obtain the crude white solid 12 as a mixture of isomers. The mixture was then recrystallized via layering of the crude white solid 12 with hexane at -20 \u00baC until the formation of white crystals. Then, the solid was dried under vacuum to obtain the product 13 as a white solid. To a solution of compound 13 (0.3 mmol) in THF was added dropwise n-BuLi (1.8 M, 0.6 mL, 1.1 mmol) at -78 \u00baC. Then, a solution of zinc chloride in THF was added to the reaction mixture. After stirring for 1 hour at -78 \u00baC, the reaction temperature was gradually increased to room temperature, whereupon the volatiles were removed by evacuation. The residue was extracted using ethyl acetate and passed through a silica gel plug. Then, the solvent was removed, obtaining crude white solids. The resulting solids were purified by column chromatography on silica gel with hexane to hexane/ethyl acetate (20:1-10:1) to obtain the crude white solid 14 as a mixture of isomers. The mixture was then recrystallized via layering of the crude white solid 14 with hexane at -20 \u00baC until the formation of white crystals. Then, the solid was dried under vacuum to obtain the product 15 as a white solid. To a solution of compound 15 (0.2 mmol) in THF was added dropwise n-BuLi (1.8 M, 0.3 mL, 0.5 mmol) at -78 \u00baC. Then, a solution of zinc chloride in THF was added to the reaction mixture. After stirring for 1 hour at -78 \u00baC, the reaction temperature was gradually increased to room temperature, whereupon the volatiles were removed by evacuation. The residue was extracted using ethyl acetate and passed through a silica gel plug. Then, the solvent was removed, obtaining crude white solids. The resulting solids were purified by column chromatography on silica gel with hexane", + "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: To a Schlenk flask containing trimethylsilylacetylene (40 mmol) and dry tetrahydrofuran (30 mL) at -78 \u00baC was added n-butyllithium (1.6 M, 40 mmol) and stirred for 60 minutes. Then, a solution of zinc chloride in THF was added to the reaction mixture. After stirring for 1 hour at -78 \u00baC, the reaction temperature was gradually increased to room temperature, whereupon the volatiles were removed by evacuation. The residue was extracted using ethyl acetate and passed through a silica gel plug. Then, the solvent was removed, obtaining crude white solids. The resulting solids were purified by column chromatography on silica gel with hexane to hexane/ethyl acetate (20:1-10:1) to obtain the crude white solid 2 as a mixture of isomers. The mixture was then recrystallized via layering of the crude white solid 2 with hexane at -20 \u00baC until the formation of white crystals. Then, the solid was dried under vacuum to obtain the product 3 as a white solid. To a solution of compound 3 (5 mmol) in THF was added dropwise n-BuLi (2.5 M, 2.0 mL, 5 mmol) at -78 \u00baC. Then, a solution of zinc chloride in THF was added to the reaction mixture. After stirring for 1 hour at -78 \u00baC, the reaction temperature was gradually increased to room temperature, whereupon the volatiles were removed by evacuation. The residue was extracted using ethyl acetate and passed through a silica gel plug. Then, the solvent was removed, obtaining crude white solids. The resulting solids were purified by column chromatography on silica gel with hexane to hexane/ethyl acetate (20:1-10:1) to obtain the crude white solid 4 as a mixture of isomers. The mixture was then recrystallized via layering of the crude white solid 4 with hexane at -20 \u00baC until the formation of white crystals. Then, the solid was dried under vacuum to obtain the product 5 as a white solid. To a solution of compound 5 (2.5 mmol) in THF was added dropwise n-BuLi (2.5 M, 1.0 mL, 2.5 mmol) at -78 \u00baC. Then, a solution of zinc chloride in THF was added to the reaction mixture. After stirring for 1 hour at -78 \u00baC, the reaction temperature was gradually increased to room temperature, whereupon the volatiles were removed by evacuation. The residue was extracted using ethyl acetate and passed through a silica gel plug. Then, the solvent was removed, obtaining crude white solids. The resulting solids were purified by column chromatography on silica gel with hexane to hexane/ethyl acetate (20:1-10:1) to obtain the crude white solid 6 as a mixture of isomers. The mixture was then recrystallized via layering of the crude white solid 6 with hexane at -20 \u00baC until the formation of white crystals. Then, the solid was dried under vacuum to obtain the product 7 as a white solid. To a solution of compound 7 (0.9 mmol) in THF was added dropwise n-BuLi (1.8 M, 1.5 mL, 2.7 mmol) at -78 \u00baC. Then, a solution of zinc chloride in THF was added to the reaction mixture. After stirring for 1 hour at -78 \u00baC, the reaction temperature was gradually increased to room temperature, whereupon the volatiles were removed by evacuation. The residue was extracted using ethyl acetate and passed through a silica gel plug. Then, the solvent was removed, obtaining crude white solids. The resulting solids were purified by column chromatography on silica gel with hexane to hexane/ethyl acetate (20:1-10:1) to obtain the crude white solid 8 as a mixture of isomers. The mixture was then recrystallized via layering of the crude white solid 8 with hexane at -20 \u00baC until the formation of white crystals. Then, the solid was dried under vacuum to obtain the product 9 as a white solid. To a solution of compound 9 (0.7 mmol) in THF was added dropwise n-BuLi (1.8 M, 1.1 mL, 1.9 mmol) at -78 \u00baC. Then, a solution of zinc chloride in THF was added to the reaction mixture. After stirring for 1 hour at -78 \u00baC, the reaction temperature was gradually increased to room temperature, whereupon the volatiles were removed by evacuation. The residue was extracted using ethyl acetate and passed through a silica gel plug. Then, the solvent was removed, obtaining crude white solids. The resulting solids were purified by column chromatography on silica gel with hexane to hexane/ethyl acetate (20:1-10:1) to obtain the crude white solid 10 as a mixture of isomers. The mixture was then recrystallized via layering of the crude white solid 10 with hexane at -20 \u00baC until the formation of white crystals. Then, the solid was dried under vacuum to obtain the product 11 as a white solid. To a solution of compound 11 (0.5 mmol) in THF was added dropwise n-BuLi (1.8 M, 0.8 mL, 1.5 mmol) at -78 \u00baC. Then, a solution of zinc chloride in THF was added to the reaction mixture. After stirring for 1 hour at -78 \u00baC, the reaction temperature was gradually increased to room temperature, whereupon the volatiles were removed by evacuation. The residue was extracted using ethyl acetate and passed through a silica gel plug. Then, the solvent was removed, obtaining crude white solids. The resulting solids were purified by column chromatography on silica gel with hexane to hexane/ethyl acetate (20:1-10:1) to obtain the crude white solid 12 as a mixture of isomers. The mixture was then recrystallized via layering of the crude white solid 12 with hexane at -20 \u00baC until the formation of white crystals. Then, the solid was dried under vacuum to obtain the product 13 as a white solid. To a solution of compound 13 (0.3 mmol) in THF was added dropwise n-BuLi (1.8 M, 0.6 mL, 1.1 mmol) at -78 \u00baC. Then, a solution of zinc chloride in THF was added to the reaction mixture. After stirring for 1 hour at -78 \u00baC, the reaction temperature was gradually increased to room temperature, whereupon the volatiles were removed by evacuation. The residue was extracted using ethyl acetate and passed through a silica gel plug. Then, the solvent was removed, obtaining crude white solids. The resulting solids were purified by column chromatography on silica gel with hexane to hexane/ethyl acetate (20:1-10:1) to obtain the crude white solid 14 as a mixture of isomers. The mixture was then recrystallized via layering of the crude white solid 14 with hexane at -20 \u00baC until the formation of white crystals. Then, the solid was dried under vacuum to obtain the product 15 as a white solid. To a solution of compound 15 (0.2 mmol) in THF was added dropwise n-BuLi (1.8 M, 0.3 mL, 0.5 mmol) at -78 \u00baC. Then, a solution of zinc chloride in THF was added to the reaction mixture. After stirring for 1 hour at -78 \u00baC, the reaction temperature was gradually increased to room temperature, whereupon the volatiles were removed by evacuation. The residue was extracted using ethyl acetate and passed through a silica gel plug. Then, the solvent was removed, obtaining crude white solids. The resulting solids were purified by column chromatography on silica gel with hexane", + "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: 1.2 g of chitosan was first dispersed in 100 mL deionized water. After vigorous stirring for half an hour, 0.5 g FeCl3 was added to the mixed solution and stirring was continued for one hour. Subsequently, 0.5 g NiCl2 was dispersed in a centrifuge tube containing 10 mL deionized water, and was added dropwise to the above mixed solution after ultrasonication for ten minutes. The above solution was vigorously stirred six hours under magnetic stirring, and the centrifuged product was collected by centrifugation at 8000 rpm for ten minutes, completely dried at 60 \u00b0C and ground to a powder.\nSAC synthesis: Finally, powder sample was transferred into a quartz tube, which was then heated to 900 \u00b0C kept for 4 hours with a heating rate of 5 \u00b0C min -1 in high purity nitrogen atmosphere. The final product was designated as Ni/0.5Fe-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 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: 20.0 g of PEO-50000, 0.30 g of iron(III) nitrate nonahydrate, and 0.50 g of melamine were dissolved in 180 mL of ethanol with stirring for 12 h at room temperature. The mixture was then dried using a rotary evaporator.\nSAC synthesis: The obtained powder was heated to 900 \u00b0C with a ramping rate of 5 \u00b0C/min under Ar atmosphere and maintained at this temperature for 2 h. After cooling down to room temperature, the product was collected by vacuum filtration and dried in an oven at 60 \u00b0C for 24 h.", + "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: Medium temperature coal tar pitch (C 92.2 wt%, H 4.6 wt%, N 1.1 wt%, O 2.1 wt% (by difference)) was supplied by Maanshan Iron & Steel Co., Ltd. Nickel (II) Chloride Hexahydrate (NiCl2\u00b76H2O), urea, sodium chloride (NaCl), ethanol absolute, nitric acid, Nafion solution (5.0 wt%), Nafion\u00ae 117 membranes, and deionized water were obtained from Sinopharm Chemical Reagent Co., Ltd., Sigma-Aldrich, and Hefei Jingchun Water Sales Co., Ltd., respectively.\nSAC synthesis: Ni/Ni-N-C-800 sample was prepared by the same synthesis route as that for NiO/Ni-N-C-800, except without nitric acid leaching and oxidation.", + "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: 1.0 g of FeCl3 \u00b7 6H2O and 0.1 g of NiCl2 \u00b7 6H2O were added to a large centrifuge tube filled with 2 mL of deionized water (denoted as solution A), and 0.1 g of dopamine hydrochloride was added to a small centrifuge tube filled with 1 mL of deionized water (denoted as solution B). Solution B was slowly dropped into solution A with magnetic stirring for 12 h. The resulting solution was rapidly frozen with liquid nitrogen and followed by freeze-drying to remove water.\nSAC synthesis: The prepared metal-organic complexes were transferred to a porcelain ark and placed in a tubular furnace. They were heated to 800 \u00b0C at 5 \u00b0C/min in a nitrogen atmosphere for 2 h and then cooled to room temperature. The carbonized products were placed in 2 M hydrochloric acid solution, which was stirred for 4 h and then filtered. The obtained precipitates were placed in a vacuum oven at 60 \u00b0C overnight. After cooling to room temperature, the Ni/Fe-N-C product was obtained.", + "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: 0.329 mg (0.75 mmol) of LH\u2082 was suspended in 5 mL of degassed ethanol under an argon atmosphere. 0.544 g (8 mmol) of sodium ethoxide was added, and the reaction was maintained with magnetic stirring under reflux conditions until the disappearance of the initial reagent, as determined by thin-layer chromatography analysis, typically for 24 h. After cooling down, the reaction mixture was neutralized with 1 M HCl, and a white precipitate appeared, which was filtered, washed once with 10 mL of 2 M NaOH, and then thoroughly with water. Drying under vacuum yielded the esterified product (hereafter called E-LH\u2082) in quantitative yields.\nSAC synthesis: The as-synthesized material, E-LH\u2082 (50 mg), was washed five times with dry acetonitrile. Then, it was dried overnight in vacuo at 120 \u00b0C. Then, it was mixed with one equivalent of [Fe(OAc)\u2082] (25 mg). The resulting mixture was treated with ultrasonic irradiation in a vessel containing a mixture of CH\u2083CN (2 mL) and water (2 mL) for 6 h. Then, the vessel was irradiated with a Xenon lamp until the color changed to deep red. Then, the vessel was centrifuged, and the top suspension was decanted and washed three times with dry acetonitrile. Finally, the obtained powder was dried in vacuo at 100 \u00b0C.", + "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: The procedures to synthesize the control catalysts were similar to those described for Fe SAC-MOF-5. MgCo-MOF-74 was selected as the carbon support to prepare Co SAC-MgCo-MOF-74.\nSAC synthesis: 60 mg of MgCo-MOF-74 was dispersed in 3 mL deionized water under ultrasonication for 10 min. 0.1 mL of dried glycolic acid (10 mg/mL) was added to the dispersion. After ultrasonication for 5 min, 0.8 mL of dried acetic acid (10 mg/mL) was added to the dispersion. After evaporating the liquids, the resulting solid was pyrolyzed at 900 \u00b0C for 2 h under a nitrogen atmosphere. The sample was then treated with ammonia at 900 \u00b0C for 2 h. After cooling to room temperature, the product was labeled as Co SAC-MgCo-MOF-74.", + "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 procedures to synthesize the control catalysts were similar to those described for Fe SAC-MOF-5. MgNi-MOF-74 was selected as the carbon support to prepare Ni SAC-MgNi-MOF-74.\nSAC synthesis: 60 mg of MgNi-MOF-74 was dispersed in 3 mL deionized water under ultrasonication for 10 min. 0.1 mL of the Ni complex solution (2.4 mg Ni) was added to the carbon dispersion. The mixture was ultrasonicated for 1 h and stirred for 2 h. Different amounts (0.05 mL and 0.15 mL) of the Ni complex solution were added to explore the optimal amount of Ni single atoms, while the subsequent procedures remained unchanged. The resultant powder was lyophilized, ground in a mortar, and pyrolyzed at 800 \u00b0C under a nitrogen atmosphere for 1 h. The sample was then treated with ammonia at 800 \u00b0C for 15 min. The ammonia was switched back to nitrogen, and the furnace was cooled to room temperature naturally. The final product was labeled as x-Ni SAC-MgNi-MOF-74, where x is the weight percentage of Ni to carbon in the precursors.", + "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: The Pt NPs/BP was prepared by the wetness impregnation method. Firstly, 100 mg of BP was added to a mixed solution (30 ml) of DI water and ethanol (v /v = 2:1) and then 66 \u03bcl of H2PtCl6\u00b76H2O solution (Pt: 37.5 mmol/L) was added. Then, the mixture was stirred for 30 min, dried at 80 \u2103 and calcined in air at 400 \u2103 for 4h.\nSAC synthesis: The as-prepared Pt NPs/BP was firstly calcined in Ar atmosphere at 400 \u2103 for 4h, and then reduced in 10 % H2 in Ar atmosphere at 200 \u2103 for another 0.5 h to obtain Pt SAs/BP.", + "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: 1.0 g of chitosan was dispersed in 100 ml of deionized water and continued stirring for 60 min.\nSAC synthesis: Then, 0.15 mmol of CuCl2 was added. The above dispersing solution was stirred for 3h. Subsequently, the obtained mixture solution was completely dried at 60 \u00b0C and ground to a powder. Pyrolysis carbonization of powder at 750 \u00b0C for 4h with a ramp of 5 \u00b0C/min under high purity argon atmosphere. The final product was named as Cu-SA@NC.", + "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: RGO is synthesized by hydrolysis of GO, which is obtained from natural graphite flakes. In detail, 0.6 g of the natural graphite was added into a mixture of concentrated H2SO4 (98 wt%) and HNO3 (70 wt%) with a volume ratio of 3:1 under stirring. Afterwards, 6 g of KMnO4 was slowly added to the mixture in an ice-water bath. The mixture was stirred at room temperature for 1 h, and then transferred into a 35 \u00b0C oil bath and kept stirring for 24 h. After being cooled down to room temperature, the mixture was poured onto ice-water and filtered through a polycarbonate membrane filter (0.22 \u03bcm). Then, the produced GO was dispersed into water (100 mL) by sonication for 30 min, followed by centrifugation at 10 000 rpm for 3 min. Finally, the dispersion was washed by deionized water until the pH of the supernatant became neutral.\nSAC synthesis: Co-N/TiN-rGO was prepared by a similar procedure as that used for Fe-Co-N/TiN-rGO except that the content of the corresponding metal salt was decreased by half. In addition, the mixture of ethanol and water solution was used instead of aqueous solution, so that the salts could be removed after centrifugation.", + "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: RGO is synthesized by hydrolysis of GO, which is obtained from natural graphite flakes. The hydrolysis process was carried out by adding the GO aqueous dispersion to a 10-fold excess of NH3\u00b7H2O (NH4OH) solution and stirring for 2 h at room temperature. After that, the resulting mixture was centrifuged and washed with water three times. Finally, the RGO product was dried in a vacuum oven at 60 \u00b0C.\nSAC synthesis: For comparison, the preparation of Fe SACs using RGO as support was also carried out. In detail, 25 mg of RGO was added into 30 mL of Fe(NO3)3\u00b79H2O aqueous dispersion and stirred for 8 h at room temperature. Then, the mixture was centrifuged and washed with ethanol twice and finally dried in a vacuum oven at 60 \u00b0C.", + "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: Nickel(II) nitrate hexahydrate, Urea, Graphene Oxide\nSAC synthesis: In a typical synthesis of Ni-SACs, 50 \u00b5l 0.1 M nickel(II) nitrate hexahydrate solution (Chem-Supply) and 2 ml 0.8 M urea solution (Sigma-Aldrich) were added into 20 mg graphene oxide aqueous solution (XFNano Material) with bath sonicating for 30 min. The resulting mixed solution was then frozen by liquid nitrogen and freeze-dried at -46 \u00b0C in vacuum for 24 h. Subsequently, the dried powder mixture was transferred into a round bottom glass flask with a gas adapter. After pumping into the adapter, the flask was sealed and maintained at -75 \u00b0C for 2 weeks. The flask was then transferred into a tube furnace and heated to room temperature under Ar flow. After cooling down to room temperature, the product was washed by hot water three times to remove slight cyanuric acid from urea polymerization and dried in vacuum overnight.", + "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: 20 mmol of 1-butyl-3-methylimidazolium chloride and 20 mmol of Al(NO3)3 \u00b7 9H2O were weighed and dissolved into 30 mL of deionized water. The solution was stirred using a magnetic stirrer for 20 minutes at room temperature. Then 60 mL of (NH4)2CO3 (1 mol/L) solution were dropped into the above solution slowly to form a condensed white slurry. Next, the slurry was transferred into a 100 mL stainless autoclave. The autoclave was sealed and placed into the oven at 120 \u2103 for 12 h. After the autoclave cooled down to room temperature, the sediment was washed with ethanol and deionized water three times, then the sediment was dried at 60 \u2103 for 10 h. Finally, amorphous mesoporous Al2O3 was obtained.\n\nSAC synthesis: The identical procedure was employed to prepare the Pt/C catalyst except that the as-prepared Al2O3 was used as the support. The Pt loadings of Pt/C and Pt/Al2O3 are both 2.0%.", + "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: 0.1 g of ZIF-8 is added to 10 mL of 0.01 M H2PtCl6 solution and stirred for 12 h at room temperature.\nSAC synthesis: The mixture is then dried at 80 \u00b0C for 12 h. The dried product is calcined at 900 \u00b0C for 2 h under an Ar atmosphere with a heating rate of 5 \u00b0C min\u22121.", + "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 mL of cetyltrimethylammonium bromide (CTAB) was dissolved in 70 mL of a mixed solvent of water and methanol (1:1 v/v). 5 mL of Co(CH3COO)2\u00b74H2O (0.3 M/L) aqueous solution was added to the above solution. After stirring for 30 min, a mixed solution containing 10 mL of 2-methylimidazole solution (1.2 M/L) and a certain amount of triethylamine (TEA) was added to the above solution and kept stirring for 4 h. The product was collected by centrifugation, washed with ethanol, and dried in a vacuum oven at 60 \u00b0C overnight.\nSAC synthesis: The mixture powder of ZnCo-ZIFs was placed in a tube furnace and then heated to 950 \u00b0C for 3 h at a rate of 5 \u00b0C/min under flowing Ar gas, followed by cooling to room temperature naturally. Then, the as-obtained sample was further diluted with HCl to remove metal particles.", + "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: 0.5 mL of cetyltrimethylammonium bromide (CTAB) was dissolved in 70 mL of a mixed solvent of water and methanol (1:1 v/v). 5 mL of Co(CH3COO)2\u00b74H2O (0.3 M/L) aqueous solution was added to the above solution. After stirring for 30 min, a mixed solution containing 10 mL of 2-methylimidazole solution (1.2 M/L) and a certain amount of triethylamine (TEA) was added to the above solution and kept stirring for 4 h. The product was collected by centrifugation, washed with ethanol, and dried in a vacuum oven at 60 \u00b0C overnight.\nSAC synthesis: The mixture powder of ZnCo-ZIFs was placed in a tube furnace and then heated to 950 \u00b0C for 3 h at a rate of 5 \u00b0C/min under flowing Ar gas, followed by cooling to room temperature naturally. Then, the as-obtained sample was further diluted with HCl to remove metal particles.", + "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 precursor to prepare these catalysts is Ru(NO)(NO\u2083)\u2083.\nSAC synthesis: The Ru catalysts were prepared by the incipient wetness technique using AC12 zeolite with the appropriate aqueous solution of Ru(NO)(NO\u2083)\u2083 to obtain samples with 2 wt% Ru. After drying at 120 \u2070C overnight, the catalysts were reduced under a flow of H\u2082 up to a final temperature of 450 \u2070C.", + "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: In a typical experiment, 0.2477 g of Ru(acac)3 and 0.5 g of carbon black were added into 10 mL of ethanol under continuous stirring for 5 h at 60 \u00b0C. The resulting mixture was then dried at 80 \u00b0C for 12 h. The dried powder was subsequently calcined in a tube furnace at 400 \u00b0C for 2 h under Ar atmosphere. After cooling down to room temperature, the product was collected and used for further characterization.\nSAC synthesis: A similar procedure as described for 0.1%Ru@CM was used for the preparation of 0.5%Ru@CM.", + "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: CN was prepared by calcinating 10 g of urea in a muffle furnace at 550 \u00b0C for 4 h (heating rate of 5 \u00b0C min^-1). After cooling down to room temperature, the yellow product was washed with double distilled water and ethanol, and dried at 60 \u00b0C under vacuum. 10 g of as-prepared CN was put into a Teflon-lined autoclave containing 20 mL of deionized water. The autoclave was heated at 180 \u00b0C for 16 h. The resulting turbid liquid was centrifuged, and washed three times with water and ethanol. Then, the obtained powder was dried at 60 \u00b0C overnight to obtain CN-H. CN-H was mixed with sodium hypophosphite in mass ratio of 1:1. The mixture was sealed in a Teflon-lined autoclave and heated at 200 \u00b0C for 8 h. The resulting black powder was centrifuged, and washed three times with water and ethanol. Then, the obtained powder was dried at 60 \u00b0C overnight to get CN-H@NaHP. CN-H@NaHP was mixed with melamine in mass ratio of 1:3. The mixture was sealed in a Teflon-lined autoclave and heated at 220 \u00b0C for 12 h. The resulting turbid liquid was centrifuged, and washed three times with water and ethanol. Then, the obtained powder was dried at 60 \u00b0C overnight to get CN-H@NaHP/melamine complex. SAC synthesis: The CN-H@NaHP/melamine complex was heated up to 900 \u00b0C in Ar at a rate of 5 \u00b0C min^-1 and maintained at this temperature for 2 h. The sample was cooled down to room temperature, and finally got the SA-CN@NaHP/melamine complex. The SA-CN@NaHP/melamine complex was mixed with iodobenzeene in volume ratio of 1:2. The mixture was treated with an ultrasound dispersion method for 20 minutes. The obtained slurry was transferred to a Teflon-lined autoclave and heated at 120 \u00b0C for 24 h. The resulting black powder was centrifuged, and washed three times with water and ethanol. Then, the obtained powder was dried at 60 \u00b0C overnight to get SA-CN@NaHP/melamine complex/iodobenzeene composite. The SA-CN@NaHP/melamine complex/iodobenzeene composite was heated up to 900 \u00b0C in Ar at a rate of 5 \u00b0C min^-1 and maintained at this temperature for 2 h. The sample was cooled down to room temperature, and finally got the SA-CN@NaHP/melamine complex/iodobenzeene composite/Ar. The SA-CN@NaHP/melamine complex/iodobenzeene composite/Ar was mixed with red phosphorus in volume ratio of 1:2. The mixture was treated with an ultrasound dispersion method for 20 minutes. The obtained slurry was transferred to a Teflon-lined autoclave and heated at 120 \u00b0C for 24 h. The resulting black powder was centrifuged, and washed three times with water and ethanol. Then, the obtained powder was dried at 60 \u00b0C overnight to get SA-CN@NaHP/melamine complex/red phosphorus.", + "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: 10 g of urea was put into a covered crucible and heated to 600 \u00b0C at a ramp rate of 5 \u00b0C/min in muffle furnace. It was maintained at this temperature for an additional 2 h. After being cooled down, the resultant powders (about 500 mg) were ultrasonicated with deionized water, collected by filtration, and finally dried under vacuum at 60 \u00b0C. An aqueous solution of g-C3N4 (approximately 3 mg mL^-1) was prepared. 10 mL of the g-C3N4 aqueous solution was mixed with 10 mL of methanol, and ultrasonicated for 30 min. 150 \u03bcL of dimethyl sulfoxide (DMSO, 98%) was added to the above mixture. Then, 16 mg of HoCl3\u00b76H2O was added dropwise to the mixture while stirring. The mixture was transferred into an oil bath and stirred at 70 \u00b0C for 16 h. The mixture was centrifuged to obtain a solid product, which was further centrifuged three times with methanol and then dried under vacuum at 60 \u00b0C. A powder of g-C3N4-Ho was obtained. 100 mg of the g-C3N4-Ho powder was placed in a covered quartz boat, which was subsequently transferred into a tube furnace preheated to 500 \u00b0C under Ar flow (100 sccm). It was maintained at this temperature for an additional 2 h. After being cooled down, a black powder was obtained. The sample was leached in 0.5 M H2SO4 at 80 \u00b0C for 5 h to remove unstable species from the sample. Then, the resulting powder was thoroughly washed with deionized water, collected by filtration, and finally dried under vacuum at 60 \u00b0C. A powder of Ho-CN was obtained. SAC synthesis: The Ho-CN was ground with urea at a mass ratio of 1:10. Then, the obtained powder was annealed at 500 \u00b0C under Ar flow (100 sccm) for 2 h. After being cooled down, a black powder was obtained.", + "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: Cerium nitrate hexahydrate was purchased from Sigma with purity of 99.999%.\nSAC synthesis: CN-NT was ground with cerium nitrate hexahydrate for 30 minutes to get the uniformly mixed powder. The powder was then placed in a tube furnace and heated to 450 \u2103 under Ar atmosphere with a heating rate of 5 \u2103/min and maintained at this temperature for 2 h. After cooling down, the resulting material was leached in 1 M HCl solution at room temperature for 8 h to remove any unstable species. Then, the sample was dried at 60 \u2103 in vacuum oven overnight. Finally, the sample was annealed at 750 \u2103 under Ar atmosphere with a heating rate of 5 \u2103/min and maintained at this temperature for 2 h.", + "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: 10 g of urea was put into a covered crucible and heated to 550 \u00b0C at a ramp rate of 5 \u00b0C/min in air. It was maintained at this temperature for an additional 2 h. After being cooled down, the resultant powders (about 500 mg) were grinded, collected, and soaked in HCl solution (2 M) with vigorous stirring overnight to remove metal impurities. Then, the mixture was filtered, washed thoroughly, and dried under vacuum at 60 \u00b0C. The obtained sample is designated as CN.\nSAC synthesis: Eu single atoms were coordinated on the nitrogen-doped carbon nanotubes (EuSA/CN-NT).", + "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: 10 g of urea was put into a covered crucible and heated to 600 \u00b0C at a ramp rate of 5 \u00b0C/min in muffle furnace. It was maintained at this temperature for an additional 2 h. After being cooled down, the resultant powders (about 500 mg) were ultrasonicated with deionized water, collected by filtration, and finally dried under vacuum at 60 \u00b0C. An aqueous solution of g-C3N4 (approximately 3 mg mL^-1) was prepared. 10 mL of the g-C3N4 aqueous solution was mixed with 10 mL of melamine aqueous solution (approximately 1.8 mg mL^-1). The mixture was stirred for 24 h at room temperature. The resulting powders were collected via centrifugation and drying under vacuum at 60 \u00b0C. Achieve CN-NT, hereafter referred to as CN, was obtained.\nSAC synthesis: 100 mg of CN was placed in a round-bottom flask with 15 mL of deionized water and dispersed through sonication. 150 \u03bcL of LaCl3\u00b76H2O aqueous solution (approximately 0.016 mg mL^-1) was added dropwise into the CN dispersion under vigorous stirring. After being stirred continuously for 4 h, the mixture was centrifuged. The obtained precipitates were washed three times with deionized water and collected via centrifugation. Finally, the product was dried under vacuum at 60 \u00b0C. Achieve La-CN SACs, hereafter referred to as La-CN, was obtained.", + "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: DyCl3 was used as the precursor for Dy.\nSAC synthesis: 0.5 g of CN and 0.172 g of DyCl3 were dispersed in 10 mL of ethanol under ultrasonication for 10 min, followed by stirring for 4 h at room temperature. The resulting mixture was dried at 60 \u00b0C for 12 h. The dried powder was then calcined at 900 \u00b0C for 2 h under an Ar atmosphere with a heating rate of 5 \u00b0C min-1. Finally, the calcined powder was reduced at 800 \u00b0C for 1 h under a 5% H2/Ar atmosphere to obtain Dy-CN-NT.", + "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: 10 g of urea was put into a covered crucible and heated to 600 \u00b0C at a ramp rate of 5 \u00b0C/min in muffle furnace. It was maintained at this temperature for an additional 2 h. After being cooled down, the resultant powders (about 500 mg) were ultrasonicated with deionized water, collected by filtration, and finally dried under vacuum at 60 \u00b0C. An aqueous solution of g-C3N4 (approximately 3 mg mL^-1) was prepared. 100 mL of the g-C3N4 solution was mixed with 100 mL of deionized water, and magnetically stirred for 8 h. The mixture was centrifuged, and the obtained precipitates were washed three times with deionized water and ethanol. Then, the precipitates were dried at 70 \u00b0C overnight. A carbonized material (denoted as CN) was obtained after calcination at 550 \u00b0C for 2 h under Ar atmosphere. The CN was mixed with sodium hypophosphite in mass ratio of 1:1, followed by calcination at 550 \u00b0C for 2 h under Ar again. The obtained sample is denoted as PCN.\nSAC synthesis: 100 mg of PCN was dispersed in 20 mL of methanol. 25 mg of Nd(acac)3 was dissolved in 20 mL of methanol. Then, the Nd(acac)3 solution was added dropwise to the PCN dispersion. The mixture was magnetically stirred at room temperature for 12 h. The product was collected by centrifugation and dry under vacuum at 60 \u00b0C.", + "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: 10 g of urea was put into a covered crucible and heated to 600 \u00b0C at a ramp rate of 5 \u00b0C/min in muffle furnace. It was maintained at this temperature for an additional 2 h. After being cooled down, the resultant powders (about 500 mg) were ultrasonicated with deionized water, collected by filtration, and finally dried under vacuum at 60 \u00b0C. An aqueous solution of g-C3N4 (approximately 3 mg mL^-1) was prepared. 10 mL of the g-C3N4 aqueous solution was mixed with 10 mL of TiO2 (approximately 1.8 mg mL^-1) aqueous solution. The mixture was stirred for 30 min, followed by centrifugation. The precipitates were washed with water and ethanol for several times. Finally, the precipitates were dried under vacuum at 60 \u00b0C overnight. A powder of g-C3N4/TiO2 was obtained. Then, the g-C3N4/TiO2 powder was placed in a tube furnace. The sample was heated from room temperature to 900 \u00b0C with a ramp rate of 5 \u00b0C/min and further maintained at this temperature for 2 h under Ar atmosphere. The final product of CN-NT was acquired. Then, 100 mg of CN-NT was dispersed in 100 mL of HCl (7 M). The solution was refluxed at 120 \u00b0C for 12 h. After being filtered and washed with deionized water, the resulting product was acquired. The product was then calcined at 900 \u00b0C for 2 h under Ar atmosphere. The final product of CN@TiO2 was acquired. Then, 100 mg of CN@TiO2 was placed in a tube furnace. The sample was heated from room temperature to 900 \u00b0C with a ramp rate of 5 \u00b0C/min and further maintained at this temperature for 2 h under Ar atmosphere. The final product of CN-NT@TiO2 was acquired.\nSAC synthesis: 100 mg of CN-NT@TiO2 was dispersed in 100 mL of HCl (7 M). 25 mg of Y(NO3)3\u00b76H2O was added to the solution. The solution was refluxed at 120 \u00b0C for 12 h. After being filtered and washed with deionized water, the resulting product was acquired. Then, the product was calcined at 900 \u00b0C for 2 h under Ar atmosphere. The final product of Tb SA/CN@TiO2 was acquired.", + "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: CN was prepared by calcinating 10 g of urea in a muffle furnace at 550 \u00b0C for 4 h (heating rate of 5 \u00b0C/min). After cooling down to room temperature, the acquired prototype was washed three times with ultrapure water, centrifuged, and dried overnight at 60 \u00b0C under vacuum. The obtained light yellow powder is carbon nitride nanosheets (CN). 10 g of urea, 0.2 g of Pr(NO3)3\u00b76H2O, 0.02 g of Na2MoO4\u00b72H2O, and 0.5 g of CN were put into 40 mL of H2O under vigorous stirring until the formation of solution A. 2-Aminoethyl phosphonic acid (2-AEAP) (2.5 mmol) was dissolved in 10 mL of H2O to form solution B. Then, solution A was added dropwise to solution B and stirred for 30 min. The precipitates were collected by washing with ultrapure water several times, centrifugation, and drying overnight at 60 \u00b0C under vacuum. SAC synthesis: Finally, the dried powder was used as the precursor and transferred into a tube furnace for further calcination at 900 \u00b0C for 2 h under an Ar atmosphere.", + "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: 10 g of urea was put into a covered crucible and heated to 550 \u00b0C at a ramp rate of 5 \u00b0C/min in air. It was maintained at this temperature for an additional 2 h. After being cooled down, the resultant powders (about 500 mg) were grinded, collected, and soaked in HCl solution (2 M) with vigorous stirring overnight to remove metal impurities. Then, the sample was dried at 60 \u00b0C under vacuum. The sample is designated as CN.\nSAC synthesis: A certain amount of CN and TmCl3\u00b76H2O solutions with different mass ratios (x = 0.7%, 1%, 1.5%, and 2%) were prepared by adding TmCl3\u00b76H2O solution (1 mL) dropwise into CN (100 mg) with continuous stirring. The mixture was finally dried at 60 \u00b0C under vacuum. The samples were designated as Tm-CN-0.7%, Tm-CN-1%, Tm-CN-1.5%, and Tm-CN-2%.", + "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: 10 g of urea was put into a covered crucible and heated to 600 \u00b0C at a ramp rate of 5 \u00b0C/min in muffle furnace. It was maintained at this temperature for an additional 2 h. After being cooled down, the resultant powders (about 500 mg) were ultrasonicated with deionized water, collected by filtration, and finally dried under vacuum at 60 \u00b0C. An aqueous solution of g-C3N4 (approximately 3 mg mL^-1) was prepared. 100 mL of the g-C3N4 solution was mixed with 167 \u03bcL of SmCl3\u00b76H2O (20 mM), then stirred and centrifuged. The obtained precipitates were further centrifuged and dried under vacuum at 60 \u00b0C. A pale yellow powder was acquired.\nSAC synthesis: The Sm-g-C3N4 sample was prepared via a two-step exfoliation method. Firstly, 100 mg of bulk g-C3N4 was dispersed in 100 mL of hexane by sonication for 30 min. Then, 100 \u03bcL of SmCl3\u00b76H2O (20 mM) was added dropwise to the above solution. The mixture was sonicated for another 30 min followed by stirring overnight. Finally, the Sm-g-C3N4 precipitates were collected by washing with ethanol and water several times and dried under vacuum at 60 \u00b0C.", + "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: 1.5 g of commercial carbon nitride was added to 20 mL of 8 molL GLYPH<0> 1 nitric acid solution and stirred for 4 h at room temperature. The resulting powder was filtered and washed with deionized water several times, and then dried in a vacuum oven at 60 \u00b0C overnight. 3.0 g of oxidized carbon nitride was dispersed in 40 mL of deionized water by sonication or stirring for 1 h. Then, 0.203 mL of lutetium nitrate solution (2.5 molL GLYPH<0> 1 ) was added dropwise to the carbon nitride dispersion under vigorous stirring. After continuous stirring overnight, the mixture was centrifuged to obtain a solid product, which was then washed three times with deionized water and ethanol, and dried in a vacuum oven at 60 \u00b0C overnight. The sample was further calcined in air at 400 \u00b0C for 2h to obtain Lu/CN-NT.", + "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: 10 g of urea was put into a covered crucible and heated to 600 \u00b0C at a ramp rate of 5 \u00b0C/min in muffle furnace. It was maintained at this temperature for an additional 2 h. After being cooled down, the resultant powders (about 300 mg) were grinded and collected. Next, the samples were transferred into tube furnaces and pyrolyzed under Ar atmosphere at 900 \u00b0C for 2 h. The final product of carbon nitride nanosheets (CN-NT) was collected.\nSAC synthesis: About 20 mg of CN-NT was dispersed in 10 mL of deionized water by sonication. Several drops of a 0.1M HCl solution were used to adjust the pH value of the solution to 8-8.5. 150 \u03bcL of an aqueous solution containing Er(NO3)3\u00b76H2O (0.4 mg) was added dropwise into the suspension of CN-NT under magnetic stirring. A freshly prepared NaBH4 solution (1 mg/mL) was then added dropwise to the above mixture. After being stirred continuously for 3 h, the suspension was centrifuged and washed with ethanol and water several times. Finally, the product was dried in vacuum at 70 \u00b0C.", + "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: CN was prepared by calcinating 10 g of urea in a muffle furnace at 550 \u00b0C for 4 h (heating rate of 5 \u00b0C/min). After cooling down to room temperature, the acquired prototype was washed three times with ultrapure water, centrifuged, and dried overnight at 60 \u00b0C under vacuum. The obtained light yellow powder was used as the precursor for further processing.\nSAC synthesis: Firstly, 2 g of CN was added into a mixed solution containing 20 mL of deionized water and 3.0 mL of HNO3 (9 M) under vigorous stirring. After that, 20 mg of YbCl3\u00b76H2O was added to the above mixture. The mixture was transferred into an oil bath and heated at 70 \u00b0C for 18 h. The mixture was centrifuged, washed with ultrapure water several times, and dried overnight at 60 \u00b0C under vacuum. Finally, the dried powder was heated at 500 \u00b0C for 2 h under Ar atmosphere at a ramp rate of 5 \u00b0C/min. The obtained black powder was named as Yb SA/CN-NT. The obtained material was directly used without further treatment.", + "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: Graphitic carbon nitride was synthesized by thermal polymerization of melamine at 550 \u00b0C for 4 h.\nSAC synthesis: For the synthesis of galladium single atom/carbon nitride nanotubes, 100 mg of carbon nitride nanotubes was dispersed in 20 mL of deionized water under ultrasonication for 30 min. Then, a certain amount of galladium acetate solution (1.6 mg Gd(Ac) was added to the above suspension and stirred for 12 h at room temperature. The resulting suspension was centrifuged, washed with ethanol and deionized water several times, and dried at 80 \u00b0C for 12 h. Finally, the dried powder was calcined at 400 \u00b0C for 2 h under an Ar atmosphere.", + "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: WCl\u2084 (Tungsten (IV) chloride) was purchased from Sigma-Aldrich. Dicyandiamide (C\u2082H\u2084N\u2084) was purchased from Sigma-Aldrich. D (+)-Glucose (C\u2086H\u2081\u2082O\u2086) was purchased from Merck KGaA.\nSAC synthesis: To a 5 mL vial containing a magnetic stirring bar, glucose (10 mg), dicyandiamide (100 mg), and WCl\u2084 (2.4 mg) was added. The vial was sealed with a septum, dried under vacuum, and heated to 60 \u00b0C for 3 days. The resulting powder was then transferred to a quartz boat in a tube furnace and annealed at 800 \u00b0C under Ar flow (100 sccm). After cooling down naturally, the sample was collected.", + "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: 0.2 g glucose, 2 g dicyandiamide, and the same moles of Cobalt chloride hexahydrate (CoCl2\u00b76H2O) as Nickel chloride hexahydrate (NiCl2\u00b76H2O) were dispersed in 70 mL deionized water and stirred for 12 h to get a homogeneous solution.\nSAC synthesis: The solution was quickly frozen by liquid nitrogen and freeze-dried in a freeze dryer with vacuum. Afterward, the resultant powders were pyrolyzed at 550 \u00b0C for 2 h and 800 \u00b0C for 2 h under a flowing Ar atmosphere. The as-obtained product was denoted as Co SAs/AC@NG.", + "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: 0.2 g glucose, 2 g dicyandiamide, and the same moles of Nickel chloride hexahydrate (NiCl3\u00b76H2O) as Cobalt chloride hexahydrate (CoCl2\u00b76H2O) were dispersed in 70 mL deionized water and stirred for 12 h to get a homogeneous solution.\nSAC synthesis: The solution was quickly frozen by liquid nitrogen and freeze-dried in a freeze dryer with vacuum. Afterward, the resultant powders were pyrolyzed at 550 \u00b0C for 2 h and 800 \u00b0C for 2 h under a flowing Ar atmosphere. The as-obtained product was denoted as Ni SAs/AC@NG.", + "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: Zinc acetate dihydrate (10 mmol), cobalt acetate tetrahydrate (1 mmol), and manganese acetate tetrahydrate (2 mmol) were dissolved in methanol (290 mL) by using a single conical flask. At the same time, 2-methylimidazole (148 mmol) was added in another beaker containing 290 mL of methanol. A metal solution was added to the linker solution with continuous stirring for 2 h. Subsequently, it was kept for 24 h without stirring to grow Co-/Mn-doped ZIF-8 nanocrystals. The solid precipitate was collected by centrifugation and washed several times with methanol to give CoMn-ZIF. It was then dried under a vacuum at 80 \u00b0C overnight for further use.\nSAC synthesis: The as-obtained light purple nanocrystals of CoMn-ZIF were carbonized using a tubular furnace at 950 \u00b0C for 4 h under a continuous flow of Ar gas having an outlet bubbling flow rate of 1 bubble s-1. The ramping rate to reach the maximum temperature was 5 \u00b0C min-1. After cooling to room temperature, the black powder was treated with a 10% H2SO4 solution at 70 \u00b0C for 16 h. Subsequent centrifugation and washing with plenty of deionized water led to a black solid. It was further washed with ethanol and dried at 70 \u00b0C in a vacuum oven overnight. Finally, the product was obtained after several drying steps and was denoted as CoMn/NC.", + "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: ZnO NS with diameter of \u2248 120 nm was prepared by sonochemical synthesis. Briefly, aqueous solutions of Zn(CH3COO)2\u00b72H2O (4.0 mmol) and triethylamine (TEA, 8.0 mmol) were mixed in 60 mL of water. After vigorous stirring for 30 min at room temperature, the mixture was aged for 12 h. The product was centrifuged and washed with water for three times and then dried at 60 \u00b0C overnight. ZnO@Zn/Ni-ZIF precursor was synthesized by solvothermal reaction between ZnO NS and a mixed metal nitrate solution (containing Zn(NO3)2\u00b76H2O and Ni(NO3)2\u00b76H2O with molar ratio of 2:1). The solvothermal temperature was 160 \u00b0C for 12 h. SAC synthesis: As-synthesized ZnO@Zn/Ni-ZIF precursors were subjected to a two-stage heat treatment: Holding at 550 \u00b0C (2 \u00b0C min^-1) for 1 h under Ar atmosphere. Then heating to 900 \u00b0C (5 \u00b0C min^-1) for 3 h under Ar atmosphere. The final product of Ni single atoms (SAs) anchored on nitrogen-doped hollow carbon nanocubes (NCs) was obtained.", + "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: Zn(NO3)2\u00b76H2O (1.069 g) was dissolved in N, N-Dimethylformamide (DMF) and methanol solution. A certain amount of silver acetylacetonate (AgC10H14O4, 25 mg) was dissolved in DMF (5 mL). Solution B was added to solution A and stirred for 10 min. The mixed solution was kept at room temperature without stirring for 20 h. The resulting precipitate was collected by centrifugation, followed by washing with methanol and then drying under vacuum to obtain Ag-zeolitic imidazolate framework (ZIF-8). SAC synthesis: Ag-ZIF8 sample was pyrolyzed at 950 \u00b0C for 3 h under N2 atmosphere to obtain Ag-Co3O4-polyhedron.", + "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: Zn(NO3)2\u00b76H2O (1.069 g) was dissolved in N, N-Dimethylformamide (DMF) and methanol solution. A certain amount of silver acetylacetonate (AgC10H14O4, 25 mg) was dissolved in DMF (5 mL). Solution B was added to solution A and stirred for 10 min. The mixed solution was kept at room temperature without stirring for 20 h. The resulting precipitate was collected by centrifugation, followed by washing with methanol and then drying under vacuum to obtain Ag-zeolitic imidazolate framework (ZIF-8). SAC synthesis: Ag-ZIF8 sample was pyrolyzed at 950 \u00b0C for 3 h under N2 atmosphere to obtain Ag-Co3O4-polyhedron.", + "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: 1.0 g of cobalt nitrate hexahydrate and 0.5 g of silver nitrate dihydrate were dissolved in a mixture solution of 20 mL ethanol and 20 mL methanol. 1.2 g of polyvinylpyrrolidone (PVP) was dissolved in another mixture solution containing 20 mL ethanol and 20 mL methanol. The above two solutions were mixed together and stirred continuously for 24 hours at room temperature to form an orange-colored precipitate (CoAg-PVP). The obtained CoAg-PVP was collected by centrifugation, washed three times with deionized water, and finally dried at 60 \u00b0C overnight.\nSAC synthesis: In Ar atmosphere, the powder of CoAg-PVP was calcined at 900 \u00b0C for 2 hours and then cooled down to room temperature. The product was then treated with 1 M HCl at 80 \u00b0C for 12 hours to remove the inactive and unstable ZIF-67 species. After washing thoroughly with deionized water, the final product was achieved and denoted as Ag-Co3O4-cube.", + "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, 30 mL of 2-methylimidazole (1.68 g) was dissolved in 50 mL of methanol. Subsequently, 25 mL of methanol containing 1.19 g of Zn(NO3)2\u00b76H2O was added to the above solution under vigorous stirring for 1 h at room temperature. After that, the obtained solution was centrifuged and washed with methanol for three times and then dried in vacuum at 60 \u00b0C overnight. The obtained sample was noted as ZIF-8.\n\nSAC synthesis: Firstly, ZIF-8 (100 mg) was dispersed in 10 mL of methanol. Subsequently, 10 mL of methanol containing 10 mg of AgNO3 was injected into the above solution under vigorous stirring for 1 h at room temperature. Then, the solution was centrifuged and washed with methanol for several times and finally dried in vacuum at 60 \u00b0C overnight. The obtained sample was denoted as Ag/ZIF-8.", + "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: 1.736 g NaCl and 0.218 g glucose monohydrate were dissolved in 10 mL deionized water, then the solution was freeze-dried for 48 h to remove water. The obtained solid was calcined at 900 \u00b0C for 2 h under argon atmosphere with a heating rate of 5 \u00b0C/min. The obtained black powder was added into 20 mL 0.5 M HNO3 solution and stirred for 8 h at room temperature, then the suspension was filtered and dried at 60 \u00b0C overnight. The obtained powder was calcined at 400 \u00b0C for 2 h under argon atmosphere with a heating rate of 5 \u00b0C/min.\nSAC synthesis: 100 mg FeOx powder was dispersed in 10 mL deionized water by sonication. Then, 25 \u03bcL palladium acetate solution (10 mg/mL) was added into the above solution and stirred for 12 h at room temperature. After that, the suspension was filtered and dried at 60 \u00b0C overnight. Finally, the powder was calcined at 400 \u00b0C for 2 h under Argon atmosphere with a heating rate of 5 \u00b0C/min.", + "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: Briefly, 1.0 g of Zn(NO3)2\u00b76H2O and 0.5 g of Rh(acac)3 were dissolved in 30 mL of methanol to form a transparent solution A. Then, 1.5 g of 2-methylimidazole was dissolved in 40 mL of methanol to form solution B. After adding solution A to solution B dropwise, the mixed solution was vigorously stirred at room temperature for 24 h. The obtained precipitates were centrifuged and washed with methanol three times and dried in vacuum at 60 \u00b0C overnight.\nSAC synthesis: Next, the powder of Rh-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 3 h under flowing argon gas and then naturally cooled to room temperature. Then, the as-obtained powder was further diluted with HCl to remove metal particles.", + "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: 2.5 mmol of FeCl\u2083\u00b76H\u2082O (595 mg) was dissolved in 100 mL of ethanol to form a homogeneous solution. 10 g of magnesium hydroxide was added to the solution and stirred for another 1 h. Ethanol was removed by rotary evaporation, and the remaining solid was dried at 80 \u00b0C for 12 h and then calcined at 900 \u00b0C for 2 h under ammonia gas flow (50 mL/min). The obtained black powder was reduced with 10% H\u2082 at 80 \u00b0C for 4 h and then treated with 1 M HNO\u2083 for 12 h to remove the template. After filtration, the obtained solid was dried at 60 \u00b0C for 6 h and denoted as Fe-N-C.\nSAC synthesis: 0.1 g of Fe-N-C was added into 50 mL of methanol solution containing 10 g of hexamethylenetetramine (HMTA, 98%) by ultrasonication for 30 min. 25 mL of methanol containing 0.76 g of Zn(NO\u2083)\u2082\u00b76H\u2082O was subsequently injected into the above mixture and stirred for another 12 h. The precipitate was collected by centrifugation and washed with ethanol several times. After drying at 60 \u00b0C overnight, the obtained solid was subjected to pyrolysis at 900 \u00b0C for 2 h under ammonia gas flow (50 mL/min). The product was designated as Fe-N-C@Zn-NC.", + "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 [Rh(NH2CH2CH2NH2)3](NO3)3 solution was prepared by dissolving 0.093 g Rh(NO3)3 solution in 0.3 ml ethylenediamine and 3 ml H2O mixture, the resulted solution was then added dropwise into the above mixture and no precipitates were generated under stirring for 30 min.\nSAC synthesis: Rh nanoparticles encapsulated within silicalite-1 samples (Rh@S-1-m) were synthesized via one-pot hydrothermal method using Rh precursors stabilized with ethylenediamine. Typically, 13.5 g TPAOH solution was mixed with 15.45 g deionized water by a continuous stirring for 10 min, followed by adding 8.32 g TEOS into the above mixture. After a continuous stirring for 6 h, TEOS was fully hydrolyzed, and the mixture became clear. A series of [Rh(NH2CH2CH2NH2)3](NO3)3 solutions were prepared by mixing a 5 wt% Rh(NO3)3 solution (0.093 -1.11 g) with 0.075 ml ethylenediamine and 3 ml H2O. The [Rh(NH2CH2CH2NH2)3](NO3)3 solution was added dropwise to the silica source. After the mixture was stirred for 30 min, it was transferred into a 100 ml Teflon-lined stainless-steel autoclave and was heated at 170 \u00b0C for 3 days. The solid product was separated by filtration and washed with distilled water and ethanol for several times, and then dried at 80 \u00b0C overnight. Finally, the Rh@S-1-m sample was obtained after calcination in air at 550 \u00b0C for 6 h.", + "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: Rhodium chloride hydrate (RhCl3\u00b7xH2O) was purchased from Aladdin.\nSAC synthesis: 10.0 g of zinc nitrate hexahydrate and 0.4 g of rhodium chloride hexahydrate were dissolved in methanol solution with stirring for 30 min. The mixture was then dried at 60 \u00b0C for 5 h. The dried powder was calcined in solid at 900 \u00b0C for 2 h under N2 atmosphere. The obtained sample was pickled in 1 M HCl for 12 h to remove the naked Rh particles. After washing with ultrapure water three times, the dried powder was annealed in solid at 900 \u00b0C for 2 h under N2 atmosphere.", + "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 [Rh(NH2CH2CH2NH2)3](NO3)3 solution was prepared by dissolving 0.093 g Rh(NO3)3 solution in 0.3 ml ethylenediamine and 3 ml H2O mixture, the resulted solution was then added dropwise into the above mixture and no precipitates were generated under stirring for 30 min.\nSAC synthesis: Rh nanoparticles encapsulated within silicalite-1 samples (Rh@S-1-m) were synthesized via one-pot hydrothermal method using Rh precursors stabilized with ethylenediamine. Typically, 13.5 g TPAOH solution was mixed with 15.45 g deionized water by a continuous stirring for 10 min, followed by adding 8.32 g TEOS into the above mixture. After a continuous stirring for 6 h, TEOS was fully hydrolyzed, and the mixture became clear. A series of [Rh(NH2CH2CH2NH2)3](NO3)3 solutions were prepared by mixing a 5 wt% Rh(NO3)3 solution (0.093 -1.11 g) with 0.075 ml ethylenediamine and 3 ml H2O. The [Rh(NH2CH2CH2NH2)3](NO3)3 solution was added dropwise to the silica source. After the mixture was stirred for 30 min, it was transferred into a 100 ml Teflon-lined stainless-steel autoclave and was heated at 170 \u00b0C for 3 days. The solid product was separated by filtration and washed with distilled water and ethanol for several times, and then dried at 80 \u00b0C overnight. Finally, the Rh@S-1-m sample was obtained after calcination in air at 550 \u00b0C for 6 h.", + "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: ZnO NS with diameter of \u2248 90 nm was prepared by sonochemical synthesis. Briefly, aqueous solutions of Zn(CH3COO)2\u00b72H2O (4.0 mmol) and triethylamine (TEA, 8.0 mmol) were mixed in 60 mL of water. After vigorous stirring for 30 min, the mixture was aged at 60 \u00b0C for 12 h. The product was collected by centrifugation and washed with water for three times, and then dried in vacuum at 60 \u00b0C overnight. ZIF-8 NS with diameter of \u2248 190 nm was prepared by solvothermal method. Briefly, ZnO NS was dispersed into 50 mL of methanol solution containing 40 mmol of 2-methylimidazole and 0.5 mmol of cetyltrimethylammonium bromide (CTAB). After ultrasound for 10 min, 2-methylimidazole solution was added to the above mixture. After being stirred evenly, the mixture was transferred into a 100 mL Teflon-lined stainless-steel autoclave and kept at 140 \u00b0C for 14 h. The product was collected by centrifugation and washed with methanol for five times, and then dried in vacuum at 60 \u00b0C overnight. Fe-ZIF-8 NS was prepared as follows. ZIF-8 NS was dispersed into 50 mL of methanol solution containing 40 mmol of 2-methylimidazole and 0.5 mmol of CTAB, and then 2.7 mg of iron(III) chloride hexahydrate (FeCl3\u00b76H2O) was added. After ultrasound for 10 min, 2-methylimidazole solution was added to the above mixture. After being stirred evenly, the mixture was transferred into a 100 mL Teflon-lined stainless-steel autoclave and kept at 140 \u00b0C for 14 h. SAC synthesis: Fe-ZIF-8 NS was directly pyrolyzed under N2 flow at 900 \u00b0C for 2 h with a heating rate of 5 \u00b0C min-1. The product was collected from the crucible and named as FeSA/FeNP-NSC/S-X, where X represents the particle size of Fe.", + "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: 1.8 mmol of zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O, Sinopharm Chemical Reagent Co., Ltd.) was dissolved in 40 mL of methanol under stirring at room temperature for 5 min to form solution A. 0.9 mmol of cobalt nitrate hexahydrate (Co(NO3)2\u00b76H2O, Sinopharm Chemical Reagent Co., Ltd.) and 0.3 mmol of chloropalladium acid dihydrate (H2PdCl4, Sinopharm Chemical Reagent Co., Ltd.) were dissolved in 20 mL of methanol under stirring at room temperature for 5 min to form solution B. Solution A was then added into solution B. The mixed solution was then vigorously stirred at 100 \u00b0C for 24 h. After cooling down to room temperature, the product was collected by centrifugation and washed three times with methanol, and then dried at 60 \u00b0C overnight. Zn1Co1.8Pd0.2/TiO2 was obtained.\nSAC synthesis: Zn1Co1.8Pd0.2/TiO2 was reduced in a tube furnace at 500 \u00b0C under 5% H2/Ar gas for 0.5 h.", + "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: Zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O, 3.348 g) and dimethyl imidazole (2-MI, 3.696 g) were completely dissolved in methanol (90 mL), respectively. The two solutions were mixed and stirred for 24 h. The precipitate was separated by centrifuge and washed with methanol three times. The zeolitic imidazolate framework (ZIF-8) product was obtained after drying under vacuum at 60 \u00b0C overnight. The ZIF-8 powder was heated at 900 \u00b0C in 10 vol% NH3 and Ar atmosphere for 20 min, and then in Ar atmosphere for 100 min. The final black powder was named as NC(MP).\nSAC synthesis: The NC(MP) and anhydrous FeCl2 (5 mg) were homogenously dispersed in ethanol (5 mL) by ultrasonication for 2 h. The precipitate was separated by centrifuge and then dried under vacuum at 80 \u00b0C. The obtained mixture was named as FeCl2/NC(MP). The FeCl2/NC(MP) was heat-treated in 10 vol% H2 and Ar atmosphere at 360 \u00b0C for 5 h. The product was labeled as FeNC(HP).", + "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: 0.6 mmol Ni(NO3)2\u00b76H2O, 0.6 mmol Cr(NO3)3\u00b79H2O, and 1.5 mmol Zn(NO3)2\u00b76H2O were dissolved in 80 mL methanol as solution A. 40 mmol 2-methylimidazole was dissolved in 80 mL methanol as solution B. Solution A was poured into solution B and stirred for 5 min at room temperature. The mixed solution was transferred into a 100 mL Teflon-lined stainless-steel autoclave and kept at 120\u00b0C for 4 h. The obtained product was separated by centrifugation, washed with ethanol, and dried at 60\u00b0C overnight. The mixture of the Ni/Cr-LDHs powder (100 mg) and ZnCl2 (1 g) was put into a corundum boat. Then it was heated to 900\u00b0C for 2 h under Ar flowing (heating rate: 5 \u00b0C/min). The obtained black powder was named NC-Zn/Ni/Cr. SAC synthesis: The NC-Zn/Ni/Cr was mixed with 5% Co(NO3)2\u00b76H2O in methanol solution at room temperature for 6 h. After drying at 60\u00b0C overnight, the mixture was calcined at 900\u00b0C for 2 h under Ar flowing (heating rate: 5 \u00b0C/min). Then it was etched with 2 M HCl solution at 80 \u00b0C for 4 h. After washing with water and ethanol for three times, the dried powder was finally obtained and denoted as Co-NC-Zn/Ni/Cr.", + "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: Co(OAc)2\u00b74H2O\nSAC synthesis: 40 mg of CN was dispersed in 10 mL of ethanol. Then, 100 \u03bcL of DMF solution containing Co(OAc)2\u00b74H2O (0.8 mg of Co 2+ ) was added. The resulting suspension was gently stirred and kept at 80 \u2103 for 6 h. Afterward, the suspension was centrifuged, washed with ethanol, and dried at 70 \u2103. The dry powder was annealed at 400 \u2103 under an Ar atmosphere with a heating rate of 5 \u2103 min -1 and maintained at this temperature for 2 h. The resulting sample is named CN/Co-OAc.", + "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: Cu(OAc)2\u00b7H2O\nSAC synthesis: 2D SA-MoS2 with different Cu atoms were prepared by a modified hydrothermal method. In a typical experiment, 12 mL of Cu(OAc)2\u00b7H2O solution was added into thiourea solution (0.5 mM) and stirred overnight to form 0.2 mM standby solution. Then, 50 mg of m-MoS2 and 30 mg of polyvinylpyrrolidone were dispersed in water/isopropanol (1:1, v/v) mixture stirring for 30 min and sonicated for 1 h. After that, 4 mL of the above standby solution was injected into the m-MoS2 dispersion and stirred for 4 h. Finally, the products were obtained by centrifugation and drying at 80 \u00b0C for 12 h.", + "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: Ni(OAc)2\u00b74H2O\nSAC synthesis: 40 mg of CN was dispersed in 10 mL of ethanol. Then, 100 \u03bcL of DMF solution containing Ni(OAc)2\u00b74H2O (0.8 mg of Ni 2+ ) was added. The resulting suspension was gently stirred and kept at 80 \u2103 for 6 h. Afterward, the suspension was centrifuged, washed with ethanol, and dried at 70 \u2103. The dry powder was annealed at 400 \u2103 under an Ar atmosphere with a heating rate of 5 \u2103 min -1 and maintained at this temperature for 2 h. The resulting sample is named CN/Ni-OAc.", + "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: Fe(OAc)2\u00b74H2O\nSAC synthesis: 40 mg of CN was dispersed in 10 mL of ethanol. Then, 100 \u03bcL of DMF solution containing Fe(OAc)2\u00b74H2O (0.8 mg of Fe 2+ ) was added. The resulting suspension was gently stirred and kept at 80 \u2103 for 6 h. Afterward, the suspension was centrifuged, washed with ethanol, and dried at 70 \u2103. The dry powder was annealed at 400 \u2103 under an Ar atmosphere with a heating rate of 5 \u2103 min -1 and maintained at this temperature for 2 h. The resulting sample is named CN/Fe-OAc.", + "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 initial solids were weighed separately to maintain a stoichiometric ratio of 1.0. Then, the mixed solids were added into a 50 mL Teflon-lined autoclave containing 40 mL of deionized water and subjected to hydrothermal treatment at 180 \u00b0C for 6 h. After cooling down naturally, the product was collected by centrifugation and dried overnight at 60 \u00b0C in a forced air-drying oven.\nSAC synthesis: The resulting solid was then used as the starting material and transferred into a quartz tube furnace system. The temperature was increased to 900 \u00b0C under a 100 sccm flow of UHP N2 within 30 min and maintained at that temperature for 60 min. After that, the furnace was allowed to natural cool down to room temperature. The final product of Cu SA/rcu-Al2O3 was collected from the quartz tube furnace system.", + "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: First, we mixed 0.5 mL of ethanol and 15 mL of water in a beaker. Then, 2 mL of ammonia (NH4OH) was added to the above solution under vigorous stirring for 3 min at room temperature. Subsequently, 0.5 mL of TEOS was added dropwise into the solution followed by stirring for 2 h. After that, the solution was centrifuged at 8000 rpm for 6 min. The SiO2 nanoparticles were obtained by drying at 70 \u2103 for 12 h. Finally, the solution was dispersed in 10 mL of water again. Then, 100 mg of dopamine hydrochloride was added to the above solution under vigorous stirring for 24 h. In the end, SiO2/PDA@SiO2 core-shell nanospheres were obtained by suction filtration and dried at 70 \u2103 for 12 h. Next, these samples were calcined at 900 \u2103 for 3 h with a ramp rate of 5 \u2103/min under flowing Ar gas. In the end, the inner SiO2 layer was etched away by 5 M NaOH hot solution for 24 h, leading to the formation of SiO2/PdSA@CoSA/SiO2 nanospheres. Afterwards, the solution was centrifuged at 8000 rpm for 6 min. The PdSA@CoSA nanospheres were obtained by washing with water and ethanol alternately and finally dried at 70 \u2103 for 12 h. In the end, these samples were calcined at 900 \u2103 for 3 h with a ramp rate of 5 \u2103/min under flowing Ar gas. In addition, the as-prepared PdSA@CoSA nanospheres were further activated in the temperature range of 40-150 \u2103 for 24 h under flowing 20% H2/Ar to obtain the final catalysts (PdSA@CoSA/SiO2-H2).", + "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: First, we mixed 0.5 mL of ethanol and 15 mL of water in a beaker. Then, 2 mL of ammonia (NH4OH) was added to the above solution under vigorous stirring for 3 min at room temperature. Subsequently, 0.5 mL of TEOS was added dropwise into the solution followed by stirring for 2 h. After that, the solution was centrifuged at 8000 rpm for 6 min. The SiO2 nanoparticles were obtained by drying at 70 \u2103 for 12 h. Finally, the solution was dispersed in 10 mL of water again. Then, 100 mg of dopamine hydrochloride was added to the above solution under vigorous stirring for 24 h. In the end, SiO2/PDA@SiO2 core-shell nanospheres were obtained by suction filtration and dried at 70 \u2103 for 12 h. Next, these samples were calcined at 900 \u2103 for 3 h with a ramp rate of 5 \u2103/min under flowing Ar gas. In the end, the inner SiO2 layer was etched away by 5 M NaOH hot solution for 24 h, leading to the formation of SiO2/PdSA@CoSA/SiO2 nanospheres. Afterwards, the solution was centrifuged at 8000 rpm for 6 min. The PdSA@CoSA nanospheres were obtained by washing with water and ethanol alternately and finally dried at 70 \u2103 for 12 h. In the end, these samples were calcined at 900 \u2103 for 3 h with a ramp rate of 5 \u2103/min under flowing Ar gas. In addition, the as-prepared PdSA@CoSA nanospheres were further activated in the temperature range of 40-150 \u2103 for 24 h under flowing 20% H2/Ar to obtain the final catalysts (PdSA@CoSA/SiO2-H2).", + "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: None.\nSAC synthesis: The Pt single-atom catalyst was prepared by a method that mimicked homogeneous C-C coupling catalysts.", + "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: None.\nSAC synthesis: The Pt single-atom catalyst was prepared by a method that mimicked homogeneous C-C coupling catalysts.", + "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: None.\nSAC synthesis: The Pt single-atom catalyst was prepared by a method that mimicked homogeneous C-C coupling catalysts.", + "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: 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 nickel acetylacetonate (Ni(acac)) was dissolved in DMF (5 mL). Solution B was added to solution A and stirred for 10 min. The mixed solutions were kept at room temperature without stirring for 20 h. The resulting precipitate was collected by centrifugation, followed by washing with methanol and then drying under vacuum to obtain Ni-zeolitic imidazolate framework (ZIF-8). SAC synthesis: Ni-ZIF8 sample was pyrolyzed at 950 \u00b0C for 3 h under N2 atmosphere to obtain Ni-NC-950.", + "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: 20 mg TBA6PtP2W12O40\u00b7xH2O was added to a Teflon-lined autoclave containing 5 mL of deionized water and the mixture was stirred for 30 min.\nSAC synthesis: The autoclave was sealed and placed in an oven at 180 \u00b0C for 24 h. After cooling to room temperature, the product was collected by centrifugation and washed with deionized water three times. Finally, the product was dried overnight under vacuum at 60 \u00b0C.", + "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: 6.133 g of 2-methylimidazole was dissolved in 160 mL of methanol, which was subsequently added into 160 mL of methanol containing 5.573 g of Zn(NO3)2\u00b76H2O and 1.464 g of ferrocene, and then stirred vigorously at room temperature for 22 hours and collected by centrifugation. The light-yellow solid powder was dried at 60 \u00b0C in a vacuum oven for 6 h and sealed in glass bottles for later use.\nSAC synthesis: In Ar atmosphere, the as-synthesized powder of Fe@ZIF-8 was heated to 900 \u00b0C for 2 h at a rate of 5 \u00b0C min -1 and then cooled down naturally to room temperature. Then it was further treated with HCl at 80 \u00b0C overnight to remove unstable species and successively dried in a vacuum oven at 80 \u00b0C for 6 h. Finally, the sample was reduced with 5% H2/Ar at 80 \u00b0C for 2 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: 6.4 g of dicyandiamide (C2H4N4), 1.6 g of L-cysteine (C3H7NO2S), and 21 mg of Ruthenium(III) acetylacetonate (Ru(acac)3, 97%) were homogeneously ground into a fine powder complex using a mortar.\nSAC synthesis: The fine powder complex was put into a crucible with a cover under air and heated to 550 \u00b0C for 2 h at a rate of 2.5 \u00b0C/min in a muffle furnace. After cooling down naturally, the product was obtained as purple powder. Then, the product was mixed with 10% hydrochloric acid solution and stirred overnight to remove metal particles or clusters. Finally, the sample was dried at 60 \u00b0C in a vacuum oven for 8 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: 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: 6.4 g of dicyandiamide (C2H4N4), 1.6 g of L-cysteine (C3H7NO2S), and 21 mg of Rhodium(III) nitrate hydrate (Rh(NO3)3\u00b7xH2O) were first dissolved in 80 mL of deionized water with stirring for 1 hour at room temperature. The solution was then dried by rotary evaporation at 70\u00b0C to obtain a powder.\nSAC synthesis: Finally, the powder was calcined at 550 \u00b0C for 2 hours under a flow of Ar gas, with a heating rate of 2.5 \u00b0C/min. The resulting product was denoted 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: 6.4 g of dicyandiamide (C2H4N4), 1.6 g of L-cysteine (C3H7NO2S), and 21 mg of Ruthenium(III) acetylacetonate (Ru(acac)3, 97%) were homogeneously ground into a fine powder complex using a mortar.\nSAC synthesis: The fine powder complex was put into a crucible with a cover under air and heated to 550 \u00b0C for 2 h at a rate of 2.5 \u00b0C/min in a muffle furnace. After cooling down naturally, the product was obtained as purple powder. Then, the product was mixed with 10% hydrochloric acid solution and stirred overnight to remove metal particles or clusters. Finally, the sample was dried at 60 \u00b0C in a vacuum oven for 8 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: 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: 6.133 g of 2-methylimidazole was dissolved in 160 mL of methanol, which was subsequently added into 160 mL of methanol containing 5.573 g of Zn(NO3)2\u00b76H2O and 1.464 g of ferrocene, and then stirred vigorously at room temperature for 22 hours and collected by centrifugation. The light-yellow solid powder was dried at 60 \u00b0C in a vacuum oven for 6 h and sealed in glass bottles for later use.\nSAC synthesis: In Ar atmosphere, the as-synthesized powder of Fe@ZIF-8 was heated to 900 \u00b0C for 2 h at a rate of 5 \u00b0C min -1 and then cooled down naturally to room temperature. Then it was further treated with HCl at 80 \u00b0C overnight to remove unstable species and successively dried in a vacuum oven at 80 \u00b0C for 6 h. Finally, the sample was reduced with 5% H2/Ar at 80 \u00b0C for 2 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: 6.4 g of dicyandiamide (C2H4N4), 1.6 g of L-cysteine (C3H7NO2S), and 21 mg of Rhodium(III) nitrate hydrate (Rh(NO3)3\u00b7xH2O) were first dissolved in 80 mL of deionized water with stirring for 1 hour at room temperature. The solution was then dried by rotary evaporation at 70\u00b0C to obtain a powder.\nSAC synthesis: Finally, the powder was calcined at 550 \u00b0C for 2 hours under a flow of Ar gas, with a heating rate of 2.5 \u00b0C/min. The resulting product was denoted 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: 0.5 g of cetyltrimethylammonium bromide (CTAB) was dissolved in 70 mL of a mixed solvent of water and methanol (1:1 by volume) in a thermostatic water bath at 30 \u00b0C. 5 mL of Co(CH3COO)2\u00b74H2O (0.3 M/L) aqueous solution was added to the above solution. After stirring for 30 min, a mixed solution containing 10 mL of 2-methylimidazole solution (1.2 M/L) and a certain amount of triethylamine (TEA) was added to the above solution and kept stirring for 4 h. The product was collected via centrifugation, washed with ethanol, and dried in a vacuum oven at 60 \u00b0C overnight.\nSAC synthesis: The powder of ZIF-67 was placed in a tube furnace under Ar gas flow. The temperature was increased to 900 \u00b0C with a heating rate of 5 \u00b0C/min and maintained at this temperature for 2 h. After cooling down naturally, the black powder of Co-N-C was obtained.", + "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: Typically, 2-methylimidazole (1.68 g, 20 mmol) was dissolved in 40 mL methanol with stirring in flask A. Zn(NO3)2\u00b76H2O (1.19 g, 4 mmol), Fe(acac)3 with a certain molar ratio were dissolved in 40 mL methanol with stirring in flask B (the Fe molar-amount compared with Zn was 6%). Then, flask A was subsequently added into flask B. The mixed solution was subsequently kept at room temperature for 24 h. The obtained product was separated by centrifugation and washed subsequently with methanol for several times, and dried in an oven at 70 \u00b0C overnight.\nSAC synthesis: Finally, the powder of Fe(acac)3-ZIF-8 was transferred into a ceramic boat and placed in a tube furnace. The sample was heated to 950 \u00b0C with a heating rate of 2 \u00b0C min-1 and kept at 950 \u00b0C for 3 h under flowing argon gas and then naturally cooled to room temperature. Then, the as-obtained powder was further diluted with HCl to remove metal particles.", + "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: KMnO4 (1.8 mmol) and MnSO4\u00b7H2O (0.6 mmol) were added into a 50 mL Teflon-lined autoclave containing 35 mL deionized water under 1 h magnetic stirring to give a uniform slurry. The reactor was heated to 180 \u00b0C and maintained for 12 h. The obtained product was immersed in a 1 M HNO3 solution for 8 days and changed every 2 days. After that, the product was washed with copious amounts of deionized water to remove free ions adsorbed onto precipitates and dried at 60 \u00b0C.\nSAC synthesis: Silver nitrate (AgNO3) (0.9 mmol) was dissolved in 25 mL methanol to form a transparent solution. The as-obtained HMO (0.5 g) was added into the above solution. The mixture was placed in an oil bath and magnetically stirred at 70 \u00b0C for 12 h. The resulting product was filtered and washed with methanol several times and finally dried at 60 \u00b0C.", + "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: 1.08 g of anhydrous manganese acetate and 0.39 g of nickel acetate were dissolved in 60 mL of DMF. 0.674 g of sodium benzoate was added under vigorous stirring for 12 hours. 1.83 g of terephthalic acid was added for another 1 hour of vigorous stirring. The solution was transferred into a 100 mL Teflon-lined autoclave at 180 \u00b0C for 10 hours. After cooling to room temperature, the product was separated by centrifugation, washed three times with DMF and ethanol, and dried overnight under vacuum at 60 \u00b0C.\nSAC synthesis: The Mn, Ni-MOFs precursor was carbonized in a tubular furnace at 900 \u00b0C. After sulfuric acid leaching, the final product of Ni-N4-O/C-900 was obtained.", + "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: 1,10-phenanthroline, NiCl2\u00b76H2O, H2O, ethanol.\nSAC synthesis: For the preparation of Ni-AC@NiN4-O, 39.6 mg of 1,10-phenanthroline, 29.3 mg of NiCl2\u00b76H2O and 58.8 mg of active carbon were dissolved in 5 mL of water and the solution was stirred for 12 h at room temperature to form a homogeneous solution. Then, the solution was evaporated at 60 \u00b0C and further dried at 105 \u00b0C for 12 h. The mixture was then calcined at 800 \u00b0C for 2 h under Ar atmosphere with a heating rate of 5 \u00b0C min -1. The final product was ground and marked as Ni-AC@NiN4-O.", + "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: 0.6 mmol Ni(NO3)2\u00b76H2O, 0.6 mmol Cr(NO3)3\u00b79H2O, and 1.5 mmol CTAB were dissolved in 80 mL ultrapure water with stirring for 1 h at room temperature. Then, 40 mL ethanol was added to the above solution under stirring for another 1 h. The products were separated by centrifugation and dried at 70 \u2103 overnight. Next, the dried powder was calcined at 400 \u2103 for 4h under a flow of air. Finally, the CrNi-LDH/TiO2 sample was obtained.\nSAC synthesis: 0.6 mmol Ni(NO3)2\u00b76H2O, 0.6 mmol Cr(NO3)3\u00b79H2O, 0.6 mmol Fe(NO3)3\u00b79H2O, and 1.5 mmol CTAB were dissolved in 80 mL ultrapure water with stirring for 1 h at room temperature. Then, 40 mL ethanol was added to the above solution under stirring for another 1 h. The products were separated by centrifugation and dried at 70 \u2103 overnight. Next, the dried powder was calcined at 400 \u2103 for 4h under a flow of air. Finally, the Fe-CrNi-LDH/TiO2 sample was obtained.", + "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: 2.9 g Zn(NO3)2\u00b76H2O was dissolved in 150 mL methanol to prepare solution A. 9.6 g 2-methylimidazole was dissolved in 150 mL methanol to prepare solution B. Solution A was added to solution B and kept stirring for 12 h at room temperature. After centrifugation, the final product was dried at 60 \u00b0C for 5 h. 100 mg ZIF-8 was added into 50 mL methanol solution containing 100 mg phytic acid solution, which was stirred in an oil bath at 45 \u00b0C for 2 h. After filtration, the black solid was placed in an oven at 60 \u00b0C and dried for 8 h. Then, the black solid was heated at 950 \u00b0C for 30 min in a tubular furnace with a heating rate of 5 \u00b0C min-1 under flowing Ar atmosphere. After cooling to room temperature, the product ZnN4/P-C was obtained.", + "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: TiCl3 solution is the Ti precursor. Melamine and 1,10-phenanthroline hydrate are C and N sources.\nSAC synthesis: The catalysts were prepared via pyrolyzing the mixture of TiCl3, melamine, and 1,10-phenanthroline at 600 \u00b0C for 2.5 h in Argon gas flow.", + "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: 1 g of chitosan was dispersed in 100 ml of deionized water and continued stirring for 60 min.\nSAC synthesis: Then, 0.15 mmol of FeCl3 was added. After stirring for 3h, the water in the solution was evaporated at 70 \u00b0C. The obtained samples were ground into powder and then put into tube furnace and nitrogen gas passed at 900 \u00b0C for 4h with a heating rate of 5 \u00b0C /min. The final product was named as Fe-Nx/OC. The Fe content in the catalyst was determined to be 0.2 wt% by inductively coupled plasma emission spectrometer (ICP).", + "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, 2 g dicyandiamide, and the same moles of Nickel chloride hexahydrate (NiCl3\u00b76H2O) as Cobalt chloride hexahydrate (CoCl2\u00b76H2O) were dispersed in 70 mL deionized water and stirred for 12 h to get a homogeneous solution.\nSAC synthesis: The solution was quickly frozen by liquid nitrogen and freeze-dried in a freeze dryer with vacuum. Afterward, the resultant powders were pyrolyzed at 550 \u00b0C for 2 h and 800 \u00b0C for 2 h under a flowing Ar atmosphere. The as-obtained product was denoted as Ni SAs/AC@NG.", + "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: 1 g of chitosan was dispersed in 100 ml of deionized water and continued stirring for 60 min.\nSAC synthesis: Then, 0.6 g of FeCl3\u00b76H2O, 0.3 g of NiCl2\u00b76H2O, 0.9 g of fumaric acid, and 0.6 g of nickel acetate tetrahydrate were added to the above solution. After stirring for 60 min, a mixed solution containing 3 mL of pyrrole and 3 mL of aniline was added drop by drop to the above mixture solution under vigorous stirring at room temperature for 24 h. The resulting samples were separated by centrifugation and dried at 60 \u00b0C for 24 h. Finally, these samples were heated to 800 \u00b0C with a ramping rate of 5 \u00b0C /min and kept for 2 h in Ar atmosphere to obtain Fe/Ni-Nx/OC catalyst.", + "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: 0.6 g melamine, 1.5 g L-Cysteine, and 18 mg K2[PdCl4]\u00b7xH2O were first grounded into a homogeneous precursor by ZrO2 mortar ball for 2 h. 10 mL mixed solution of ethanol and hydrochloric acid (volume ratio 5:1) was added. The slurry continued to be grinded until the ethanol evaporated. The mixture was dried in an oven at 80 \u00b0C and ball milled again for 20 min. SAC synthesis: The fine powder mixture was subjected to a two-stage pyrolysis and carbonization process at the N2 atmosphere (first stage: from 25\u00b0C to 550 \u00b0C, maintain at 550 \u00b0C for 2 h, then heated to 800 \u00b0C for 120 min). The heating rate of the whole process at a rate of 2 \u00b0C/min. After cooling down to room temperature, the product was leached at 80 \u00b0C in 0.5 M H2SO4 to remove the unstable species.", + "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: 0.125 g F127 was dissolved in 60 mL DI water at 40 \u00b0C. 1 g g-CD and PPDA at a 1:2 molar ratio were added, followed by stirring overnight to produce a homogeneous solution. This complex was transferred into a Teflon autoclave and held at 220 \u00b0C for 6 h. After cooling to room temperature, the product was collected by vacuum filtration and washed with DI water.\nSAC synthesis: The as-synthesized nanocages (as-SCNC) were first mixed with DI water. A certain amount of CuCl2\u00b72H2O was then added, and the mixture was stirred continuously for 24 h to allow the adsorption of Cu species. The product was separated from the solution using vacuum filtration. Finally, the sample was dried at 100 \u00b0C for 24 h and calcined in air at 900 \u00b0C for 2 h.", + "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: 0.125 g F127 was dissolved in 60 mL DI water at 40 \u00b0C. 1 g g-CD and PPDA at a 1:2 molar ratio were added, followed by stirring overnight to produce a homogeneous solution. This complex was transferred into a Teflon autoclave and held at 220 \u00b0C for 6 h. After cooling to room temperature, the product was collected by vacuum filtration and washed with DI water.\nSAC synthesis: The as-synthesized nanocages (As-Pt/MPNC) were dispersed in 10 mL DI water containing 10 mg of iron(III) nitrate nonahydrate. After sonicating for 30 min, the mixture was placed in an oil bath maintained at 90 \u00b0C under continuous magnetic stirring. Afterwards, 1 mL of DI water containing 0.08 M chloroplatinic acid hexahydrate was added dropwise into the above solution and kept stirring for another 2 h before cooling down to room temperature. Finally, the product was collected by vacuum filtration and washed with DI water.", + "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: 10.5 mg H\u2082PtCl\u2086\u00b7xH\u2082O, 15.4 mg K\u2082IrCl\u2086\u00b76H\u2082O, or 8.3 mg PdCl\u2082\nSAC synthesis: The metal precursors (PdCl\u2082) were added to cyanamide or to the mixture of cyanamide and colloidal silica in the synthesis of MOFs.", + "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: 0.2 g glucose, 2 g dicyandiamide, and the same moles of Nickel chloride hexahydrate (NiCl3\u00b76H2O) as Cobalt chloride hexahydrate (CoCl2\u00b76H2O) were dispersed in 70 mL deionized water and stirred for 12 h to get a homogeneous solution.\nSAC synthesis: The solution was quickly frozen by liquid nitrogen and freeze-dried in a freeze dryer with vacuum. Afterward, the resultant powders were pyrolyzed at 550 \u00b0C for 2 h and 800 \u00b0C for 2 h under a flowing Ar atmosphere. The as-obtained product was denoted as Ni SAs/AC@NG.", + "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: 0.5 mmol Ni(NO3)2\u00b76H2O, 0.5 mmol Na2MoO4\u00b72H2O, and 3 mmol Zn(NO3)2\u00b76H2O were dissolved in 100 mL methanol as solution A. 8 mmol 2-methylimidazole was dissolved in another 100 mL methanol as solution B. Solution A was poured into solution B and stirred for 5 min at room temperature. The mixed solution was transferred to a 100 mL Teflon-lined autoclave and kept at 120\u00b0C for 4 h. The obtained product was separated by centrifugation, washed with ethanol three times, and dried at 60\u00b0C overnight. The dried powder was heated at 900\u00b0C for 2 h under ammonia gas (NH3, 5%). The calcined powder was etched with 0.5 M H2SO4 at 80\u00b0C for 8 h to remove the Mo/Zn-ZIF coating. After washing with ultrapure water several times and drying at 60\u00b0C overnight, the bare Mo2C-CS was obtained. SAC synthesis: The bare Mo2C-CS was mixed with iodobenzene diacetic acid (IBA, 5 mg) in 10 mL ethanol as solution A. The mixture was sonicated for 5 min and dried at 70\u00b0C. The dried powder was heated at 900\u00b0C for 2 h under Ar gas (Ar, 5%). The calcined powder was washed with 0.5 M HCl at 80\u00b0C for 8 h to remove the IBA coating. After washing with deionized water several times and drying at 60\u00b0C overnight, the bare P/Mo2C-CS was obtained.", + "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: 0.5 mmol Ni(NO3)2\u00b76H2O, 0.5 mmol Na2MoO4\u00b72H2O, and 3 mmol Zn(NO3)2\u00b76H2O were dissolved in 100 mL methanol as solution A. 8 mmol 2-methylimidazole was dissolved in another 100 mL methanol as solution B. Solution A was poured into solution B and stirred for 5 min at room temperature. The mixed solution was transferred to a 100 mL Teflon-lined autoclave and kept at 120\u00b0C for 4 h. The obtained product was separated by centrifugation, washed with ethanol three times, and dried at 60\u00b0C overnight. The dried powder was heated at 900\u00b0C for 2 h under ammonia gas (NH3, 5%). The calcined powder was etched with 0.5 M H2SO4 at 80\u00b0C for 8 h to remove the Mo/Zn-ZIF coating. After washing with ultrapure water several times and drying at 60\u00b0C overnight, the bare Mo2C-CS was obtained. SAC synthesis: The bare Mo2C-CS was mixed with iodobenzene diacetic acid (IBA, 5 mg) in 10 mL ethanol as solution A. The mixture was sonicated for 5 min and dried at 70\u00b0C. The dried powder was heated at 900\u00b0C for 2 h under Ar gas (Ar, 5%). The calcined powder was washed with 0.5 M HCl at 80\u00b0C for 8 h to remove the IBA coating. After washing with deionized water several times and drying at 60\u00b0C overnight, the bare P/Mo2C-CS was obtained.", + "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: 0.125 g F127 was dissolved in 60 mL DI water at 40 \u00b0C. 1 g g-CD and PPDA at a 1:2 molar ratio were added, followed by stirring overnight to produce a homogeneous solution. This complex was transferred into a Teflon autoclave and held at 220 \u00b0C for 6 h. After cooling to room temperature, the product was collected by vacuum filtration and washed with DI water.\nSAC synthesis: The as-synthesized nanoparticles (NPs) were carbonized in flowing Ar in a tube furnace using a heating rate of 2 \u00b0C min^-1 up to 800 \u00b0C, dwell time of 2 h.", + "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: 1.736 g of Ce(NO3)3\u00b76H2O (6 mmol) was dissolved in 10 mL of deionized water and then added to a solution of 19.7 g of NaOH (120 mmol) in 50 mL of deionized water. The mixed solution was stirred at room temperature for 30 min and then transferred into a Teflon-lined autoclave and maintained at 100 \u00b0C for 24 h. The precipitate was separated by centrifugation with deionized water and ethanol, and finally dried at 60 \u00b0C overnight. Then, the CeO2 support was obtained after calcination in air at 500 \u00b0C for 2 h.\nSAC synthesis: 200 mg of CeO2 was dispersed in a solution of 28.4 mL of deionized water and 0.2 mL of Na2CO3 (pH = 10). After adding 1 mL of Na2PtCl4 solution (Pt: 2 mg/mL), the mixture was stirred at room temperature for 2 h. The precipitate was separated by centrifugation with deionized water and ethanol, and finally dried at 60 \u00b0C overnight. Then, the Pt/CeO2-S catalyst was obtained after calcination in air at 500 \u00b0C for 2 h.", + "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: Cerium oxide powder support was synthesized via thermal decomposition of cerium (III) nitrate hexahydrate (Ce(NO3)2\u00b76H2O, 99.999% purity, from Sigma Aldrich) at 350 \u00b0C for 2 h.\nSAC synthesis: The 1wt.%Pt/CeO2 catalysts were prepared by incipient wetness impregnation. The CPA catalysts were prepared using chloroplatinic acid solution 8 wt.% in H2O (Sigma Aldrich) and followed the same preparation conditions described for the TAPN catalysts. Briefly, 1 g of ceria was slowly added into a 1.5 mL of chloroplatinic acid solution 8 wt.% in H2O. Then, the mixture was dried at 75 \u00b0C with stirring. After drying, the catalyst was calcined at 550 \u00b0C for 3 h in static air. Prior to characterization and kinetics experiments, the catalysts were pretreated in 5 vol.% O2 in He at 400 \u00b0C for 1 h. For electron microbalance (EM) measurements, the catalysts were prepared without treating in air and directly used for EM measurements.", + "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: 2.5 mmol of sodium nitrate (Sigma Aldrich, > 98%) was dissolved in 40 mL of distilled water. 1 g of carbon black (Ketjen Black EC-600JD) was added to the solution and the solution was heated at 90 \u2103 for 10 h while being stirred. The resulting dispersion was dried at 80 \u2103 overnight. The dried powder was then calcined at 800 \u2103 for 1 h under flowing air. The calcined powder was then washed with HCl (Sigma Aldrich, 9 M) and deionized water (MilliQ 18.2 M\u03a9 cm TOC<10ppb) until the pH of the filtrate reached 7. The obtained powder was dried at 80 \u2103 overnight and then calcined at 800 \u2103 for 1 h under flowing air. The sample was then stored in a dry oven at 80 \u2103. The sample is referred to as MoO3/C.\nSAC synthesis: 0.5 g of MoO3/C was ball milled with a ball-to-powder mass ratio of 4:1. 2.5 mmol of platinum acetylacetonate (Sigma Aldrich, 98%) was loaded into the ball mill jar. The jar was sealed and placed in a planetary ball mill (FRITSCH Pulverisette 7 Premium). The powder was ball milled twice for 30 min at a milling speed of 500 rpm. The resulting powder was collected and inserted into a quartz tube furnace pre-heated to 1000 \u2103 under flowing Ar. The furnace was held at 1000 \u2103 for 2 h and then cooled down to room temperature. The sample was then washed with pure H2O (no HCl or HNO3) until the pH of the filtrate reached 7. The resulting powder was dried at 80 \u2103 overnight and then calcined at 1000 \u2103 for 2 h under flowing Ar. The sample was then stored in a dry oven at 80 \u2103. The sample is referred to as PtSA/MoO3/C.", + "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: 0.6 g melamine, 1.5 g L-Cysteine, and 18 mg K2[PdCl4]\u00b7xH2O were first grounded into a homogeneous precursor by ZrO2 mortar ball for 2 h. 10 mL mixed solution of ethanol and hydrochloric acid (volume ratio 5:1) was added. The slurry continued to be grinded until the ethanol evaporated. The mixture was dried in an oven at 80 \u00b0C and ball milled again for 20 min. SAC synthesis: The fine powder mixture was subjected to a two-stage pyrolysis and carbonization process at the N2 atmosphere (first stage: from 25\u00b0C to 550 \u00b0C, maintain at 550 \u00b0C for 2 h, then heated to 800 \u00b0C for 120 min). The heating rate of the whole process at a rate of 2 \u00b0C/min. After cooling down to room temperature, the product was leached at 80 \u00b0C in 0.5 M H2SO4 to remove the unstable species.", + "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: CNF was prepared by the pyrolysis of self-made polyaniline following the established methods.\nSAC synthesis: In a typical experiment, 20 mg of CNF was dispersed in 10 mL of deionized water by ultrasonication for 30 min. Then, 5 \u00b5L of HPdCl4 solution (1 mol L -1 ) was added to the above suspension and stirred for 1 h. The resulting suspension was centrifuged, washed with deionized water several times, and dried at 60 \u00b0C overnight. Finally, the obtained powder was annealed at 500 \u00b0C under Ar atmosphere for 2 h.", + "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: None.\nSAC synthesis: The Pd 1 /ECN catalyst was prepared by selectively using ALD on the exfoliated carbon nitride support.", + "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: PdCl2 was purchased from Sigma-Aldrich. Dicyandiamide was purchased from Sigma-Aldrich. Formaldehyde (37% solution) was purchased from Sinopharm Chemical Reagent Co., Ltd. Graphene oxide (GO) was provided by Angxing New Carbon Material Changzhou Co., Ltd.\nSAC synthesis: 0 mg of PdCl2, 100 mg of dicyandiamide and 1 mL of formaldehyde solution were added into deionized water (50 mL). The above solution was added dropwise into 100 mL of the graphene oxide aqueous suspension (1 mg mL^-1) under vigorous stirring at 30 \u00b0C for 3 h. The remaining suspension was freeze-dried and then annealed at 900 \u00b0C in Ar for 2 h. Finally, the obtained powder was heated to 800 \u00b0C under 5% H2/Ar at a rate of 5 \u00b0C min^-1 and maintained at this temperature for 2 h. The obtained product was denoted as Pd-N-C@rGO without any post-treatment.", + "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 hydrothermal synthesis of metal incorporated BEA zeolite (Ti-BEA) was performed according to the following protocol: 30.6 g of tetraethylorthosilicate (TEOS, Sigma Aldrich, 98%) was added to 50 mL of deionized water in a 100 mL Teflon lined stainless steel autoclave under vigorous stirring. Afterwards, 0.4 mL of H2PtCl6\u00b76H2O (Sigma Aldrich, 99.95%) solution with a molar ratio of H2O/Pt = 25:1 and 0.5 mL of ethanol (C2H6O, Sigma Aldrich, 99%) were added to the above solution, respectively. Then, the autoclave was sealed and put into a preheated oven at 160 \u00b0C for 7 days. The crystals were separated by centrifugation, washed using deionized water and ethanol, and dried overnight at 60 \u00b0C in an oven. Finally, the obtained solid was calcined in static air at 550 \u00b0C for 4 h.\nSAC synthesis: The Pt/TiO2(B) catalyst was prepared via the one-pot hydrothermal method as described below. Firstly, 0.25 g of Ti-BEA was dispersed in 50 mL of deionized water. Then, 0.01 g of H2PtCl6\u00b76H2O was added to ensure a Pt loading of 0.1 wt% in the final catalyst. Afterwards, 0.5 mL of ethanol was added to the above solution, and the mixture was transferred to a preheated oven at 160 \u00b0C for 7 days. The crystals were separated by centrifugation, washed using deionized water and ethanol, and dried overnight at 60 \u00b0C in an oven. Finally, the obtained solid was calcined in static air at 550 \u00b0C for 4 h.", + "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: H2PtCl6\u00b76H2O (99.99%) was purchased from Tianjin Fengchuan and platinum bis(acetylacetonate) (98%) was purchased from J&K Scientific company.\nSAC synthesis: The Pt/MgAl2O4, Pt/Fe2O3 and Pt/ NiFe2O4 were prepared following the above method using MgAl2O4, Fe2O3 and NiFe2O4 as support. The metal precursor of Pt was varied to obtain different types of Pt-based catalysts.", + "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: 1.0 g of PdCl2 was added to a solution of 30 mL of H2O and 60 mL of ethanol, and the mixture was stirred for 30 min. Then, 1.0 g of dopamine hydrochloride was added to the solution, and the reaction was conducted at room temperature for 24 h. The resulting Pd-PDA complexes were separated by centrifugation and washed with deionized water.\nSAC synthesis: The as-obtained Pd-PDA complexes were mixed with melamine at a mass ratio of 1:5 and heated to 900 \u00b0C under Ar atmosphere in a tube furnace for 2 h at a heating rate of 5 \u00b0C/min. After cooling to room temperature, the products were collected and marked as PdSA@NC.", + "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: 100 mg of ZIF8 powder was dispersed in 10 mL n-hexane under ultrasound for 15 min at room temperature. Then, 50 \u00b5L of 0.4 m Co(NO3)2\u00b76H2O aqueous solution was added into the above solution with stirring for 6 h. After centrifugation and stoving at 80 \u00b0C for 12 h, the obtained powders were labeled as Co/ZIF.\nSAC synthesis: The pyrolyzed Co/ZIFs were denoted as Co/ZIF-X, where X corresponded to the heating temperatures.", + "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: 2-Dimethylimidazole (5.65 g) and LUDOX\u00aeAS-40 colloidal silica (1 mL) are added in deionized water (80 mL) with magnetic rabbling for 1 h at room temperature. Zn(NO3)2\u00b76H2O (0.362 g), cetyltrimethyl ammonium bromide (CTAB) (0.5 mmol), and phenanthroline (0.075 g) are dissolved in deionized water (20 mL) and then added to the 2-Dimethylimidazole solution. The mixed solution is transferred into a Teflon-lined stainless steel autoclave and heated at 140 \u00b0C for 8 h. The precipitate is separated by centrifugation, washed with ethanol, and dried at 60 \u00b0C overnight. The dried powder is then calcined at 900 \u00b0C for 2 h under an argon atmosphere.\nSAC synthesis: The FeSA -N/C catalyst is prepared similarly to the CuSA -N/C sample except that Cu(OAc)2\u00b7H2O is replaced with iron(III) acetylacetonate.", + "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: 1.5 g of chitosan was dispersed in 100 mL of ultrapure water and continued stirring for 60 min.\nSAC synthesis: Then, 0.15 mmol of CrCl3\u00b76H2O was added. After stirring for 3h, the mixture solution was completely dried at 60 \u00b0C and ground to a powder. Pyrolysis carbonization of powder at 750 \u00b0C for 4h with a ramp of 5 \u00b0C/min under high purity argon atmosphere. The final product was named as Cr-N/BP.", + "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: 0.2 g glucose, 2 g dicyandiamide, and the same moles of Chlorophyllin sodium copper were dispersed in 150 mL deionized water and stirred for 12 h to get a homogeneous solution.\nSAC synthesis: The solution was quickly frozen by liquid nitrogen and freeze-dried in a freeze dryer with vacuum. Afterward, the resultant powders were pyrolyzed at 550 \u00b0C for 2 h and 800 \u00b0C for 2 h under a flowing Ar atmosphere. The as-obtained product was denoted as Cr@N/C.", + "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: 15.9 mg of Co(NO3)2\u00b76H2O and 47.6 mg of PM were dissolved in 40 mL of H2O to form solution A. 100 mg of CNTs was dispersed in 40 mL of H2O to form solution B. Solution A was then transferred dropwise into solution B. The mixed solution was then vigorously stirred at room temperature for 24 h. The obtained precursor was centrifuged and dried at 60 \u00b0C overnight.\nSAC synthesis: The precursor was then transferred into a ceramic crucible and placed in an argon-filled tube furnace. The powder was heated from room temperature to 900 \u00b0C with a heating rate of 5 \u00b0C min -1 and further annealed at 900 \u00b0C for 3 h under an argon atmosphere with a flow rate of 50 mL min -1. Acid leaching of the powder was performed by dispersing it in 25 mL of 0.5 M H2SO4 and then stirring for 8 h at 80 \u00b0C. The product was collected by vacuum filtration and dried in an oven at 60 \u00b0C overnight. The dried product was then transferred into a ceramic crucible and placed in an argon-filled tube furnace for subsequent pyrolysis with the same conditions as mentioned above. The final product of Co SA/NCNTs was collected and dried.", + "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: 15.9 mg of FeCl2\u00b74H2O and 47.6 mg of PM were dissolved in 40 mL of H2O to form solution A. 126.5 mg of gelatin, 300 mg of SiO2, and 0.86 mL of Milli-Q water were added into 40 mL of H2O to form solution B. Solution A was then dropped into solution B. The mixed solution was then transferred into a 100 mL Teflon-lined stainless-steel autoclave and kept at 180 \u00b0C for 12 h. After cooling down to room temperature, the product was collected by centrifugation and washed three times with Milli-Q water. Finally, the resulting products were obtained after freeze-drying.\nSAC synthesis: The FeSA -CN/SiO2 powder was then annealed under N2 atmosphere at 900 \u00b0C for 2 h. The resulting samples were then etched with 3 M NH4HF2 for 24 h to remove SiO2. After filtration, copiously washing with Milli-Q water, and drying, the final product was obtained.", + "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: In a typical procedure, 3.00 g (10.0 mmol) Zn(NO3)2\u00b76H2O was dissolved in 250 mL of deionized water to form a solution, which was subsequently added into 250 mL of deionized water containing 18.0 g (40.0 mmol) 2-methylimidazole under ultrasound for 15 min. Then, the mixed solution was stirred at room temperature for 12 h. The obtained precipitate was centrifuged and washed with deionized water for three times and dried in vacuum at 60 \u00b0C overnight.\nSAC synthesis: In a normal procedure, the powder of ZIF-8 was placed in a tube furnace and then heated to 900 \u00b0C for 2 h at the heating rate of 5 \u00b0C/min under flowing argon gas and then naturally cooled down to room temperature to obtain NC. Subsequently, the powder of NC was dispersed in 10 mL of hexane by sonication for 5 min, followed by adding 150 \u03bcL of nickel chloride hexahydrate solution (10 mg/mL) under ultrasound for 5 min. After that, the mixture solution was stirred at room temperature for 24 h. Then the sample was centrifuged and dried in vacuum at 60 \u00b0C overnight. Finally, the sample was heated at 900 \u00b0C for 2h at the heating rate of 5 \u00b0C/min under flowing argon gas. After cooling down to room temperature, the powder of Ni-NC was obtained.", + "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: Medium temperature coal tar pitch (C 92.2 wt%, H 4.6 wt%, N 1.1 wt%, O 2.1 wt% (by difference)) was supplied by Maanshan Iron & Steel Co., Ltd. Nickel (II) Chloride Hexahydrate (NiCl2\u00b76H2O), urea, sodium chloride (NaCl), ethanol absolute, nitric acid, Nafion solution (5.0 wt%), Nafion\u00ae 117 membranes, and deionized water were obtained from Sinopharm Chemical Reagent Co., Ltd., Sigma-Aldrich, and Hefei Jingchun Water Sales Co., Ltd., respectively.\nSAC synthesis: Ni/Ni-N-C-800 sample was prepared by the same synthesis route as that for NiO/Ni-N-C-800, except without nitric acid leaching and oxidation.", + "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: 0.5 g of cetyltrimethylammonium bromide (CTAB) was dissolved in 70 mL of a mixed solvent of water and methanol (1:1 by volume) in a thermostatic water bath at 30 \u00b0C. 5 mL of Co(CH3COO)2\u00b74H2O (0.3 M/L) aqueous solution was added to the above solution. After stirring for 30 min, a mixed solution containing 10 mL of 2-methylimidazole solution (1.2 M/L) and a certain amount of triethylamine (TEA) was added to the above solution and kept stirring for 4 h. The product was collected via centrifugation, washed with ethanol, and dried in a vacuum oven at 60 \u00b0C overnight.\nSAC synthesis: The mixture powder of ZnCo-ZIF-2.5 was placed in a tube furnace and then heated to 950 \u00b0C for 3 h at a ramp rate of 5 \u00b0C/min under flowing Ar gas and then naturally cooled to room temperature. Then it was further increased to 980 \u00b0C at a ramp rate of 5 \u00b0C/min and maintained at this temperature for 1 h. The obtained sample was soaked in 2 M HCl aqueous solution for about 12 h at 80 \u00b0C. After centrifugation, washing with water, and drying in a vacuum oven at 60 \u00b0C overnight, the final product was achieved and denoted as CoSA@NC.", + "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: 0.6 g melamine, 1.5 g L-Cysteine, and 15 mg copper chloride dihydrate were first grounded into a homogeneous precursor by ZrO2 mortar ball for 2 h. 10 mL mixed solution of ethanol and hydrochloric acid (volume ratio 5:1) was added. The slurry continued to be grinded until the ethanol evaporated. The mixture was dried in an oven at 80 \u00b0C and ball milled again for 20 min. SAC synthesis: The fine powder mixture was subjected to a two-stage pyrolysis and carbonization process at the N2 atmosphere (first stage: from 25\u00b0C to 550 \u00b0C, maintain at 550 \u00b0C for 2 h, then heated to 800 \u00b0C for 120 min). The heating rate of the whole process at a rate of 2 \u00b0C/min. After cooling down to room temperature, the product was leached at 80 \u00b0C in 0.5 M H2SO4 to remove the unstable species.", + "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: 2.0 g of 2-methylimidazole and 200 mg phenanthroline (Phen) were dissolved in 40 mL methanol to form a clear solution at 60 \u2103 in a reflux system. 60 mg of iron nitrate nonahydrate (Fe(NO3)3\u00b79H2O) and 1.8 g zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O) were dissolved in 10 mL methanol to form a transparent solution. The two solutions were mixed and stirred for 24 h at room temperature. The precipitate was collected by centrifugation, washed with methanol several times, and dried overnight in a vacuum oven at 60 \u2103 to obtain the Fe-ZIF-8/Phen precursor.\nSAC synthesis: The as-obtained powder of Fe-ZIF-8/Phen precursors was loaded into a ceramic boat and placed in a tube furnace. The sample was heated to 950 \u2103 with a heating rate of 5 \u2103 min -1 and kept at 950 \u2103 for 3 h under flowing argon gas. The obtained black powder was named Fe-N-C/Phen.", + "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: In a typical procedure, 1.5 g of ammonium vanadate and 3.0 g of oxalic acid were dispersed in 20 mL of distilled water under continuous stirring for 5 h. Then, the solution was dried by a rotary evaporator and the obtained powder was calcined twice at 300 \u00b0C for 4 h in air with a ramping rate of 2 \u00baC min -1 to obtain yellow-colored V2O5.\nSAC synthesis: The synthetic scheme of Rh/VO2 is similar to that of Co/VO2 except for the replacement of cobalt nitrate hexahydrate with rhodium chloride trihydrate.", + "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 mmol of HAuCl4\u00b73H2O was dissolved in 30 mL of oleylamine under ultrasound for 5 min to form a transparent solution. Then, 30 mg of VO2 powder was added into the above solution and magnetically stirred at room temperature for 6 h. After that, the mixture was collected by centrifugation and further purified by ethanol for three times before being dried under vacuum at 80 \u00b0C for 12 h.\nSAC synthesis: Finally, the obtained powder was calcined at 300 \u00b0C for 2 h under air atmosphere to obtain Au/VO2 sample.", + "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, 1.5 g of ammonium vanadate and 3.0 g of oxalic acid were dispersed in 20 mL of distilled water under continuous stirring for 5 h. Then, the solution was dried by a rotary evaporator and the obtained powder was calcined twice at 300 \u00b0C for 4 h in air with a ramping rate of 2 \u00baC min -1 to obtain yellow-colored V2O5.\nSAC synthesis: The synthetic scheme of Ag/VO2 is similar to that of Au/VO2. A certain amount of silver nitrate (AgNO3) was added to a dispersion of V2O5. The mixture was then irradiated by a high-pressure mercury lamp until the suspension turned colorless. The solid product was filtered and washed three times with 10 mL of distilled water and once with ethanol. Finally, the sample was dried overnight at 60 \u00baC before being used for further characterization or catalytic reactions.", + "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 ammonium vanadate and 3.0 g of oxalic acid were dispersed in 20 ml of distilled water under continuous stirring for 5 h. Then, the solution was dried by a rotary evaporator and the obtained powder was calcined at 450 oC for 4 h. Finally, V2O5\u00b7xH2O was obtained as a yellow powder.\nSAC synthesis: The synthetic scheme of Cu-V2O5 is similar to that of Co-V2O5 except for the addition of copper nitrate trihydrate.", + "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 procedure, 1.5 g of ammonium vanadate and 3.0 g of oxalic acid were dispersed in 20 mL of distilled water under continuous stirring for 5 h. Then, the solution was dried by a rotary evaporator and the obtained powder was calcined at 400 \u00b0C for 2 h in air to obtain yellow-colored V2O5.\nSAC synthesis: The synthetic scheme of Co-SA/VO2 is similar to that of Co-SA/V2O4. A certain amount of Co(NO3)2\u00b76H2O (0.8 mg) was added into the V2O5 aqueous solution during the hydrothermal process. The mixture was then treated with ultrasound for 5 min and finally dried at 70 \u2103 for 12 h.", + "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: Rhodium chloride (RhCl3\u00b7xH2O) was purchased from Beijing Yinuokai Technology Co., Ltd. An active carbon (NORIT ROX 0.8) was purchased from Beijing Bailingwei Technology Co., Ltd.\nSAC synthesis: The Rh1/AC catalyst was prepared by a wet impregnation method. In detail, 100 mg of active carbon was slowly added in 3.9 mL of RhCl3 aqueous solution with a concentration of 3.7 mg mL-1 under agitated stirring for 30 min. Then, the mixture was dried at 80 \u00b0C and calcined at 500 \u00b0C for 2 h in air. Finally, the Rh1/AC sample was reduced at 400 \u00b0C for 2 h under 5% H2/Ar atmosphere to obtain the final catalyst.", + "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: 1.5 g of vanadium nitrate hexahydrate was dissolved in 40 mL of ethanol and stirred for 30 min. 2.5 g of carbon black powder (Ketjen Black ECP60JD-BJ) was added to the solution, and the resulting mixture was ultrasonicated for 30 min. The resulting suspension liquid was then dried at 80 \u00b0C for 12 h. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. 0.2 g of the above powder was added to 20 mL of 9 M nitric acid solution and refluxed at 90 \u00b0C for 12 h. After filtration, copiously washing with deionized water, and drying overnight at 80 \u00b0C, the oxidized carbon black powder (CB(NO)) was achieved.\nSAC synthesis: 1.0 g CB(NO) powder was added into 20 mL of 9 M H2SO4 solution and sonicated for 30 min. 0.2 g of FeCl3\u00b76H2O was added to the solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M HCl solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M H2SO4 solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M HCl solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M H2SO4 solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M HCl solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M H2SO4 solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M HCl solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M H2SO4 solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M HCl solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M H2SO4 solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M HCl solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M H2SO4 solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M HCl solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M H2SO4 solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M HCl solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M H2SO4 solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M HCl solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M H2SO4 solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M HCl solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M H2SO4 solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M HCl solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M H2SO4 solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 400 \u00b0C for 2 h under a nitrogen gas flow. The powder was added to 20 mL of 9 M HCl solution and stirred for 12 h. The resulting suspension liquid was then filtered and copiously washed with deionized water. The obtained powder was calcined at 4", + "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: Nickel chloride hexahydrate (NiCl2\u00b76H2O), Vanadium chloride (VOCl4), Ammonium bifluoride (NH4HF2), Potassium hydroxide (KOH), Sulfuric acid (H2SO4).\nSAC synthesis: In a typical synthesis of NiSA-VO2/C, 0.5 mL of NH4HF2 solution was dropped into 40 mL of a mixed solution of ethanol and water (v/v=1:1) under stirring for 30 min. After that, 0.5 mmol of NiCl2\u00b76H2O and 0.35 mmol of VOCl4 were added to the above solution. The solution was transferred into Teflon-lined autoclave and kept at 180 \u00b0C for 12 h. After cooling down naturally, the precipitate was collected by centrifugation and washed with deionized water and ethanol for several times. Then, the sample was dried at 60 \u00b0C in a vacuum oven and finally calcined in a tube furnace at 500 \u00b0C for 2 h under Ar atmosphere.", + "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: Jiao et al. prepared ZIF-8 with a 3D nitrogen-doped carbon matrix (NC) and Sb atoms.\nSAC synthesis: Jiao et al. prepared ZIF-8 with a 3D nitrogen-doped carbon matrix (NC) and Sb atoms. After calcination, the Sb single atoms were anchored on the NC substrate.", + "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: Guanine was pyrolyzed in a tube furnace at 600\u00b0C for 1.5 h (Ar flow, 100 sccm). The obtained black powder was labeled as N-doped carbon (NC).\nSAC synthesis: Prepared by the impregnation-vacuum pyrolysis method, using 0.035 mol/L chlorophyllin sodium copper as the precursor and NC as the support. The material was then calcined in a tube furnace at 600\u00b0C for 2 h under Ar flow (100 sccm). Finally, the powder was reduced in 5% H2/N2 stream at 400\u00b0C for 2 h.", + "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: Guanine was pyrolyzed in a tube furnace at 600\u00b0C for 1.5 h (Ar flow, 100 sccm). The obtained black powder was labeled as N-doped carbon (NC).\nSAC synthesis: Prepared by the impregnation-vacuum pyrolysis method, using 0.035 mol/L chlorosnific acid solution and NC substrate.", + "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: 0.1 g of ZIF-8 is added to 10 mL of 0.01 M Ni(NO3)2\u00b76H2O solution and stirred for 12 h at room temperature.\nSAC synthesis: The mixture is then dried at 80 \u00b0C for 12 h. The dried product is calcined at 900 \u00b0C for 2 h under an Ar atmosphere with a heating rate of 5 \u00b0C min\u22121.", + "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: 1,10-phenanthroline, NiCl2\u00b76H2O\nSAC synthesis: For the preparation of Ni-SACs using 1,10-phenanthroline and NiCl2\u00b76H2O as precursors, the procedures were similar to those for Co-SACs except that 0.04 M NiCl2\u00b76H2O was used instead of 0.02 M Co(NO3)2\u00b76H2O.", + "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: 40 ml methanol solution containing 3.25 g 2-methylimidazole was quickly added into another 20 ml methanol solution with 1.5 g Zn(NO3)2\u00b76H2O and 14.95 mg Ni(NO3)2\u00b76H2O under stirring. The mixed solution was then stirred for 24 hours at room temperature. The obtained precursor was centrifuged and washed with ethanol three times and finally dried at 60 \u00b0C under vacuum for overnight. SAC synthesis: The precursor was heated to 900 \u00b0C in an argon atmosphere for 2 hours and cooled down to room temperature. Then the product was purified by 0.5 hydrochloric acid at 80 \u00b0C for 12 hours to remove unstable species. Finally, the Ni-N4/NC sample was obtained after washing with deionized water several times and drying under vacuum overnight.", + "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: 40 ml methanol solution containing 3.25 g 2-methylimidazole was quickly added into another 20 ml methanol solution with 1.5 g Zn(NO3)2\u00b76H2O and 14.95 mg Ni(NO3)2\u00b76H2O under stirring. The mixed solution was then stirred for 24 hours at room temperature. The obtained precursor was centrifuged and washed with ethanol three times and finally dried at 60 \u00b0C under vacuum for overnight. SAC synthesis: The precursor was heated to 900 \u00b0C in an argon atmosphere for 2 hours and cooled down to room temperature. Then the product was purified by 0.5 hydrochloric acid at 80 \u00b0C for 12 hours to remove unstable species. Finally, the Ni-N4/NC sample was obtained after washing with deionized water several times and drying under vacuum overnight.", + "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: 2-Dimethylimidazole (5.65 g) and LUDOX\u00aeAS-40 colloidal silica (1 mL) are added in deionized water (80 mL) with magnetic rabbling for 1 h at room temperature. Zn(NO3)2\u00b76H2O (0.362 g), cetyltrimethyl ammonium bromide (CTAB) (0.5 mmol), and dopamine hydrochloride (DA) (0.5 mmol) are added into the above solution, and the mixture is rabbled for another 1 h. The samples are obtained via separation and washing a few times using deionized water to remove the residual reactants to obtain ZIF-8 nanocrystals. The obtained ZIF-8 nanocrystals are carbonized in an argon atmosphere under 900 \u00b0C for 2 h followed by aqueous HF (10 wt%) leaching for 4 h then dried at 70 \u00b0C. Hydrofluoric acid (HF) (20 wt%) is used to etch the oxides in the samples. Finally, the samples are pyrolyzed in Ar at 900 \u00b0C for 2 h.\nSAC synthesis: Nitrogen-doped porous carbon (NPC) is prepared without adding iron precursors. ZIF-8 nanocrystals are dispersed in iron(III) chloride hexahydrate aqueous solution, which are then pyrolyzed to get Fe-N-C.", + "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: 0.2 g carbon black powder was mixed with water (90 ml) in a conical flask under strong sonication for 30 min to form suspension A. Aqueous ammonia solution (30 wt%, 2 ml) and ethanol (99.5%, 40 ml) were successively added into suspension A while stirring. Subsequently, 10 ml of a solution containing dopamine hydrochloride (0.5 g) and NiNO3\u00b76H2O (10 mg) was added dropwise into the above mixture followed by sealing the flask. The mixture was stirred under ambient conditions overnight. A precipitate was obtained after washing with acetone followed by centrifugation at 18000 rpm for 3 times and drying under a N2 atmosphere at 60 \u00b0C for 3 h.\nSAC synthesis: The dried precipitate was then mixed by grinding with dicyandiamide in a 1:10 weight ratio. Next, the ground powder was loaded into a ceramic boat and transferred into a temperature-programmed furnace under an Ar flow. The pyrolysis program is: (1) heating to 800 \u00b0C from room temperature with a 5 \u00b0C/min ramp rate; (2) maintaining at 800 \u00b0C for 2 h; (3) cooling down naturally to room temperature. The resultant NiNCB was obtained after twice centrifuging with the mixture of water and acetone and drying under vacuum at room temperature.", + "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: The synthesis of ZIF-8 was based on a previous report with modifications. Specifically, 3.6 mmol of Zn(NO3)2\u00b76H2O and 0.4 mmol of 2-methylimidazole were dissolved in 40 mL of methanol, respectively. Then the two solutions were mixed and stirred for 1 h at room temperature. Finally, the white precipitates were obtained by centrifugation (8000 rpm), washed three times with methanol, and dried at 60 \u00b0C for 5 h.\n\nSAC synthesis: In a typical procedure, as-synthesized ZIF-8 powders were first dispersed in 20 mL of methanol. Afterwards, 0.2 mmol of NaCl and 0.05 mmol of Co(NO3)2\u00b76H2O were added into the above solution and stirred for 1 h. Then, 10 mL of methanol containing 0.96 mmol of 2-methylimidazole was further injected into the above mixture and stirred for another 24 h at room temperature. Next, the obtained samples were collected by centrifugation, thoroughly washed with methanol, and dried at 60 \u00b0C for 5 h. Finally, the dried powder was heated to 900 \u00b0C under N2 within 30 min and maintained at this temperature for 2 h. In addition, the as-prepared sample was further diluted HCl to remove metal particles and then washed with deionized water several times until pH reached 7. Finally, the sample was dried at 60 \u00b0C overnight to obtain Co-N/SAs@NC.", + "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": "Precursor synthesis: 100 mg of ZIF8 powder was dispersed in 10 mL n-hexane under ultrasound for 15 min at room temperature. Then, 50 \u00b5L of 0.4 m Co(NO3)2\u00b76H2O aqueous solution was added into the above solution with stirring for 6 h. After centrifugation and stoving at 80 \u00b0C for 5 h, the obtained powders were labeled as Co/ZIF. SAC synthesis: The pyrolyzed Co/ZIFs were denoted as Co/ZIF-X, where X corresponded to the heat treatment temperatures.", + "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: 20 mg of CNT and 5 mg of CoPc were dispersed into 20 mL of DMF. The mixture was ultrasonicated for 1 hour to ensure a uniform dispersion.\nSAC synthesis: A flow of N2 gas was used to fill the void in the carbon nanotube. 20 mg of CNT, 5 mg of CoPc, and 0.3 mL of N2 were added to 20 mL of DMF. The mixture was sonicated for 1 hour and stirred for 24 hours at room temperature. The resulting powder was collected by centrifugation and dried at 80\u00b0C for 12 hours. The powder was then calcined at 900\u00b0C for 2 hours under an Ar atmosphere.", + "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: Lignin-metal complexes were prepared simply by dissolving lignin and the metal ions in deionized water.\nSAC synthesis: 1 g of lignin, 3 mmol of iron nitrate nonahydrate were dissolved in 100 mL of high purity deionized water. The solution was stirred for an hour and aged for one day. The compound was separated by vacuum filtration and dried at 80 \u00b0C overnight. The as-prepared precursor was mixed with 5 times weight of dicyandiamide and pulverized by pestle and mortar. After homogeneously mixing, powder was pyrolyzed at 550 \u00b0C for an hour and continuously at 1000 \u00b0C for an hour under N2 atmosphere with the flow rate of 120 mL/min. The obtained catalyst was further pulverized for preparation of homogeneous catalyst ink.", + "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: Zn(NO3)2\u00b76H2O (5.58 g) and C10H14FeN8 (7.707 g) were dissolved in 150 mL methanol and stirred evenly (solution A). 2-Methylimidazole (6.16 g) was dissolved in another 150 mL methanol and stirred well (solution B). Solution B was poured into solution A with stirring at room temperature for 24 h. Centrifugation was performed until the supernatant was clear, and then the precursor ZnFe-ZIF-8 was dried at 60 \u00b0C in a vacuum oven for 6 h.\nSAC synthesis: 0.5 g ZnFe-ZIF-8 was dissolved in 100 mL N,N-dimethylformamide solution (solution E). Meso-tetrakis(4-chlorophenyl) porphyrin-iron(III) chloride was dissolved in 100 mL N,N-dimethylformamide solution (solution F). Solution F was poured into solution E with stirring at room temperature for 24 h, centrifuged until the supernatant was clarified. The ZnFe-ZIF-8@Fe-TPPCl was dried at 60 \u00b0C for at least 6 h. N-doped porous carbon (CN) was obtained by calcination at 920 \u00b0C for 2 h in N2 atmosphere. To obtain the final product FeSA-CN@Fe-NSC, the prepared CN was first mixed with equimass Fe-TPPCl, then pyrolyzed at 920 \u00b0C for 2 h under N2 atmosphere.", + "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: ZrCl4 (1.2 mmol), K2CO3 (1.5 mmol), and urea (10 mmol) were dissolved in 50 mL of methanol with 50 mL of ethanol. Ni(NO3)2\u00b76H2O (0.2 mmol) was dissolved in 50 mL of methanol. Solution B was added to solution A and stirred for 1 h at room temperature. The mixed solution was transferred into a 100 mL Teflon-lined autoclave and heated at 120\u00b0C for 24 h. The obtained precipitate was separated by centrifugation, washed with methanol, and dried at 70\u00b0C. The ZrNi-MOFs sample was obtained after calcination at 350\u00b0C under an air atmosphere for 2 h.\nSAC synthesis: ZrNi-MOFs was reduced in a tube furnace in 5% H2/Ar atmosphere at 400\u00b0C for 1 h to obtain Ni/ZrO2@C.", + "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: 2.0 g of 2-methylimidazole and 200 mg phenanthroline (Phen) were dissolved in 40 mL methanol to form a clear solution at 60 \u2103 in a reflux system. 60 mg of iron nitrate nonahydrate (Fe(NO3)3\u00b79H2O) and 1.8 g zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O) were dissolved in 10 mL methanol to form a transparent solution. The two solutions were mixed and stirred for 24 h at room temperature. The precipitate was collected by centrifugation, washed with methanol several times, and dried overnight in a vacuum oven at 60 \u2103 to obtain the Fe-ZIF-8/Phen precursor.\nSAC synthesis: The as-obtained powder of Fe-ZIF-8/Phen precursors was loaded into a ceramic boat and placed in a tube furnace. The sample was heated to 950 \u2103 with a heating rate of 5 \u2103 min -1 and kept at 950 \u2103 for 3 h under flowing argon gas. The obtained black powder was named Fe-N-C/Phen.", + "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: CSs were prepared by the hydrothermal method according to the previous report. [15]\nSAC synthesis: CSs were subjected to KOH activation under Ar atmosphere at 90 \u00b0C for 2 h (gas flow rate: 50 SCCM, heating rate: 5 \u00b0C min -1 ). The weight ratio between KOH and nanosized carbonaceous spheres was 0.5. The products labeled as activated CNS were then collected after washing with Milli-Q water, and drying at 60 \u00b0C in a vacuum oven.\n20 mL of 0.05 m RhCl3 solution was added into 20 mL of 2.5 mg mL -1 activated CNS suspension under ultrasonic condition. The mixture was then vigorously stirred for another 12 h before being freeze-dried at -80 \u00b0C. A black powder was obtained after the pyrolysis process (the weight ratio between RhCl3 and activated CNS was 1:10). The final product was designated as Rh-NSCNS.", + "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: 1.0 g of iron nitrate nonahydrate was dissolved in 30 mL of water and stirred for 20 min at room temperature. 1.0 g of polyvinylpyrrolidone K30 was added to the above solution and stirred for 24 h at room temperature to form a homogeneous solvent. The resulting homogeneous solvent was dried using lyophilization, obtaining an Fe-containing polyvinylpyrrolidone K30/water mixture.\nSAC synthesis: 0.5 g of as-prepared Fe-containing polyvinylpyrrolidone K30/water mixture was heated at 90 \u00b0C for 6 h under continuous stirring. The resulting powder was heated at 800 \u00b0C for 3 h under continuous stirring in a tube furnace under Ar atmosphere. The final product labeled as SA-Fe@NCS was collected.", + "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: 0.5 mL of aniline, 0.75 mL of polyvinylpyrrolidone (PVP), and 0.25 mL of hydrochloric acid (HCl, 12 M) were mixed in a three-necked bottle and stirred for 30 min at room temperature. 0.5 mmol of ammonium persulfate (APS) was added dropwise to the above solution under vigorous stirring at ice bath until the mixture changed into green. The mixture was transferred into room temperature and stirred for 24 h. The resulting polyaniline was thoroughly washed with deionized water, dried in static air at 60 \u00b0C for 12 h, and pre-treated in HCl at 12 M for 12 h.\nSAC synthesis: The pre-treated polyaniline was carbonized at 900 \u00b0C for 2 h under Ar atmosphere with a heating rate of 5 \u00b0C min^-1. The obtained carbon matrix was leached in 5 wt% HCl at 80 \u00b0C for 24 h and further treated in HCl at 12 M for 24 h. The acid-washed carbon matrix was then thermally treated at 900 \u00b0C for 2 h under Ar atmosphere with a heating rate of 5 \u00b0C min^-1. The final product of FeSA-CS was collected.", + "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: 1.0 g of chitosan was dispersed in 100 ml of deionized water and continued stirring for 60 min.\nSAC synthesis: Then, 0.15 mmol of RhCl3 was added and stirred continuously for 12 hours at room temperature. The samples were obtained via centrifugation and dried at 60 \u00b0C for further use. The obtained powder sample was placed in a quartz tube furnace and annealed at 800 \u00b0C for 4 hours with a heating rate of 5 \u00b0C/min under flowing argon gas. The final product was collected and marked as Rh-NCS.", + "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, 2-methylimidazole (1.68 g, 20 mmol) was dissolved in methanol solution (20 mL). Subsequently, an aqueous solution of Zn(NO3)2\u00b76H2O (1.19 g, 4 mmol) was added dropwise to the above solution under vigorous stirring for 1 h at room temperature. After that, the obtained precipitate was centrifuged and washed with methanol three times and dried in vacuum at 60 \u00b0C overnight. The above synthesized powder was used as the precursor of ZIF-8. Then, the ZIF-8 powder was placed in a tube furnace and heated to 950 \u00b0C for 2 h at a rate of 5 \u00b0C/min under flowing argon gas. Finally, the powder was etched by a HCl solution (1 M) and stirred at 80 \u00b0C for 12 h to remove unstable species. After that, the obtained precipitate was centrifuged and washed with methanol three times and dried in vacuum at 60 \u00b0C overnight. NC sample can be obtained after drying process.\nSAC synthesis: The synthesis of Cu-SA/NC is similar to Cu-SA/NOC except without adding pretreated GO solution.", + "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: First, 0.1 g of silver nitrate was added in 30 mL of ethanol and stirred for 20 min at room temperature. After that, 0.5 g of carbon black (Ketjen Black) was added to the solution, followed by ultrasonic dispersion for 30 min. Then, the resulting mixture was dried at 80 \u00b0C under magnetic stirring. Finally, the resulting powder was annealed at 600 \u00b0C under a flow of Ar gas for 2 h with a heating rate of 5 \u00b0C/min.\nSAC synthesis: The Ag SACs were prepared through a simple melt-diffusion method as shown in previous literature. In brief, first, 0.1 g of silver nitrate was added in 30 mL of ethanol and stirred for 20 min at room temperature. After that, 0.5 g of carbon black (Ketjen Black) was added to the solution, followed by ultrasonic dispersion for 30 min. Then, the resulting mixture was dried at 80 \u00b0C under magnetic stirring. Finally, the resulting powder was annealed at 600 \u00b0C under a flow of Ar gas for 2 h with a heating rate of 5 \u00b0C/min.", + "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: 1.08 g of anhydrous manganese acetate and 0.39 g of nickel acetate were dissolved in 60 mL of DMF. 0.674 g of sodium benzoate was added under vigorous stirring for 12 hours. 1.83 g of terephthalic acid was added for another 1 hour of vigorous stirring. The solution was transferred into a 100 mL Teflon-lined autoclave at 180 \u00b0C for 10 hours. After cooling to room temperature, the product was separated by centrifugation, washed three times with DMF and ethanol, and dried overnight under vacuum at 60 \u00b0C.\nSAC synthesis: The Mn, Ni-MOFs precursor was carbonized in a tubular furnace at 900 \u00b0C. After sulfuric acid leaching, the final product of Co-N4-O/C-900 was obtained.", + "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: 0.2 g glucose, 2 g dicyandiamide, and the same moles of Iron chloride hexahydrate (FeCl3\u00b76H2O) as Cobalt chloride hexahydrate (CoCl2\u00b76H2O) were dispersed in 70 mL deionized water and stirred for 12 h to get a homogeneous solution.\nSAC synthesis: The solution was quickly frozen by liquid nitrogen and freeze-dried in a freeze dryer with vacuum. Afterward, the resultant powders were pyrolyzed at 550 \u00b0C for 2 h and 800 \u00b0C for 2 h under a flowing Ar atmosphere. The as-obtained product was denoted as Fe SAs/AC@NG.", + "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: 6.0 g melamine, 1.5 g L-Cysteine, and 15 mg WCl6 were first grounded into a homogeneous precursor by ZrO2 mortar ball for 2 h. 10 mL mixed solution of ethanol and hydrochloric acid (volume ratio 5:1) was added. The slurry continued to be grinded until the ethanol evaporated. The mixture was dried in an oven at 80 \u00b0C and ball milled again for 20 min. SAC synthesis: The fine powder mixture was subjected to a two-stage pyrolysis and carbonization process at the N2 atmosphere (first stage: from 25\u00b0C to 550 \u00b0C, maintain at 550 \u00b0C for 2 h, then heated to 800 \u00b0C for 120 min). The heating rate of the whole process at a rate of 2 \u00b0C/min. After cooling down to room temperature, the product was leached at 80 \u00b0C in 0.5 M H2SO4 to remove the unstable species.", + "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: Zn(NO3)2\u00b76H2O (5.58 g), C10H14InO4 (7.707 g), and MnSO4\u00b7H2O (0.566 g) were dissolved in 150 mL methanol as solution A. 2-Methylimidazole (6.16 g) was dissolved in another 150 mL methanol as solution B. Solution B was added to solution A drop by drop. The mixed solution was stirred for 24 h, centrifuged, washed with methanol, and dried at 60 \u2103 for 5 h.\nSAC synthesis: The InMn-ZIF/Mn precursor was heated at 920 \u2103 for 2 h under N2 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 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: Zn(NO3)2\u00b76H2O (1.069 g) was dissolved in N, N-Dimethylformamide (DMF) and methanol solution. A certain amount of 2-methylimidazole (1.161 g) was dissolved in DMF. Here the molar ratio of metal to ligand is 1:4. Solution B was added to solution A and stirred for 24 h at room temperature. The precipitate was collected by centrifugation, followed by washing with methanol and then drying under vacuum at 70 \u00b0C.\nSAC synthesis: SnNP/Sn-N/O-C, Sn-N/O-C, and N/O-C catalysts were prepared by one-step pyrolysis of NH2-MOF-Zn-Sn (NH2-BDC/Melamine=7:1), NH2-MOF-Zn-Sn & Melamine-Zn (NH2-BDC/Melamine=2:1), and NH2-MOF-Zn & Melamine-Zn at 1000 \u00b0C under Ar atmosphere for 3 h, respectively.", + "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: 6.0 mmol Ni(NO3)2\u00b76H2O, 0.4 mmol FeCl3 were dissolved in a mixture solution of 25 mL H2O and 25 mL ethanol. 15 mmol 2-phenylethylamine was added to the above solution. The mixture was stirred for 10 min at room temperature. The mixture was heated at 80 \u00b0C for 4 h. The precipitate was collected by centrifugation, washed with ethanol, and dried at 70 \u00b0C overnight.\nSAC synthesis: 2.0 mmol Ni(NO3)2\u00b76H2O, 2.0 mmol Fe(NO3)3\u00b79H2O, 2.0 mmol Zn(NO3)2\u00b76H2O, 2.0 mmol Ir(NO3)3\u00b7xH2O, 2.0 mmol PPh3, 2.0 mmol CTAB were dissolved in a mixture solution of 25 mL H2O and 25 mL ethanol. 25 mmol 2-methylimidazole was added to the above solution. The mixture was stirred for 10 min at room temperature. The mixture was heated at 80 \u00b0C for 4 h. The precipitate was collected by centrifugation, washed with ethanol, and dried at 70 \u00b0C overnight. Finally, the IrNiFeZnIr-ZIF/PPh3 powder was calcined at 950 \u00b0C for 2 h under flowing argon gas.", + "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: 40 ml methanol solution containing 3.25 g 2-methylimidazole was quickly added into another 20 ml methanol solution with 1.5 g Zn(NO3)2\u00b76H2O and 14.95 mg Ni(NO3)2\u00b76H2O under stirring. The mixed solution was then stirred for 24 hours at room temperature. The obtained precursor was centrifuged and washed with ethanol three times and finally dried at 60 \u00b0C under vacuum for overnight. SAC synthesis: The precursor was heated to 900 \u00b0C in an argon atmosphere for 2 hours and cooled down to room temperature. Then the product was purified by 0.5 hydrochloric acid at 80 \u00b0C for 12 hours to remove unstable species.", + "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: Silver nitrate (AgNO3)\nSAC synthesis: The biological materials WRC, PTC, SWC, and DFC are chosen as the source of porous biological materials. Exampled by WRC, WRC are preprocessed in the deionized water firstly. Then, the pre-prepared WRC are impregnated in the AgNO3 aqueous solution with different concentrations (such as 0.04 mol/L, 0.06 mol/L, 0.08 mol/L, 0.10 mol/L and 0.12 mol/L) in brown reagent bottle. To maintain the morphological integrity of the biological materials, the impregnated WRC are further transferred to the vacuum freeze dryer for 72 h at -60 \u00b0C, and then the Ag@WRC catalyst precursor is obtained. Furthermore, the precursor is annealed at different temperatures (400 \u00b0C, 500 \u00b0C, 600 \u00b0C, 700 \u00b0C and 800 \u00b0C) at Ar atmosphere for 2 h with the rate of 2 \u00b0C/min. The Ag@NC samples are obtained and further optimized according to the HER activity.", + "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: 40 mL of ethanol and 20 mL of water were stirred for 2 min at 25 \u2103. 2.5 mL of ammonia was added to the mixed solution and stirred for 10 min. 1 mL of TEOS was added into the mixture and reacted for 4 h under Ar atmosphere. The SiO2 nanospheres were obtained by centrifugation, washed with H2O and ethanol three times, and dried in a vacuum oven at 60 \u2103 overnight. The as-obtained SiO2 nanospheres with diameters of about 220 nm were dispersed in 10 mL of H2O. 3 mL of hydroxypropyl cellulose (10 mg/mL) was added to the dispersion and stirred for 10 min. 200 \u03bcL of dopamine solution (4 mg/mL) and 200 \u03bcL of Co(ac)2\u00b74H2O solution (16 mg/mL) were then added into the dispersion alternately. After reacting at room temperature for 8 h, the SiO2@Co-PDA was obtained by centrifugation and washed with deionized water twice. SAC synthesis: The as-obtained SiO2@Co-PDA was firstly calcined in a tube furnace at 900 \u2103 for 3 h under Ar atmosphere. The products were etched with aqueous HF (10 wt%) solution for 4 h and further treated at 90 \u2103 for 3 h. Finally, the powder was collected and labeled as Co-NSC.", + "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: 6.4 g of dicyandiamide (C2H4N4), 1.6 g of L-cysteine (C3H7NO2S), and 21 mg of Rhodium(III) nitrate hydrate (Rh(NO3)3\u00b7xH2O) were first dissolved in 80 mL of deionized water with stirring for 1 hour. The solution was then dried by rotary evaporation at 80\u00b0C.\nSAC synthesis: Next, the obtained powder was transferred into a quartz tube furnace and heated to 900\u00b0C for 2 hours under a flow of argon gas. After cooling down to room temperature, the product was purified by 6 M hydrochloric acid (HCl) and deionized water several times to remove any possible metal particles or clusters. Finally, the sample was dried at 60\u00b0C before being 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 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: 6.4 g of dicyandiamide (C2H4N4), 1.6 g of L-cysteine (C3H7NO2S), and 21 mg of Ruthenium(III) acetylacetonate (Ru(acac)3) were homogeneously mixed by a ball mill pot for 2 h for twice at a speed of 400 rpm.\nSAC synthesis: The thus gained powder was pyrolyzed under N2 atmosphere with a flow rate of 60 mL min-1 in a tubular furnace with the following two-stage heating program: The first stage ramped to 600 \u2103 from room temperature at 3 \u2103 min-1 and then retained at 600 \u2103 for 120 min. The second stage ramped to 900 \u2103 at 2 \u2103 min-1 and then retained at 900 \u2103 for 60 min. Finally, the product was naturally cooled down to room temperature to obtain Ru-NC-900.", + "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: The sulfur powder was first dissolved in a mixed solution of ethanol and carbon tetrachloride, then the ethanol was removed by rotary evaporation to obtain a powder. The as-obtained powder was heated to 200 \u00b0C at a rate of 5 \u00b0C/min under Ar atmosphere and held for 4 h, followed by cooling down naturally to room temperature. SDS was obtained.\nSAC synthesis: In a typical synthesis, PbCl2 (10 mg), SDS (200 mg), and ZnO (1 g) were added into the ethanol solution with stirring for 30 min. Then the mixture was dried at 60 \u00b0C at vacuum. After calcination at 900 \u00b0C for 4 h under Ar atmosphere, the as-obtained powder was etched with HCl solution for 8 h at 80 \u00b0C to remove ZnO. Subsequently, the precipitate was collected by centrifugation and further washed with H2O and ethanol three times. Finally, the product was dried at 60 \u00b0C overnight.", + "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: 1.0 g of chitosan was dispersed in 100 ml of deionized water and continued stirring for 60 min.\nSAC synthesis: Then, 0.15 mmol of VCl3, 0.15 mmol of H2PtCl6\u00b76H2O, 0.75 mmol of Jiang et al., and 0.25 mmol of KMnO4 were added to the above solution, respectively. After stirring for 90 min, the mixed solution was heated at 90 \u2103 for complete evaporation. The obtained solid powder was heated at 800 \u2103 for 4h under high temperature and then cooled down to room temperature. Finally, the powder was heated at 500 \u2103 for 2h under high temperature. The final product was collected and marked as Pt-V/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 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: Dicyandiamide (DCD) was heated to 350 \u00b0C with a ramping rate of 7 \u00b0C min^-1 and held for 1 h, denoted as h-DCD. An ethanol (EtOH) solution of iron(III) acetylacetonate (with a volume ratio of H2O/EtOH = 1:1, containing 2 wt% Fe and 10 mg mL^-1 citric acid) was added to h-DCD and ground. After drying, the mixture was annealed at 660 \u00b0C at a ramping rate of 10 \u00b0C min^-1 for 2 h, denoted as an Fe-seed. SAC synthesis: In a typical procedure, 7 mL of methanol (MeOH), Co(NO3)2\u00b76H2O methanol solution (1.5 mL, 54.6 mg mL^-1), and Zn(NO3)2\u00b76H2O methanol solution (1.5 mL, 55.8 mg mL^-1) were subsequently added into FeNC (25 mg) powders. The mixture was ultrasonicated for 2 h and then centrifuged. The as-obtained precipitates were again mixed with MeOH (8.5 mL), and 2-methylimidazole methanol solution (1.5 mL, 123.2 mg mL^-1) was added dropwise, followed by ultrasonication for 2 h. The precipitates were centrifuged, washed with MeOH several times, and dried in a vacuum at 60 \u00b0C for at least 3 h. The dried powder was then pyrolyzed at 900 \u00b0C for 1 h with a ramping rate of 5 \u00b0C min^-1, denoted as FeCo-SAs. To remove the redundant metallic Fe nanoparticles that may have been formed during the synthesis process, the as-synthesized powder was left overnight at room temperature in 2 M HCl, filtered, thoroughly cleaned, and then dried in a vacuum at 60 \u00b0C for further characterization and catalytic reactions.", + "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: 0.5 g of Zn(NO3)2\u00b76H2O and 0.5 g of Ge(NO3)2\u00b7xH2O were dissolved in 50 mL of deionized water. 1 g of melamine was added to the solution, and the mixture was stirred for 12 h at room temperature to form a homogeneous gel. The gel was dried at 80 \u00b0C for 12 h and then calcined at 900 \u00b0C for 2 h under an argon atmosphere.\nSAC synthesis: The Ge-N4/N-C catalyst was prepared by a one-pot pyrolysis method. After calcination, the resulting solid was washed with 1 M HCl to remove the Zn species, and then washed with deionized water until the pH of the filtrate reached 7. The final product was dried at 80 \u00b0C for 12 h to obtain the Ge-N4/N-C catalyst.", + "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: In a typical procedure, 2-methylimidazole (1.68 g, 20 mmol) was dissolved in methanol solution (20 mL). Subsequently, an aqueous solution of Zn(NO3)2\u00b76H2O (1.19 g, 4 mmol) was added dropwise to the above solution under vigorous stirring for 1 h at room temperature. After that, the obtained precipitate was centrifuged and washed with methanol three times and dried in vacuum at 60 \u00b0C overnight. The above synthesized powder was used as the precursor of ZIF-8. Then, the ZIF-8 powder was heated to 950 \u00b0C for 1 h at a rate of 5 \u00b0C/min in Ar flow (10 mL/min). Finally, the obtained sample was soaked in HCl solution (2 M) for 12 h at 80 \u00b0C to remove unstable species. After drying in vacuum at 60 \u00b0C overnight, the NC sample can be obtained.\nSAC synthesis: The synthesis procedure is similar to Fe-Cu@NC except only adding 2 mg Cu(acac)2 to the mixture.", + "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: 1.0 g of PdCl2 was added to a solution of 30 mL of H2O and 60 mL of ethanol, and the mixture was stirred for 30 min. Then, 1.0 g of dopamine hydrochloride was added to the solution, and the reaction was conducted at room temperature for 24 h. The resulting Pd-PDA complexes were separated by centrifugation and washed with deionized water.\nSAC synthesis: The as-obtained Pd-PDA complexes were mixed with melamine at a mass ratio of 1:5 and heated to 900 \u00b0C under Ar atmosphere in a tube furnace for 2 h at a heating rate of 5 \u00b0C/min. After cooling to room temperature, the products were collected and marked as PdSA@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 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: 40 mL of ethanol and 20 mL of water were stirred for 2 min at 25 \u2103. 2.5 mL of ammonia was added to the mixed solution and stirred for 10 min. 1.6 mL TEOS was added dropwise into the mixed solution under stirring. After stirring for 8 h, SiO2 nanospheres with diameters of about 22 nm were obtained by centrifugation and dispersed in 10 mL colloidal silica suspension.\n\nEthanol solution containing 250 mg of hydroxypropyl cellulose was added to 10 mL of colloidal silica suspension. After stirring for 30 min, 10 mL of aqueous solution containing 100 mg dopamine hydrochloride was added to the above mixture. After reaction for 24 h, SiO2@PDA powder was collected by centrifugation.\n\nSAC synthesis: The as-obtained SiO2@PDA powder was annealed at 900 \u00b0C for 3 h in Ar atmosphere. The products were etched with HF solution (10 wt%) for 4 h, followed by washing with water and anhydrous ethanol several times and dried at 60 \u00b0C overnight. Finally, MnSA/NC was obtained after drying.", + "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: 6.4 g of dicyandiamide (C2H4N4), 1.6 g of L-cysteine (C3H7NO2S), and 21 mg of K2PtCl4 (0.06 mmol) were used as precursors.\nSAC synthesis: The mixture was directly placed in a corundum boat and heated to 550 \u00b0C for 2 h in a tube furnace under flowing air. Then, the sample was further treated at 500 \u00b0C for 2 h under an Ar atmosphere with a flow rate of 50 sccm. After cooling down naturally, the black powder was obtained and was denoted as Pt-SA@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 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: 40 ml methanol solution containing 3.25 g 2-methylimidazole was quickly added into another 20 ml methanol solution with 1.5 g Zn(NO3)2\u00b76H2O and 14 mg Fe(NO3)3\u00b79H2O while stirring. The mixed solution was then stirred for 4 h at room temperature. The obtained precipitates were centrifuged, washed with ethanol several times, and dried in vacuum at 60\u00b0C for overnight. SAC synthesis: Finally, the obtained powder was annealed in a tube furnace at 900\u00b0C for 3 h under N2 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 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: 6 mmol of Zn(NO3)\u00b76H2O, 0.2 mmol of Na2MoO4\u00b72H2O, and 2 mmol of Mo(NO3)\u00b7xH2O were dissolved in 20 mL of methanol. 15 mmol of 2-methylimidazole in 20 mL methanol was subsequently injected into the above solution with stirring. The mixture was transferred into a 50 mL Teflon-lined stainless-steel autoclave and then heated at 120\u00b0C for 4 h. The obtained precipitates were washed with ethanol through centrifugation at 8000 rpm for several times and dried overnight at 60\u00b0C. The dried powder (Mo-Zn-SA/ZIF) was placed in a tube furnace, heated from room temperature to 900\u00b0C for 4 h with a heating rate of 5\u00b0C min\u207b\u00b9 under flowing nitrogen gas, leading to Mo-SA/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 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: Ferric nitrate (Fe(NO3)3\u00b79H2O), 98%, SigmaAldrich) and ammonium carbonate ((NH4)2CO3, 99.5% Sigma-Aldrich) were used as purchased. First, Fe(NO3)3\u00b79H2O (10 g) was added in water (60 mL) and stirred at room temperature. To this solution, (NH4)2CO3 (11 g) was slowly added under vigorous stirring, and the pH of the resulting solution was carefully adjusted to a pH slightly over 10 by adding dropwise an NH3\u00b7H2O solution (25% NH3, Alfa-Aesar). After stirring for 3 h, the precipitate was filtered and washed with distilled water until the pH of the filtrate was below 7. Then, the precipitate was dried at 120 \u00b0C for 12 h and calcined at 400 \u00b0C for 5 h. FeOx-supported catalysts were prepared by co-precipitation methods using Fe(NO3)3\u00b79H2O and (NH4)2CO3 as described above. The amount of Fe(NO3)3\u00b79H2O and (NH4)2CO3 were 10 g and 11 g, respectively. The pH of the resulting solution was slightly over 10 and was maintained for 3 h. After aging for 1 h, the precipitate was filtered and washed with distilled water several times and then dried at 120 \u00b0C for 12 h and calcined at 400 \u00b0C for 5 h.\nSAC synthesis: Pt nanoparticles (NPs) were synthesized according to the literature method. [Pt NPs were synthesized by the DP method in an aqueous solution of chloroplatinic acid (H2PtCl6, 8 wt.% Pt, Alfa-Aesar) and polyvinyl pyrrolidone (PVP, average mol. wt. ~40,000, Acros) with a molar ratio of H2PtCl6/PVP = 1/0.9. The mixture was heated from room temperature to 90 \u00b0C under vigorous stirring and then kept at 90 \u00b0C for 3 h. After cooling to room temperature, the Pt NPs were collected by centrifugation and further purified by washing with water and ethanol three times. Finally, the Pt NPs were uniformly dispersed on the FeOx support by incipient wetness impregnation. For the preparation of Pt/FeOx-NPs sample, Pt/FeOx-C800 sample was reduced under 10 vol.% H2 in He at 400 \u00b0C for 1 h and then cooled down to room temperature.", + "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: 0.2 g glucose, 2 g dicyandiamide, and the same moles of Cobalt chloride hexahydrate (CoCl2\u00b76H2O) as Nickel chloride hexahydrate (NiCl2\u00b76H2O) were dispersed in 70 mL deionized water and stirred for 12 h to get a homogeneous solution.\nSAC synthesis: The solution was quickly frozen by liquid nitrogen and freeze-dried in a freeze dryer with vacuum. Afterward, the resultant powders were pyrolyzed at 550 \u00b0C for 2 h and 800 \u00b0C for 2 h under a flowing Ar atmosphere. The as-obtained product was denoted as Co SAs/AC@NG.", + "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 amorphous MoO 3 (\u03b1-MoOx) was prepared by the same method as \u03b1-MoS 2, except that the (NH 4 ) 6 Mo 7 O 24 precursor was used.\nSAC synthesis: Pt was deposited on \u03b1-MoOx using the same method as Pt/MoS 2, and the amount of Pt was controlled by adjusting the amount of H 2 PtCl 6. The Pt/\u03b1-MoOx catalyst with different amounts of Pt was prepared as follows: 0.5 mmol, 1 mmol, 2 mmol, or 4 mmol of H 2 PtCl 6 were added to 30 mL of deionized water and stirred for 30 min. Then, the \u03b1-MoOx support was dispersed in the solution and stirred further for 1 h. The samples were dried at 80 \u00b0C overnight and reduced in H 2 (10 vol% H 2 /Ar) at 200 \u00b0C for 2 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 0.5% Au/MoO3 catalyst was synthesized by the impregnation method using ammonium carbonate ((NH4)2CO3) as the support and gold chloride hydrate (HAuCl4\u00b7xH2O) as the precursor. In a typical synthesis, 1 g of (NH4)2CO3 was added to a solution of HAuCl4\u00b7xH2O in water (typ. 5 mL g -1 ). Then, the mixture was dried at 80 \u00b0C for 12 h and calcined at 500 \u00b0C for 6 h with air. Finally, the obtained material was reduced in 5 vol% H2/N2 at 400 \u00b0C for 2 h.\nSAC synthesis: The 0.5% Au/MoO3 catalyst was synthesized by the impregnation method using ammonium carbonate ((NH4)2CO3) as the support and gold chloride hydrate (HAuCl4\u00b7xH2O) as the precursor. In a typical synthesis, 1 g of (NH4)2CO3 was added to a solution of HAuCl4\u00b7xH2O in water (typ. 5 mL g -1 ). Then, the mixture was dried at 80 \u00b0C for 12 h and calcined at 500 \u00b0C for 6 h with air. Finally, the obtained material was reduced in 5 vol% H2/N2 at 400 \u00b0C for 2 h.", + "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 Pb(NO3)2 solution was prepared by dissolving 1.56 g of Pb(NO3)3\u00b7xH2O powder in a 10 mL mixture of ethanol and water (v/v, 1:1). Then, the solution was added dropwise to a 10 mL mixture of ethanol and water containing 0.5 g of ammonium carbonate ((NH4)2CO3). After stirring for 30 min, the precipitates were collected by centrifugation at 8000 rpm for 10 min, followed by washing with deionized water three times and drying in vacuum at 60 \u00b0C for 12 h.\nSAC synthesis: The Pb/MoOx catalysts were prepared by co-impregnating Pb(NO3)2 solution and Na2MoO4 solution on \u03b3-Al2O3 with different loadings of Pb. Firstly, 2.0 g of \u03b3-Al2O3 was mixed with 10 mL of deionized water and 10 mL of ethanol. Then, 150 \u03bcL of Pb(NO3)2 solution (2 mg/mL) and 150 \u03bcL of Na2MoO4 solution (2 mg/mL) were added dropwise to the mixture under vigorous stirring. The obtained slurry was further dried at 80 \u00b0C for 12 h. Finally, the catalysts were obtained by calcining at 500 \u00b0C for 4 h at a ramping rate of 2 \u00b0C/min.", + "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 ionic inorganic oligomers were synthesized by following the literature method 31 with modification described in the experimental details.\nSAC synthesis: In a typical synthesis of Pd5Ru95Ir5/\u0251-MoOx, 50 \u00b5L of PdCl2 stock solution (6 g/L) and 1.425 mL RuCl2 stock solution (3.6 g/L) were added into the beaker with 3.0 mL 1.93 g ionic inorganic oligomers and 5.0 mL ethanol. The beaker was kept stirring while another beaker with 0.25 M NaOH and 1.0 mL ethanol slowly poured in and the pH of the solution was adjusted to pH = 8.5. After stirring for 30 min, the dark brown precipitate was collected by centrifugation and washed with distilled water. The wash-centrifuge process was repeated for three times. The pale yellow precipitate was then dried at 60 \u00b0C for 12 h. A homologous mixture of Pd5Ru95Ir5/\u03b2-MoOx was prepared using \u03b2-MoOx support instead of \u03b1-MoOx.", + "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: H2PtCl6\u00b76H2O (99.99%) was purchased from Tianjin Fengchuan and platinum bis(acetylacetonate) (98%) was purchased from J&K Scientific company.\nSAC synthesis: The Pt/MgAl2O4, Pt/Fe2O3 and Pt/ NiFe2O4 were prepared following the above impregnation procedure for Pt/CF except that home-made MgAl2O4, commercial Fe2O3 and NiFe2O4 were used as support. The metal loading of these catalysts is nearly 2.0 wt%.", + "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: Ferric chloride hexahydrate (FeCl3\u00b76H2O) and melamine were used as precursors.\nSAC synthesis: To obtain the few-layer graphene-supported Fe SACs (denoted as Fe-N-rGO), all the processes were the same as for Ni-N-rGO, but FeCl3 was used instead of NiCl2.", + "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: Ferric chloride hexahydrate (FeCl3\u00b76H2O) and melamine were used as precursors.\nSAC synthesis: To obtain the few-layer graphene-supported Fe SACs (denoted as Fe-N-rGO), all the processes were the same as for Ni-N-rGO, but FeCl3 was used instead of NiCl2.", + "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: 10 mL of tetrabutyl titanate and 1.5 mL of hydrofluoric acid solution (47%) were mixed under stirring in a dried Telfon-lined autoclave (25 ml) and heated at 200 \u00b0C with stirring for 24 h. After cooling, the white precipitates were separated by high-speed centrifugation and washed with ethanol and distilled water several times. Finally, the powder was dispersed in 0.1 M NaOH aqueous solution and stirred for 8 h at room temperature. The power was recovered by high speed centrifugation, washed with distilled water and ethanol several times and finally dried at vacuum oven for 12 h.\nSAC synthesis: An aqueous suspension of TiO2 nanosheets was prepared by adding 0.5 g TiO2 nanosheets into 60 mL deionized water. Several drops of a 0.1M NaOH solution were used to adjust the pH value of the suspension to 8-8.5. 25 mg of Pd(NO3)2\u00b72H2O and 30 ml deionized water were added into the suspension and stirred for 1 h. A high pressure mercury lamp (500 W, Shanghai Yaming Light) was fixed at 20 cm above the surface of solution in the photoreactor. Before illumination, the suspension was bubbled with high purity N2 (99.999%) continuously for 30 min in dark under stirring. Illumination was operated at room temperature for 6 h. The power was recovered via high speed centrifugation, washed with distilled water and ethanol several times. Finally, the samples were obtained after drying at vacuum oven for 12 h and named as Pd/TiO2-x-y, where x represents the irradiation time (6, 12, 24, 36 h), y represents the power loading (0.1%, 0.5%, 1%, 2%).", + "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: 10 mL of tetrabutyl titanate and 1.5 mL of hydrofluoric acid solution (47%) were mixed under stirring in a dried Telfon-lined autoclave (25 ml) and heated at 200 \u00b0C with stirring for 24 h. After cooling, the white precipitates were separated by high-speed centrifugation and washed with ethanol and distilled water several times. Finally, the powder was dispersed in 0.1 M NaOH aqueous solution and stirred for 8 h at room temperature. The power was recovered by high speed centrifugation, washed with distilled water and ethanol several times and finally dried at vacuum oven for 12 h.\nSAC synthesis: An aqueous suspension of TiO2 nanosheets was prepared by adding 0.5 g TiO2 nanosheets into 60 mL deionized water. Several drops of a 0.1M NaOH solution were used to adjust the pH value of the suspension to 8-8.5. 25 mg of Pd(NO3)2\u00b72H2O and 30 ml deionized water were added to the suspension. The mixture was stirred at room temperature for 12 h. The resulting products were collected by high speed centrifugation and washed with deionized water several times. Finally, the samples were obtained after drying at vacuum oven for 12 h and calcined at 350 \u00b0C for 2h.", + "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: The Pd/ZnO NWs were synthesized by a hydrothermal method. First, 0.5 g of Zn(NO3)2\u00b76H2O and 0.01 g of Pd(NO3)2\u00b7xH2O were dissolved in 50 mL of methanol. Then, the above solution was added into 50 mL of methanol containing 2-methylimidazole (1.97 g). After stirring for 24 h at room temperature, the obtained precipitates were centrifuged and washed with methanol three times and finally dried at 60 \u00b0C overnight. Then, the Pd/ZnO NWs sample was calcined at 500 \u00b0C under O2 for 2 h.\nSAC synthesis: The Pd/ZnO NWs were synthesized by a hydrothermal method. First, 0.5 g of Zn(NO3)2\u00b76H2O and 0.01 g of Pd(NO3)2\u00b7xH2O were dissolved in 50 mL of methanol. Then, the above solution was added into 50 mL of methanol containing 2-methylimidazole (1.97 g). After stirring for 24 h at room temperature, the obtained precipitates were centrifuged and washed with methanol three times and finally dried at 60 \u00b0C overnight. Then, the Pd/ZnO NWs sample was calcined at 500 \u00b0C under O2 for 2 h.", + "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: 10.5 mg H\u2082PtCl\u2086\u00b7xH\u2082O, 15.4 mg K\u2082IrCl\u2086\u00b76H\u2082O, or 8.3 mg PdCl\u2082\nSAC synthesis: The metal precursors (PdCl\u2082) were added to cyanamide or to the mixture of cyanamide and colloidal silica in the synthesis of MOFs.", + "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: 20 mmol of 1-butyl-3-methylimidazolium chloride and 20 mmol of Al(NO3)3 \u00b7 9H2O were weighed and dissolved into 30 mL of deionized water. The solution was stirred using a magnetic stirrer for 20 minutes at room temperature. Then 60 mL of (NH4)2CO3 (1 mol/L) solution were dropped into the above solution slowly to form a condensed white slurry. Next, the slurry was transferred into a 100 mL stainless autoclave. The autoclave was sealed and placed into the oven at 120 \u2103 for 12 h. After the autoclave cooled down to room temperature, the sediment was washed with ethanol and deionized water three times, then the sediment was dried at 60 \u2103 for 10 h. Finally, amorphous mesoporous Al2O3 was obtained.\n\nSAC synthesis: The identical procedure was employed to prepare the catalyst of 4.5Fe-based catalysts as 4.5Fe-Al2O3 except the difference of supports. The catalyst was denoted as Cu/ZSM-5.", + "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: ZIF-67 Nanocubes were synthesized by a surfactant-mediated method reported previously.\nSAC synthesis: Synthesized by a similar procedure as that described for Pt crs -Co3O4/C, using 5.9 mg of HAuCl4\u00b74H2O (0.02 mmol) in the place of 10.8 mg of K2Pt(CN)6.", + "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: The CTF was prepared by the hydrothermal method according to the previous report. [20] Typically, 40 mL of dimethylformamide (DMF) and 3.5 mL of water were mixed in a 100 mL Teflon-lined autoclave. Then, 0.78 g of hexamethylenetetramine (HMTA) was dissolved into mixture solution under magnetic stirring. Afterwards, the Teflon-lined autoclave was heated at 160 \u00b0C for 16 h. When the hydrothermal reaction naturally cooled down to room temperature, the precipitate was collected by centrifugation and washed with DMF and water three times. Finally, the CTF was obtained by drying in a vacuum oven at 60 \u00b0C for 12 h.\nSAC synthesis: In a typical synthesis, 0.2 g of as-prepared CTF was dispersed in 40 mL of DMF under ultrasound for 10 min. Then, a certain amount of K2PtCl4 and NaBH4 were added dropwise to the above mixture under vigorous stirring. Afterwards, the mixture was continuously stirred for 2 h at 0 \u00b0C. Then, the precipitate was collected by centrifugation and washed with DMF and water three times. Finally, the Pt SAs/CTF was obtained by drying in a vacuum oven at 60 \u00b0C for 12 h. According to the ICP-MS results, the actual contents of Pt and PtO are 0.9 wt% and 1.2 wt%, respectively.", + "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: 20.0 mg of g-C3N4 was dispersed in 50 mL of ethanol by sonication for 10 min, and then 0.76 mL (5 mmol) of H2PtCl6 \u00b7 6H2O solution was added into the above solution with vigorous stirring for 12 h at room temperature. After that, the suspension was centrifuged and dried in a vacuum oven at 80 \u00b0C for 12 h. Finally, the powder was calcined at 300 \u00b0C for 2 h under an argon atmosphere to obtain Pt1/g-C3N4 nanosheets. Inductively coupled plasma atomic emission spectroscopy (ICP-AES) determined the actual content of Pt to be 1.0 wt%.\nSAC synthesis: The same procedure as described for Pt1/g-C3N4 nanosheets was used.", + "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: 20.0 g of PEO-50000, 0.015 mmol of Cu(OAc)2\u00b74H2O, 0.3 M HCl solution to maintain the pH at 8~10.\nSAC synthesis: 20.0 g of PEO-50000 was dissolved in 100 mL of THF. 0.015 mmol of Cu(OAc)2\u00b74H2O was added into the solution. The mixture was stirred for 24 h at room temperature. The precipitate was collected by centrifugation and washed with THF for three times. The obtained precipitates were dried at 60 \u00b0C under vacuum overnight. These samples were denoted as Cu/PEO.", + "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: Catalyst preparation began with the anchorage of 1 wt% Rh/\u03b3-Al2O3 on \u03b3-Al2O3.\nSAC synthesis: Catalyst preparation was completed by the anchorage of 1 wt% Rh/\u03b3-Al2O3 on \u03b3-Al2O3.", + "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: Rhodium complexes were supported on carbon by impregnation of the support with an aqueous solution of RhCl3 followed by drying at 120 \u00b0C and calcination in air at 500 \u00b0C for 5 h.\nSAC synthesis: Not applicable.", + "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: Cerium oxide powder support was synthesized via thermal decomposition of cerium (III) nitrate hexahydrate (Ce(NO3)2\u00b76H2O, 99.999% purity, from Sigma Aldrich) at 350 \u00b0C for 2 h.\nSAC synthesis: The 1wt.%Rh/Al2O3 catalysts were prepared by incipient wetness impregnation. The CPA catalysts were prepared using chloroplatinic acid solution 8 wt.% in H2O (Sigma Aldrich) and followed the same preparation conditions described for the TAPN catalysts. Briefly, 1 g of Al2O3 support was added to a 25 mL of chloroplatinic acid solution. Then, the mixture was dried at 40 \u00b0C under continuous stirring. Next, the dried material was calcined at 550 \u00b0C for 6 h in air. Finally, the catalysts were reduced at 550 \u00b0C for 6 h in 10% H2 in He.", + "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: 10 mL of NH3H2O, 300 mL of ethanol, and 50 mL of distilled water were stirred together at room temperature for 5 min. 6 mL of TEOS was added dropwise into the mixed solution under stirring. The SiO2 nanospheres were obtained by centrifugation (8000 rpm), washing with water/ethanol mixture, and drying at 70 \u00b0C for 12 h. 200 mg of SiO2 nanospheres with diameters of about 220 nm were dispersed in 50 mL of H2O by ultrasonication for 30 min. 1.0 mL of CTAC (25 mg mL-1) was added to the dispersion under stirring. 200 mg of dopamine hydrochloride was dissolved in 40 mL of H2O. The SiO2@PDA nanospheres were obtained by adding the dopamine hydrochloride solution to the dispersion of SiO2 nanospheres and stirring for 24 h. SAC synthesis: The as-obtained SiO2@PDA nanospheres were annealed at 900 \u00b0C for 3 h under Ar atmosphere with a ramping rate of 5 \u00b0C min-1. The samples were etched with 5 wt% HF solution to remove the SiO2 template. After filtration, thorough washing with water, and drying at 70 \u00b0C for 12 h, the final product of NC was achieved.", + "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: 0.125 g F127 was dissolved in 60 mL DI water at 40 \u00b0C. 1 g g-CD and PPDA at a 1:2 molar ratio were added, followed by stirring overnight to produce a homogeneous solution. This complex was transferred into a Teflon autoclave and held at 220 \u00b0C for 6 h. After cooling to room temperature, the product was collected by vacuum filtration and washed with DI water three times.\nSAC synthesis: 1 g of the as-synthesized nanoparticles (serving as the carbon intermediate) was mixed with 1 g PdCl2 in DI water by ultrasonication. After evaporating water, the mixture was annealed under argon at 900 \u00b0C for 2 h. The resulting residue was added to a dilute HCl solution and stirred for 1 h to remove residual Pd-containing compounds, then recovered and rinsed thoroughly with DI water to give the final product, denoted as PdN-C.", + "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: Graphene Oxide (GO) was first prepared according to a modified Hummers method. GO (1 mg mL^-1) was dispersed in DI water and mixed with urea (N(urea) : C(GO) in a 50 : 1 weight ratio), and the mixture was heated at 80 \u00b0C for 4 h under stirring. The final product was then collected by centrifugation and washed with DI water. MEGO was obtained by sonicating the resulting powder for 30 min in an ultrasonic bath.\nSAC synthesis: NiCl2\u00b76H2O (3.0 mg) was added to a 10 mL vial containing a mixture of ethanol and DI water (v/v = 9 : 1). After sonication for 5 min, the solution was added to a 10 mL vial containing a mixture of MEGO (2 mg mL^-1) and DI water (v/v = 9 : 1). After sonication for 5 min, the solution was added to a 10 mL vial containing a mixture of NH3 (1 mL) and DI water (v/v = 9 : 1). The final product was then collected by centrifugation and washed with DI water.", + "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: ZIF-8 was prepared via the reported method with a slight modification. Typically, 3.6 mmol of Zn(NO3)2\u00b76H2O dissolved in 40 mL of methanol was injected into 40 mL of methanolic solution containing 28.7 mmol of MelM, followed by vigorous stirring for 24 h at room temperature. The as-obtained product was centrifuged and washed with methanol several times and finally dried at 60 \u00b0C under vacuum overnight. NC was synthesized by direct pyrolysis of ZIF-8 in the absence of NaCl at 1000 \u00baC under a heating rate of 5 \u00baC min -1 under Ar atmosphere for 2 h. SAC synthesis: To obtain the Cu-NC catalyst, 0.5 g of NC powder was first dispersed in 100 mL of methanol. Then, 0.05 M Cu(NO3)2\u00b73H2O solution was added to the NC dispersion and stirred for 12 h at room temperature. Afterward, the mixture was filtered and washed repeatedly using methanol to remove the superfluous Cu ion. Finally, the resulting sample was dried at 60 \u00baC under vacuum overnight and then calcined at 900 \u00baC for 2 h under Ar atmosphere.", + "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: 200 mg of multi-walled carbon nanotubes (MCNTs) and 500 mg of melamine were added into 120 mL of a mixture solvent of ethanol and water with a volume ratio of 1:1 for sonicating 1 hour. 25 mg Fe(acac)3 and 50 mg Cu(acac)2 were added into 20 mL of ethanol for sonicating 0.5 hour. 140 \u03bcL of the mixture solution of ethanol and water was added to the above solution under sonication. The mixture was stirred for 24 hours at room temperature, followed by centrifugation and drying in vacuum oven at 60 \u2103.\nSAC synthesis: The dried powder was heated to 900 \u2103 for 2 hours in Ar atmosphere.", + "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: 20 mg of CTAB was dissolved in 40 mL of ultrapure water. 15 mL of aqueous NaOH solution (2.5 M) was added to the solution under stirring. After that, 80 mg of iron(III) 2,4-pentanedionate powder was added. The solution was transferred into a 50 mL Teflon-lined autoclave and heated at 160 \u00b0C for 3 h. The products were separated by centrifugation and further purified by ethanol. After that, the products were dried at 60 \u00b0C overnight. Finally, the products were calcined at 400 \u00b0C for 1 h under air atmosphere.\nSAC synthesis: 20 mg of CTAB was dissolved in 40 mL of ultrapure water. 15 mL of aqueous NaOH solution (2.5 M) was added to the solution under stirring. After that, 80 mg of iron(III) 2,4-pentanedionate powder was added. The solution was transferred into a 50 mL Teflon-lined autoclave and heated at 160 \u00b0C for 3 h. The products were separated by centrifugation and further purified by ethanol. After that, the products were dried at 60 \u00b0C overnight. Finally, the products were calcined at 400 \u00b0C for 1 h under airiness.", + "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: 6 mmol of Zn(NO3)\u00b76H2O, 0.2 mmol of Na2MoO4\u00b72H2O, and 2 mmol of Mo(NO3)\u00b7xH2O were dissolved in 20 mL of methanol. 15 mmol of 2-methylimidazole in 20 mL methanol was subsequently injected into the above solution with stirring. The mixture was transferred into a 50 mL Teflon-lined stainless-steel autoclave and then heated at 120\u00b0C for 4 h. The obtained precipitates were washed with ethanol through centrifugation at 8000 rpm for several times and dried overnight at 60\u00b0C. The dried powder (Mo-Zn-SA/ZIF) was placed in a tube furnace, heated from room temperature to 900\u00b0C for 4 h with a heating rate of 5\u00b0C min\u207b\u00b9 under flowing nitrogen gas, leading to Mo-SA/NC samples.", + "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(NO\u2083)\u2082\u00b76H\u2082O and 1.0 g of hexamine (HMT) were dissolved in 20 mL of ultrapure water to form a clear solution. The solution was transferred into a Teflon-lined autoclave with a volume of 50 mL and heated at 95 \u00b0C for 9 h. The obtained powder was washed and dried, then heated at 350 \u00b0C for 2 h in a muffle furnace to generate the NiO nanosheet. 6 g of melamine was placed in a porcelain boat and heated at 550 \u00b0C for 2 h in a muffle furnace to obtain C\u2083N\u2084 (a yellow block). SAC synthesis: The mixture powder of as-synthesized NiO and C\u2083N\u2084 at a mass ratio of 1:100 was loaded into a tubular furnace. The mixture was heated from room temperature to 900 \u00b0C under a N\u2082 atmosphere at a rate of 2 \u00b0C min\u207b\u00b9 under continuous argon flow. The mixture was kept at 900 \u00b0C for 5 minutes and then cooled down to room temperature. The resulting material was identified as NiSA/NiNP-NCNT. NiSA/NiNP-NCNT was mixed with sodium hypophosphite in a mass ratio of 1:1 and placed in a tube furnace. The mixture was heated from room temperature to 350 \u00b0C at a rate of 2 \u00b0C min\u207b\u00b9, held at this temperature for 2 h, and then cooled to room temperature. The resulting black powder was treated with 3 M HCl at 80 \u00b0C for 12 h to remove exposed metal aggregations. After washing with deionized water three times, the NiSA/NiNP-NPCNT sample was obtained.", + "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: 200 mg of multiwalled carbon nanotubes (MCNT) and 500 mg of melamine were added into 120 mL of a mixture solvent of ethanol and water with a volume ratio of 1:1 for sonicating 1 hour. 25 mg of cobalt acetate was added into 3 mL of ethanol for sonicating 0.5 hour. 300 mg of MCNT-melamine-cobalt complexes (BCNT) were obtained after stirring the above mixture for 24 hours at room temperature. The BCNT was separated by centrifugation and dried in vacuum at 60 \u00b0C for 12 hours.\nSAC synthesis: The as-obtained BCNT precursor was heated to 900 \u00b0C under Ar flow (100 sccm) at a heating rate of 5 \u00b0C min^-1 and maintained at this temperature for 2 hours. After that, the furnace was naturally cooled down to room temperature. The product was then treated with 2 M HCl solution at 80 \u00b0C for 12 hours to remove any possible metal particles or clusters. The final product of CoSA/NCNT was collected by centrifugation and dried in vacuum at 60 \u00b0C overnight.", + "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: 200 mg of multiwalled carbon nanotubes (MCNT) and 500 mg of melamine were added into 120 mL of a mixture solvent of ethanol and water with a volume ratio of 1:1 for sonicating 1 hour. 25 mg of iron (III) nitrate nonahydrate was dissolved in 2 mL of ethanol. 140 \u03bcL of the ethanol solution of Fe(NO3)3 was added to the MCNT-melamine solution under sonication. The mixed solution was stirred for 2 hours. The precipitates were collected by centrifugation at 8000 rpm for 5 minutes, completely dried at 60 \u00b0C and ground to a fine powder. SAC synthesis: The powder was put into a tube furnace with flowing argon gas for 2 hours. The powder was etched in 3 M H2SO4 solution for 12 hours to remove inactive and unstable species. The final products were obtained by centrifugation, washing with deionized water and ethanol, and drying in vacuum at 60 \u00b0C overnight.", + "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 of chitosan was first dispersed in 100 mL deionized water. After vigorous stirring for half an hour, 0.2 g MnCl2 was added to the mixed solution and stirring was continued for one hour. Subsequently, 0.6 g of LiCl, 1.5 g of KCl, and 3.5 g of ZnCl2 were dissolved in a mixed solution containing 40 mL deionized water and 40 mL ethanol, and then added to the above mixed solution. The mixture was vigorously stirred at 80 \u00b0C until completely dried.\nSAC synthesis: Next, powder sample was transferred into a quartz tube, which was then heated to 900 \u00b0C kept for 4 hours with a heating rate of 5 \u00b0C min -1 in high purity nitrogen atmosphere. The powder sample was collected and washed with 6 M HNO3 and deionized water for several times, and then dried at 60 \u00b0C under vacuum for overnight. Finally, the dried powder product was finally heated at 900 \u00b0C for 2 h at a ramp 5 \u00b0C min -1 under high purity nitrogen atmosphere. Mn-N-CNS was obtained, the obtained material was directly used without further treatment.", + "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: 2.9 g Zn(NO3)2\u00b76H2O was dissolved in 150 mL methanol to prepare solution A. 9.6 g 2-methylimidazole was dissolved in 150 mL methanol to prepare solution B. Solution A was added to solution B and kept stirring for 12 h at room temperature. After centrifugation, the final product was dried at 60 \u00b0C for 5 h. 100 mg ZIF-8 was added into 50 mL methanol solution containing 100 mg phytic acid solution, which was stirred in an oil bath at 45 \u00b0C for 2 h. After filtration, the black solid was placed in an oven at 60 \u00b0C and dried for 8 h. Then, the black solid was heated at 950 \u00b0C for 30 min in a tubular furnace with a heating rate of 5 \u00b0C min-1 under flowing Ar atmosphere. After cooling to room temperature, the product ZnN4/P-C was obtained.", + "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: 1.0 g of Ni(NO\u2083)\u2082\u00b76H\u2082O and 1.0 g of hexamine (HMT) were dissolved in 20 mL of ultrapure water to form a clear solution. The solution was transferred into a Teflon-lined autoclave with a volume of 50 mL and heated at 95 \u00b0C for 9 h. The obtained powder was washed and dried, then heated at 350 \u00b0C for 2 h in a muffle furnace to generate the NiO nanosheet. 6 g of melamine was placed in a porcelain boat and heated at 550 \u00b0C for 2 h in a muffle furnace to obtain C3N4.\nSAC synthesis: The mixture powder of as-synthesized NiO and C3N4 at a mass ratio of 1:100 was loaded into a tubular furnace. The mixture was heated from room temperature to 900 \u00b0C under a N2 atmosphere at a rate of 2 \u00b0C min\u207b\u00b9 under continuous argon flow. The mixture was kept at 900 \u00b0C for 5 minutes and then cooled down to room temperature. The resulting material was identified as NiSA/NiNP-NCNT. NiSA/NiNP-NCNT was mixed with sodium hypophosphite in a mass ratio of 1:1 and placed in a tube furnace. The mixture was heated from room temperature to 350 \u00b0C at a rate of 2 \u00b0C min\u207b\u00b9, held at this temperature for 2 h, and then cooled to room temperature. The resulting black powder was treated with 3 M HCl at 80 \u00b0C for 12 h to remove exposed metal aggregations. After washing with deionized water three times, the NiSA/NiNP-NPCNT sample was 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": 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: 2-Methylimidazole (1.314 g, 16 mmol) was dissolved in 15 mL of methanol as solution A. Ni(acac)2\u00b72H2O (0.765 g, 2 mmol), Zn(NO3)2\u00b76H2O (0.569 g, 2 mmol), and Mn(acac)3 (0.096 g, 0.28 mmol) were dissolved in 30 mL of methanol as solution B. Solution A was then transferred into a 100 mL Teflon-lined stainless-steel autoclave and solution B was subsequently added into solution A. The mixed solution was then vigorously stirred at 120\u00b0C for 12 h. After being cooled down to room temperature, the obtained product was separated by centrifugation and washed three times with methanol and then dried at 60\u00b0C under vacuum overnight.\nSAC synthesis: Finally, the NiMn-ZIF/PDA power was pyrolyzed at 950\u00b0C for 3 h under flowing argon gas and then naturally cooled down to room temperature.", + "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: 2.0 g of 2-methylimidazole and 200 mg phenanthroline (Phen) were dissolved in 40 mL methanol to form a clear solution at 60 \u2103 in a reflux system. 60 mg of iron nitrate nonahydrate (Fe(NO3)3\u00b79H2O) and 1.8 g zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O) were dissolved in 10 mL methanol to form a transparent solution. The two solutions were mixed and stirred for 24 h at room temperature. The precipitate was collected by centrifugation, washed with methanol several times, and dried overnight in an oven at 60 \u2103.\nSAC synthesis: Finally, the obtained powder was pyrolyzed at 950 \u2103 under Ar gas for 2 h, with a heating rate of 5 \u2103/min. The Fe loading is 0.75 wt%, and the Ph content is 0.75 wt%.", + "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: Zhang et al. reported the synthesis of Sn-N4/C SACs by a molten salt approach, in which tin powder is co-mixed with SnCl2 and zinc chloride at an atomic ratio of 1:0.5:5.\nSAC synthesis: The mixture was then transferred to a quartz tube and heated to 600 \u00b0C under Ar flow (100 sccm). After 3 h of pyrolysis, the quartz tube was sealed. The sample was then heated to 800 \u00b0C overnight and then cooled down to room temperature. Finally, the product was soaked in HCl solution (2 M) for 12 h to remove any possible tin nanoparticles or clusters.", + "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: 10 g of urea was put into a covered crucible and heated to 600 \u00b0C at a ramp rate of 5 \u00b0C/min in muffle furnace. It was maintained at this temperature for an additional 2 h. After being cooled down, the resultant powders (about 500 mg) were ultrasonicated with deionized water, collected by filtration, and finally dried under vacuum at 60 \u00b0C. An aqueous solution of g-C3N4 (approximately 3 mg mL^-1) was prepared. 100 mL of the g-C3N4 solution was mixed with 100 mL of melamine solution (approximately 1.8 mg mL^-1). The mixture was stirred continuously overnight. The resulting precipitates were centrifuged and washed with deionized water several times. The obtained powders were placed in a tube furnace and annealed at 550 \u00b0C for 4 h under air atmosphere. The sample is designated as CN@g-C3N4.\nSAC synthesis: 100 mg of CN@g-C3N4 was transferred into a uniformly dispersed suspension containing 20 mL of deionized water and 30 mL of ethanol. A certain amount of NH4Cl (0.75, 1.5, and 2.25 mg) was added to the above suspension. The mixture was sonicated for 5 min. A drop of Nafion solution (5 wt%) was added to the above mixture. The mixture was sonicated for another 5 min. The prepared mixture was hydrothermally treated at 120 \u00b0C for 6 h. The final product was collected by filtration and dried under vacuum at 60 \u00b0C. The sample is designated as CN@g-C3N4-1.5% NH4Cl/Nafion, CN@g-C3N4-3% NH4Cl/Nafion, and CN@g-C3N4-4.5% NH4Cl/Nafion.", + "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: Pyrolysis of pyrolyzed ZIF-8 with adsorbed Mn.\nSAC synthesis: Pyrolysis of pyrolyzed ZIF-8 with adsorbed Mn at 900 \u00b0C for 2 h under Ar atmosphere.", + "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: 10 g of urea was put into a covered crucible and heated to 600 \u00b0C at a ramp rate of 5 \u00b0C/min in muffle furnace. It was maintained at this temperature for an additional 2 h. After being cooled down, the resultant powders (about 300 mg) were ultrasonicated with deionized water, collected by filtration, and finally dried under vacuum at 60 \u00b0C. An aqueous solution of g-C3N4 (approximately 2.5 wt% g-C3N4) was prepared.\nSAC synthesis: A certain amount of NiCl2\u00b76H2O was dissolved in 2 mL of ethanol. The g-C3N4 powder (approximately 100 mg) was added to the above solution. The nominal weight percent of NiCl2\u00b76H2O to g-C3N4 is 2%. The mixture was stirred continuously overnight. The resulting mixture was centrifuged. The g-C3N4 powder was collected from the supernatant and dried under vacuum at 60 \u00b0C. The obtained sample was denoted as 'NiCl2/g-C3N4'.", + "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: 2.5 mmol of CoCl\u2082\u00b76H\u2082O (595 mg) was dissolved in 100 mL of EtOH. The mixture was heated at 60 \u00b0C in an oil bath for 0.5 h. 10 g of magnesium hydroxide was added to the mixture and stirred for another 2 h at 60 \u00b0C. Ethanol was removed by rotary evaporation, and the remaining solid was dried overnight under vacuum at 80 \u00b0C and finely ground. The powder was calcinated under a N\u2082 atmosphere (5 \u00b0C/min) at 700 \u00b0C for 2 h to obtain a black solid. The obtained solid was stirred with 10% HNO\u2083 solution at room temperature overnight to remove residual metal nanoparticles and MgO. The resulting solid was further washed with ultrapure water three times and ethanol once. Finally, the black solid was dried at 100 \u00b0C for 6 h.\nSAC synthesis: Synthesized using exactly the same approach as FeCo-DAC catalyst except that 2.5 mmol of CoCl\u2082\u00b76H\u2082O (595 mg) was dissolved in ethanol solution.", + "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: Iridium(III) acetylacetonate (97%) was dissolved in Ethanol (C2H6O, 99%).\nSAC synthesis: ZrO2-based catalysts were prepared via sol-gel method. Ethanol (10 mL), HNO3 (65 wt% in H2O, 8 mL) and H2IrCl6 solution (0.5 mmol L -1, 2.5 mL) were added to a 50 mL Teflon-lined autoclave containing 30 g of ZrO2. The mixture was sonicated for 30 min, then stirred at 100 \u00b0C for 24 h. The resulting gel was dried at 120 \u00b0C for 12 h and calcined at 400 \u00b0C for 4 h. Finally, the catalysts were obtained by reduced in H2 (10 vol% H2/Ar) at 400 \u00b0C for 4 h.", + "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: First, 1.0 g of melamine and 1.2 g of boric acid were added to 40 mL of deionized water with stirring for 30 min. Then, the solution was heated at 80 \u00b0C for recrystallization. After cooling down to room temperature, the obtained sample was centrifuged and washed several times using deionized water and ethanol, and dried in a vacuum oven at 60 \u00b0C overnight. The B-doped carbon nitride (BCN) samples were prepared by pyrolysis of melamine-borate complexes. For the synthesis of BC800, a mixture of melamine-borate complexes (5 g), including different molar ratios of boric acid to melamine (x = 0.01, 0.02, 0.03, 0.04), was placed in a crucible with cover under air and heated to 800 \u00b0C for 4 h at a rate of 5 \u00b0C/min. The yellow solid was collected and named as BC800x (x represents molar ratio of boric acid to melamine).\nSAC synthesis: To obtain the Pd SA/BC800 catalyst, the as-prepared BC800 powder was first dispersed into 100 mL of deionized water under sonication for 10 min. Then, a certain amount of palladium acetate solution was added to achieve a nominal weight loading of 0.5 wt%. The mixed solution was stirred continuously for 2 h. Then, the solution was filtered and washed repeatedly using deionized water to remove the superfluous Pd ion. Next, the resulting sample was dried in a vacuum oven at 60 \u00b0C overnight. Finally, the Pd SA/BC800 catalyst was obtained after further heat treatment at 500 \u00b0C for 2 h under Ar atmosphere.", + "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: The activated carbon (NORIT ROX 0.8) was first pretreated with 1-ethyl-3-methylimidazolium thiocyanate ([Emim]SCN, Sigma Aldrich, 99%) for 24 h.\nSAC synthesis: For the synthesis of Pd/AC-R catalysts, the as-obtained activated carbon (NORIT ROX 0.8, 1 g) was dispersed in 50 mL of deionized water under sonication. Next, a certain amount of HPdCl4\u00b76H2O solution was added dropwise to the activated carbon dispersion under vigorous stirring. After the mixture was dried overnight at 100 \u00b0C in an oven, it was further dried at 120 \u00b0C for 12 h and calcined at 500 \u00b0C for 5 h in air. Finally, the catalysts were obtained by reduced the dried powder in H2 (5 vol% H2/Ar) at 500 \u00b0C for 5 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." + }, + { + "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: 2,2'-bipyridinepalladium dichloride ethanol solution and Pluronic F127 in ethanol were introduced into the urea solution.\nSAC synthesis: The urea solution with intermediates was further pyrolyzed at 800 \u00b0C under Ar atmosphere to obtain Pd single atoms on N-doped carbon (NC800-TA).", + "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: The activated carbon (NORIT ROX 0.8) was first pretreated with 1-ethyl-3-methylimidazolium thiocyanate ([Emim]SCN, Sigma Aldrich, 99%) for 24 h.\nSAC synthesis: For the synthesis of Pd/AC catalysts, the corresponding metal salts (H2PdCl4\u00b76H2O) were added to a dispersion of activated carbon in water and the mixture was sonicated for 5 min. Subsequently, the mixture was dried at 110 \u00b0C by stirring and further calcined at 500 \u00b0C for 2 h under nitrogen.", + "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 N-doped carbon (NC) support was prepared by doping carbon with nitrogen using dicyanamide according to a previous report. [39] 2 g of carbon black (Ketjen Black EC 600JD, AkzoNobel) was mixed with 1 g of dicyanamide and heated at 80 \u00b0C for 5 h with constant stirring. Then, the mixture was dried at 100 \u00b0C in an oven overnight. The dried powder was ground with urea at a mass ratio of 1:10 and then heated again at 80 \u00b0C for 5 h. Finally, the powder was collected and named as NC(80).\nSAC synthesis: The Pd/NC catalyst was prepared by depositing Pd on the NC support at room temperature using a modified adsorption-deposition method. [40] Firstly, 200 mg of NC was dispersed in 50 mL of deionized water under magnetic stirring for 5 min. Then, a certain amount of H2PdCl4 solution (20 mM) was added dropwise to the above suspension under stirring for 1 h. After that, the mixture was filtered and washed twice with deionized water and then dried in vacuum at 50 \u00b0C. Finally, the dried powder was reduced in pure H2 (flow rate = 100 mL/min) at 200 \u00b0C for 1 h. The resultant powder was labeled as Pd/NC.", + "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: 1.5 g of commercial carbon black was dispersed in 20 mL of 9 M nitric acid solution and refluxed at 90 \u00b0C for 10 h, followed by washing, filtering, and freeze-drying. 1.0 g of the as-obtained oxidized carbon black powder was dispersed in 400 mL of Millipore-filtered water by tip-sonication for 60 min to prepare a homogeneous dispersion. Subsequently, 60 mL of NaBH4 (10 mg mL^-1) solution was added dropwise into the above suspension under vigorous stirring for a 0.72% metal loading. The as-obtained powder was thoroughly washed with water and freeze-dried before being used for further characterization.\nSAC synthesis: For comparative analysis, Pd/NC700-TA was prepared following the same procedure as Pd1/NC700-TA except that the as-obtained powder was treated with H2SO4 instead of HCl.", + "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: 0.5 g of cetyltrimethylammonium bromide (CTAB) was dissolved in 70 mL of a mixed solvent of water and methanol (1:1 by volume) in a thermostatic water bath at 30 \u00b0C. 5 mL of Co(CH3COO)2\u00b74H2O (0.3 M/L) aqueous solution was added to the above solution. After stirring for 30 min, a mixed solution containing 10 mL of 2-methylimidazole solution (1.2 M/L) and a certain amount of triethylamine (TEA) was added to the above solution and kept stirring for 4 h. The product was collected via centrifugation, washed with ethanol, and dried in a vacuum oven at 60 \u00b0C overnight.\nSAC synthesis: The mixture powder of ZnCo-ZIF-2.5 was placed in a tube furnace and then heated to 950 \u00b0C for 3 h at a ramp rate of 5 \u00b0C/min under flowing Ar gas, followed by cooling to room temperature naturally. Then, the as-obtained powders were further diluted with HCl to remove metal particles or clusters.", + "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: ZnO NS with diameter of \u2248 120 nm was prepared by sonochemical synthesis. Briefly, aqueous solutions of Zn(CH3COO)2\u00b72H2O (4.0 mmol) and triethylamine (TEA, 8.0 mmol) were mixed in 60 mL of water. After stirring for 30 min at room temperature, the mixture was transferred into a 100-mL Teflon-lined autoclave and heated at 140 \u00b0C for 5 h, then cooled down to room temperature. The product was centrifuged and washed with water and ethanol for several times, and dried in vacuum at 60 \u00b0C overnight. Then, the obtained powder was used as the starting material in the following hydrothermal synthesis. ZIF-8 NS with diameter of \u2248 120 nm was prepared by hydrothermal synthesis. Briefly, aqueous solution of Zn(NO3)2\u00b76H2O (4.0 mmol), 2-methylimidazole (16.0 mmol) and TEA (8.0 mmol) were mixed in 60 mL of water. After stirring for 30 min at room temperature, the mixture was transferred into a 100-mL Teflon-lined autoclave and heated at 140 \u00b0C for 5 h. Then, the product was centrifuged and washed with methanol and ethanol for several times, and dried in vacuum at 60 \u00b0C overnight. Finally, the powder was calcined at 950 \u00b0C for 2 h under N2 (50 cc min -1 ) atmosphere to obtain ZIF-8 NS. 3D porous N-doped carbon matrix (NC) was synthesized by pyrolysis of ZIF-8 NS under N2 atmosphere. Briefly, ZIF-8 NS was heated from room temperature to 900 \u00b0C with a heating rate of 5 \u00b0C min -1 and further annealed at 900 \u00b0C for 2 h under N2 flow (50 cc min -1 ). Then, the product was etched by aqueous solution of HCl (1 M, 30 mL) to remove Zn species, followed by washing with deionized water and ethanol for several times. Finally, the obtained powder was dried in vacuum at 60 \u00b0C overnight. Then, the powder was calcined again with the same condition as mentioned above. The final product was designated as NC.\nSAC synthesis: The synthesis procedure was similar to that of SA-Cu/NC except that the Cu content in the precursor solution was decreased to 0.5 wt%.", + "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: 20.0 g of melamine and 0.5 mol/L HCl at 100 \u00b0C for 6 h, followed by washing with ultrapure water and drying overnight at 60 \u00b0C in a forced air-drying oven.\nSAC synthesis: 2.0 g of dried melamine was heated to 550 \u00b0C (heating rate 10 \u00b0C/min) for 2 h under an Ar atmosphere, then cooled to room temperature naturally. The resulting yellow powder was designated as CN. Subsequently, 0.40 g CN was added into 40 mL of aqueous solution containing 20 mg of Co(NO3)2\u00b76H2O and stirred continuously for 12 h at 60 \u00b0C. After the suspension was filtered and centrifuged, the obtained precipitate was placed in a vacuum-drying oven at 60 \u00b0C for 8 h. Finally, the dried powder was heated again as described above. The final product was designated as Co-CN.", + "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: H2PdCl4\u00b76H2O (56.4 mmol/L) solution\nSAC synthesis: First, the commercially purchased aluminum powder (Aladdin, 99.98%) was reduced under inert atmosphere over a bed of NaBH4 (1 g) at 100 \u00b0C for 3 h. Then, a solution of H2PdCl4\u00b76H2O (56.4 mmol/L) was added dropwise to the reduced Al2O3 under inert atmosphere. After continuing stirring for another 2 h, the mixture was filtered and washed several times with deionized water and ethanol, respectively. The obtained sample was dried at 60 \u00b0C overnight and then calcined in air at 400 \u00b0C for 5 h. Finally, the Pd/Al2O3-NPs catalyst was obtained after further reducing the powder at 400 \u00b0C under 5% H2/Ar flow for 2 h.", + "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: 1.736 g of Ce(NO3)3\u00b76H2O (6 mmol) was dissolved in 10 mL of deionized water and then added to a solution of 19.7 g of NaOH (120 mmol) in 50 mL of deionized water. The mixed solution was stirred at room temperature for 30 min and then transferred into a Teflon-lined autoclave and maintained at 100 \u00b0C for 24 h. The precipitate was separated by centrifugation with deionized water and ethanol, and finally dried at 60 \u00b0C overnight. Then, the CeO2 support was obtained after calcination in air at 500 \u00b0C for 2 h.\nSAC synthesis: 200 mg of CeO2 was dispersed in a solution of 28.4 mL of deionized water and 0.2 mL of Na2CO3 (pH = 10). After adding 1 mL of Na2PtCl4 solution (Pt: 2 mg/mL), the mixture was stirred at room temperature for 2 h. The precipitate was separated by centrifugation with deionized water and ethanol, and finally dried at 60 \u00b0C overnight. Then, the Pt/CeO2-S catalyst was obtained after calcination in air at 500 \u00b0C for 2 h.", + "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, Co(NO3)2\u00b76H2O, and acetylacetonate salts of different metals (Ni, Fe, Cu, Mn) were dissolved in a mixed solution of ethanol and methanol. 2-methylimidazole was dissolved in another mixed solution of ethanol and methanol. Solution A (containing metal salts) was added to NaCl and mixed, followed by drying at 70\u00b0C for 8 h. Solution B (containing 2-methylimidazole) was added to the mixture and stirred at 80\u00b0C for 2 h to precipitate ZIF-8. The product was collected by centrifugation, washed with alcohol, and dried at 60\u00b0C for 10 h.\nSAC synthesis: The as-synthesized ZIF-8@metal powder was used directly as the Co single-atom (SAC)/N-doped carbon (N-C) catalyst.", + "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: 1.0 g of Al2O3 was dispersed in 10 mL of deionized water and the mixture was stirred for 20 min at room temperature. Then, a solution of NaOH (0.5 molL /C0 1 ) was added to achieve a pH of 8-8.5. After another 60 min of stirring, a solution of Na2CO3 (0.5 molL /C0 1 ) was added to obtain a pH of 9-10. The resulting mixture was aged for 12 h at room temperature. The solid was then isolated by filtration and finally dried at 120 8 C for 12 h. The as-synthesized support material was then calcined at 470 8 C for 4 h at a heating rate of 2 8 Cmin /C0 1, followed by reduction in flowing H2 (10 vol% H2/N2; 30 mLmin /C0 1 ) at 400 8 C for 2 h at a heating rate of 2 8 Cmin /C0 1.\nSAC synthesis: 0.25 g of the as-reduced support material was dispersed in 10 mL of deionized water under ultrasonication. Then, a solution of H2PtCl6.6H2O (0.015 molL /C0 1 ) was added to achieve a Pt loading of 0.5 wt%. The mixture was stirred for 24 h at room temperature. Finally, the catalyst was dried at 120 8 C for 12 h and reduced in flowing H2 (10 vol% H2/N2; 30 mLmin /C0 1 ) at 200 8 C for 2 h at a heating rate of 2 8 Cmin /C0 1.", + "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: 2.5 mmol of Fe(NO3)3\u00b79H2O (410 mg) was dissolved in 60 mL methanol as solution A. 10 mmol of 2-methylimidazole (570 mg) and 0.5 mmol of Zn(NO3)2\u00b76H2O (250 mg) were dissolved in 40 mL methanol as solution B. Solution A was then poured into solution B by stirring at room temperature for 24 h. The obtained product was then centrifuged and washed with methanol for three times and dried in vacuum at 60\u00b0C for overnight. SAC synthesis: The powder of Fe-Zn-ZIF 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 3 h under flowing argon gas and then naturally cooled to room temperature. Then the product was further diluted with HCl to remove metal particles.", + "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: 1.8 mmol of zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O, Sinopharm Chemical Reagent Co., Ltd.) was dissolved in 40 mL of methanol under stirring at room temperature for 5 min to form solution A. 0.9 mmol of cobalt nitrate hexahydrate (Co(NO3)2\u00b76H2O, Sinopharm Chemical Reagent Co., Ltd.) and 0.3 mmol of chloroplatinic acid hexahydrate (H2PtCl6\u00b76H2O, Sinopharm Chemical Reagent Co., Ltd.) were dissolved in 20 mL of methanol under stirring at room temperature for 5 min to form solution B. Solution A was then added into solution B. The mixed solution was then vigorously stirred at 100 \u00b0C for 24 h. After cooling down to room temperature, the product was collected by centrifugation and washed with ethanol three times, and then dried at 60 \u00b0C overnight. ZnCoPt-ZIF was obtained when the mixture was heated up to 180 \u00b0C.\nSAC synthesis: The as-obtained powder was placed in a tube furnace and annealed at 950 \u00b0C for 2 h under N2 atmosphere.", + "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: 20 mmol of 1-butyl-3-methylimidazolium chloride and 20 mmol of Al(NO3)3 \u00b7 9H2O were weighed and dissolved into 30 mL of deionized water. The solution was stirred using a magnetic stirrer for 20 minutes at room temperature. Then 60 mL of (NH4)2CO3 (1 mol/L) solution were dropped into the above solution slowly to form a condensed white slurry. Next, the slurry was transferred into a 100 mL stainless autoclave. The autoclave was sealed and placed into the oven at 120 \u2103 for 12 h. After the autoclave cooled down to room temperature, the sediment was washed with ethanol and deionized water three times, then the sediment was dried at 60 \u2103 for 10 h. Finally, amorphous mesoporous Al2O3 was obtained.\n\nSAC synthesis: The identical procedure was employed to prepare the catalyst of 4.5Fe-based catalysts as 4.5Fe-Al2O3 except the difference of supports. The catalyst was denoted as 4.5Fe/ZSM-5.", + "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: Zn(NO3)2\u00b76H2O (5.58 g), C10H14SnO4 (7.707 g), and MnSO4\u00b7H2O (0.56 g) were dissolved in 150 mL methanol as solution A. 2-Methylimidazole (6.16 g) was dissolved in another 150 mL methanol as solution B. Solution B was added to solution A drop by drop. The mixed solution was stirred for 24 h, centrifuged, washed with methanol, and dried at 60 \u2103 in vacuum for 6 h.\nSAC synthesis: SnNP/Sn-N/O-C, Sn-N/O-C, and N/O-C catalysts were prepared by one-step pyrolysis of NH2-MOF-Zn-Sn (NH2-BDC/Melamine=7:1), NH2-MOF-Zn-Sn & Melamine-Zn O-C, and NH2-MOF-Zn & Melamine-Zn O-C at 900 \u2103 under Ar for 3 h, respectively.", + "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: 40 mL of ethanol and 20 mL of water were stirred for 2 min at 25 \u2103. 2.5 mL of ammonia was added to the mixed solution and stirred for 10 min. 1 mL of TEOS was added into the mixture and reacted for 4 h under Ar atmosphere. The SiO2 nanospheres were obtained by centrifugation, washed with H2O and ethanol three times, and dried in a vacuum oven at 60 \u2103 overnight. The as-obtained SiO2 nanospheres with diameters of about 22 nm were dispersed in 10 mL of H2O. 3 mL of hydroxypropyl cellulose (10 mg/mL) was added to the dispersion and stirred for 10 min. 20 mg of dopamine hydrochloride was dissolved in 2 mL of deionized water, and then added into the dispersion under stirring. After reaction for 8 h, SiO2@PDA was obtained by centrifugation and washed with deionized water three times. SAC synthesis: The as-obtained SiO2@PDA was annealed at 900 \u2103 for 2 h under Ar atmosphere to obtain SiO2@Fe-N-C. Then, SiO2@Fe-N-C was immersed in 10 mL of 5 M NaOH solution for 2 h. The products were collected by centrifugation and further washed with deionized water several times until pH became neutral. Finally, the product was dried in a vacuum oven at 60 \u2103 overnight.", + "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: Firstly, ZIF-8 was prepared by quickly pouring a 20 ml methanol solution containing 1.97 g Zn(NO3)2\u00b76H2O into another 20 ml methanol solution of 2-methylimidazole (1.46 g) while stirring. The mixture was stirred for 5 h at room temperature. Then the white precipitate was centrifuged and washed with methanol three times and dried in vacuum at 60\u00b0C. Next, the obtained ZIF-8 powder was pyrolyzed at 950 \u00b0C for 30 minutes under an argon atmosphere in a tube furnace. The resulting black powder was then etched with 3M HCl to remove Zn species. After washing thoroughly with water and drying overnight at 70 \u00b0C, the obtained sample is NC(MP). Then, 100 mg of as-prepared NC(MP) was transferred into a 20 ml ethanol solution containing 100 mg copper phthalocyanine (CuPc) and sonicated for 3 hours. The mixture was stirred for 2 h at room temperature. Then the green paste was centrifuged and dried in vacuum at 60\u00b0C. Finally, the powder was pyrolyzed at 900 \u00b0C for 30 minutes under an argon atmosphere in a tube furnace. The resulting black powder was named P-CuPc/NC(MP).", + "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: 2.0 g of 2-methylimidazole and 200 mg phenanthroline (Phen) were dissolved in 40 mL methanol to form a clear solution at 60 \u2103 in a reflux system. 60 mg of iron nitrate nonahydrate (Fe(NO3)3\u00b79H2O) and 1.8 g zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O) were dissolved in 10 mL methanol to form a transparent solution. The two solutions were mixed and stirred for 24 h at room temperature. The obtained sample was separated by centrifugation, washed with methanol three times, and dried overnight under vacuum at 60 \u2103. Finally, the Fe-ZIF-8/Phen precursor was obtained.\nSAC synthesis: The as-obtained precursor was heated at 950 \u2103 for 1 h under Ar flow in a tube furnace. Then, acid leaching treatment in 0.5 M H2SO4 solution at 80 \u2103 for 4 h was carried out to remove unstable species. After that, the basic treatment at 80 \u2103 for 4 h using NaOH solution was implemented to obtain the final product of Fe-N/C-SAC.", + "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: 1,3,5-Tris(4-aminophenyl)benzene (55 mg, 0.16 mmol) and terephthaldehyde (31 mg, 0.23 mmol) were mixed into a dioxane/mesitylene solution (6.3 mL, v/v = 4:1) and heated to 70 \u00b0C until the two precursors were completely dissolved. Next, distilled H2O (1.2 mL) was added to the solution under sonication. The resulting suspension was sealed and heated to 70 \u00b0C for 72 h. The resultant yellow product was collected by filtration, rinsed with toluene several times, and dried under vacuum.\nSAC synthesis: Fe NP/Fe SA -NSC was prepared by the same method as NSC except that Fe(NO3)3\u00b79H2O was used instead of Cu(NO3)2\u00b73H2O.", + "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: 1.32 mL of 16 mg mL-1 K2PdCl4 solution was introduced to 100 mg of opened SWCNTs.\nSAC synthesis: Single-wall carbon nanotubes (SWCNTs) (Tuball \u2122 ) were purchased from OCSiAl, with an average diameter of 1.6 nm and length >5 \u03bcm. The as-received (ar) samples (directly purchased from the manufacturer) were used for the experiments. To remove any metal impurities in the nanotubes, the as-received samples were first treated in concentrated HCl at 80\u00b0C for 12 h, then filtered by deionized water several times, and dried in a vacuum oven overnight. These samples were then used as-is for the wet chemistry experiments.", + "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: The non-ordered mesoporous TiO2 film was prepared by the hydrothermal method. In detail, 10 mL of the titanium isopropoxide solution (50%) and 30 mL of the hydrofluoric acid solution (47%) were mixed in a Teflon autoclave with a capacity of 50 mL and stirred for 24 h at 180 \u00b0C. After cooling down to room temperature, the white precipitate was separated by high-speed centrifugation and washed with deionized water and ethanol several times. Finally, the non-mOPs/TiO2 film was obtained after drying at 60 \u00b0C under vacuum.\nSAC synthesis: Pt was deposited on the non-ordered non-mOPs/TiO2 film by ALD (Savannah 100, Cambridge Nanotechnology Inc., USA) using trimethyl(methylcyclopentadienyl)-platinum (IV) (MeCpPtMe3) as the precursor. High purity N2 (99.9995%) was used as the carrier gas at a flow rate of 200 ml min -1. The Pt precursor was heated to 65 \u00b0C to get a sufficient vapor pressure. The reactor inlets were held at 110 \u00b0C to avoid any condensation. The Pt deposition was carried out at 250 o C. The time sequence of one cycle Pt ALD was 15 s and 30 s for the MeCpPtMe3 exposure and N2 purge respectively. Subsequently, the Pt single atoms decorated non-ordered non-mOPs/TiO2 film was further used as the support to load 1% of MoO3 via ALD using Mo(CH3)3 (Sigma Aldrich, 99%) and O2 (UHP, Airgas) as the precursors. The ALD process was performed at 300 o C. The time sequence of one cycle Mo ALD was 15 s and 30 s for the precursor exposure and N2 purge respectively. Finally, the sample was reduced at 100 o C under 5% H2 and 95% Ar for 1 h before conducting the following characterization.", + "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: The nanoporous (Ni0.74Fe0.26)3P (np-NiFeP) was synthesized using a modified hydrothermal precipitation method.\nSAC synthesis: The Pt was deposited on np-NiFeP by the cyclic voltammetry method using a standard three-electrode system (CHI 660E, Shanghai CH Instruments). The deposition was conducted at 25 \u00b0C for 200 s with a Pt precursor solution consisting of 10 mM H2PtCl6 and 1 M KOH. A saturated calomel electrode was used as the reference electrode and Ag/AgCl electrode as the counter electrode. The samples were obtained by 10, 20, 30, and 40 scans. These correspond to the deposition of Pt on the active sites of NiFeP, Pt/NiFeP-200-10, Pt/NiFeP-200-20, Pt/NiFeP-200-30, and Pt/NiFeP-200-40.", + "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: The synthesis of defect-enriched graphene sheets is mentioned, but the exact steps are not clear due to the corruption of the text. It likely involves chemical vapor deposition and subsequent processing steps.\nSAC synthesis: The synthesis of FeSA/N-DG involves the loading of Fe as a single atom (FeSA) onto the N-doped graphene support. The exact steps are not clear due to the corruption of the text, but it likely involves a solution phase method followed by drying and high-temperature treatment.", + "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: Platinum acetylacetonate (Pt(acac)2), Iron (III) acetylacetonate (Fe(acac)3), and Tungsten hexacarbonyl (W(CO)6) were prepared.\nSAC synthesis: The above-obtained Pt/A-Fe2O3 materials were then annealed in a glass tube furnace at 700 \u00b0C for 5 h in Ar condition and then collected the products for characterization.", + "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: 0.5 g of cetyltrimethylammonium bromide (CTAB) was dissolved in 70 mL of a mixed solvent of water and methanol (1:1 by volume) in a thermostatic water bath at 30 \u00b0C. 5 mL of Co(CH3COO)2\u00b74H2O (0.3 M/L) aqueous solution was added to the above solution. After stirring for 30 min, a mixed solution containing 10 mL of 2-methylimidazole solution (1.2 M/L) and a certain amount of triethylamine (TEA) was added to the above solution and kept stirring for 4 h. The product was collected via centrifugation, washed with ethanol, and dried in a vacuum oven at 60 \u00b0C overnight.\nSAC synthesis: The mixture powder of ZnCo-ZIF-2.5 was placed in a tube furnace and then heated to 900 \u00b0C for 3 h at a ramp rate of 5 \u00b0C/min under flowing Ar gas, followed by cooling to room temperature naturally. Then, the as-obtained powders were further diluted with HCl to remove metal particles.", + "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: 1,3,5-Tris(4-aminophenyl)benzene (55 mg, 0.16 mmol) and terephthaldehyde (31 mg, 0.23 mmol) were mixed into a dioxane/mesitylene solution (6.3 mL, v/v = 4:1) and heated to 70 \u00b0C until the two precursors were completely dissolved. Next, distilled H2O (1.2 mL) and glacial CH3CO2H (1.8 mL) were successively added to the solution under sonication. The resulting suspension was sealed and heated to 70 \u00b0C for 72 h. The resultant yellow product was collected by filtration, rinsed with toluene several times, and dried under vacuum.\nSAC synthesis: Fe NP/Fe SA -NSC was prepared by the same method as NSC except that Fe(NO3)3\u00b79H2O (10 mg) was added into the precursor solution.", + "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: None.\nSAC synthesis: 1 g of silica with a mesh size of 200 was added into a three-port flask (200 mL) containing anhydrous lithium chloride (LiCl, 99%) and anhydrous zinc acetate (Zn(CH3COO)2\u00b72H2O, 98%). The mixture was then dried at 105 \u00b0C for 6 h under stirring. Afterwards, the obtained powder was calcined at 700 \u00b0C for 2 h in air to obtain Zn-Li-Si mixed salt. Then, the Zn-Li-Si mixed salt was added into a two-port flask (200 mL) containing copper nitrate trihydrate (Cu(NO3)2\u00b73H2O, 99%) and agarose (Agar, 98%). The mixture was then dried at 105 \u00b0C for 6 h under stirring. Afterwards, the obtained powder was calcined at 900 \u00b0C for 2 h in air to obtain Ag -Cu/Zn-Li-Si composite salt. Finally, the Ag -Cu/Zn-Li-Si composite salt was added into a three-port flask (200 mL) containing hydrochloric acid (HCl, 36-38%) and hydrofluoric acid (HF, 40%) with a volume ratio of 1:1. The mixture was then dried at 105 \u00b0C for 6 h under stirring. Afterwards, the obtained slurry was transferred to a Teflon-lined autoclave (200 mL) and kept at 180 \u00b0C for 2 h. After cooling down, the dark green composite salt was collected by centrifugation and then dried at 60 \u00b0C overnight in a vacuum oven. The composite salt was then calcined at 900 \u00b0C for 2 h in Ar to obtain the final product of Cu SA/ZnO@SiO2.", + "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 Pd/SiO2 catalyst was synthesized by the wet impregnation method. Firstly, 30.2 mg of Pd(acac)2 (Pd(acac)2 dissolved in acetylacetone) (Sinopharm Chemical Reagent Co., Ltd.) and 1 g SiO2 (Sinopharm Chemical Reagent Co., Ltd.) were added to a 100 mL flask and stirred at 25 \u00b0C for 24 h. Then, the solution was evaporated at 60 \u00b0C under stirring and further dried at 110 \u00b0C for 12 h. Finally, the dried sample was calcined at 300 \u00b0C under 10% O2 in Ar for 3 h, followed by reduction at 150 \u00b0C under 10% H2 in Ar for another 0.5 h to obtain the Pd/SiO2 catalyst.", + "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, Co(NO3)2\u00b76H2O, and acetylacetonate salts of different metals (Ni, Fe, Cu, Mn) were dissolved in a mixed solution of ethanol and methanol. 2-methylimidazole was dissolved in another mixed solution of ethanol and methanol. Solution A (containing metal salts) was added to NaCl and mixed, followed by drying at 70\u00b0C for 8 h. Solution B (containing 2-methylimidazole) was added to the mixture and stirred at 80\u00b0C for 2 h to precipitate ZIF-8. The product was collected by centrifugation, washed with alcohol, and dried at 60\u00b0C for 10 h.\nSAC synthesis: The as-synthesized ZIF-8@metal powder was used directly as the Co single-atom (SAC)/N-doped carbon (N-C) catalyst.", + "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: 1.5 g of cobalt nitrate hexahydrate and 1 g of polyvinylpyrrolidone were dissolved in a mixture of ethanol (20 mL) and deionized water (40 mL), then urea (3 g) was added to the solution, and it was continued by heating at 80 \u00b0C for 6 h, after cooling down to room temperature, the product was centrifuged and collected.\nSAC synthesis: The precipitate was dried at 60 \u00b0C overnight under vacuum, and then calcined at 900 \u00b0C for 2 h under Ar atmosphere.", + "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: 2.9 g Zn(NO3)2\u00b76H2O was dissolved in 150 mL methanol to prepare solution A. 9.6 g 2-methylimidazole was dissolved in 150 mL methanol to prepare solution B. Solution A was added to solution B and kept stirring for 12 h at room temperature. After centrifugation, the final product was dried at 60 \u00b0C for 5 h. 100 mg ZIF-8 was added into 50 mL methanol solution containing 100 mg phytic acid solution, which was stirred in an oil bath at 45 \u00b0C for 2 h. After filtration, the black solid was placed in an oven at 60 \u00b0C and dried for 8 h. Then, the black solid was heated at 950 \u00b0C for 30 min in a tubular furnace with a heating rate of 5 \u00b0C min-1 under flowing Ar atmosphere. After cooling to room temperature, the product ZnN4/P-C was obtained.", + "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: In a typical procedure, 10.0 g of melamine and 2.5 g of XC-72R (Ketjen black) were dissolved in 80 mL of ethanol with stirring for 30 min. The mixture was dried at 60 \u00b0C under vacuum. Then the dried powder was annealed at 900 \u00b0C for 2 h under Ar atmosphere. After cooling down to room temperature, the product was ground into powder.\nSAC synthesis: For comparison, Zn-N-C sample was prepared by using Zn(OAc)2 as precursors. Other parameters were adopted as the same as mentioned above.", + "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: The synthesis of GR was not explicitly detailed in the provided text. However, it is mentioned that a solution-based method was used to prepare mixed transition metal nitride MXenes, MTi 3 C 2 T x (M = V or Cr).\nSAC synthesis: The synthesis procedure for Zn SA/GR is similar to the one reported for Co SA/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: 2.9 g Zn(NO3)2\u00b76H2O was dissolved in 150 mL methanol to prepare solution A. 9.6 g 2-methylimidazole was dissolved in 150 mL methanol to prepare solution B. Solution A was added to solution B and kept stirring for 12 h at room temperature. After centrifugation, the final product was dried at 60 \u00b0C for 5 h. 100 mg ZIF-8 was added into 50 mL methanol solution containing 100 mg phytic acid solution, which was stirred in an oil bath at 45 \u00b0C for 2 h. After filtration, the black solid was placed in an oven at 60 \u00b0C and dried for 8 h. Then, the black solid was heated at 950 \u00b0C for 30 min in a tubular furnace with a heating rate of 5 \u00b0C min-1 under flowing Ar atmosphere. After cooling to room temperature, the product ZnN4/P-C was obtained.", + "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: 1.0 g of chitosan was dispersed in 100 ml of deionized water and continued stirring for 60 min.\nSAC synthesis: Then, 0.3 mmol of NiCl2 was added to the mixed solution and kept stirring for 3h. Subsequently, the mixture solution was completely dried at 60 \u00b0C and ground to a powder. Pyrolysis carbonization of powder at 750 \u00b0C for 4h with a ramp of 5 \u00b0C/min under high purity argon atmosphere. The final product was named as Ni-N-CNSs.", + "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: 2.9 g Zn(NO3)2\u00b76H2O was dissolved in 150 mL methanol to prepare solution A. 9.6 g 2-methylimidazole was dissolved in 150 mL methanol to prepare solution B. Solution A was added to solution B and kept stirring for 12 h at room temperature. After centrifugation, the final product was dried at 60 \u00b0C for 5 h. 100 mg ZIF-8 was added into 50 mL methanol solution containing 100 mg FeCl3 to prepare solution C. The mixture of solution B and solution C was stirred for 12 h at room temperature. After centrifugation, the final product was dried at 60 \u00b0C for 5 h. The products were denoted as Fe-ZIF-8. SAC synthesis: The Fe-ZIF-8 was heated to 900 \u00b0C with a heating rate of 5 \u00b0C min-1 and kept at room temperature for 2 h under flowing argon gas. Then, the Fe-ZIF-8-derived powder was added into 2.5 M H2SO4 solution and stirred for 8 h at 80 \u00b0C. After filtration, the final product was dried at 60 \u00b0C overnight. The products were denoted as Pt/Fe-ZIF-8-SAC.", + "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: 0.1 g of ZIF-8 is added to 10 mL of 0.01 M H2PtCl6 solution and stirred for 12 h at room temperature.\nSAC synthesis: The mixture is then dried at 80 \u00b0C for 12 h. The dried product is calcined at 900 \u00b0C for 2 h under an Ar atmosphere with a heating rate of 5 \u00b0C min\u22121.", + "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: H2PtCl6\u00b76H2O (0.1 g mL-1)\nSAC synthesis: The same procedure was used for synthesis of Pt1/Vulcan-C by using 2 \u03bcL H2PtCl6\u00b76H2O (0.1 g mL-1) instead of 10 \u03bcL H2PtCl6\u00b76H2O (0.1 g mL-1).", + "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: 2.32 mg tetraammineplatinum (II) nitrate (TAPN, 98%) was dissolved in 1 mL deionized water to form a Pt(NH3)4 solution. 10 mg ZIF-8 was added to the Pt(NH3)4 solution and ultrasonicated for 5 min. The mixture was dried at room temperature overnight.\nSAC synthesis: The dried sample was calcined in air at 600 \u00b0C for 2 h.", + "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: 1.64 g of 2-methylimidazole was dissolved in 200 mL of methanol, which was subsequently added into 200 mL of methanol containing 1.19 g of Zn(NO3)2\u00b76H2O and 2.4 mL of 1-methylimidazole. The mixed solution was then vigorously stirred at room temperature for 24 h. The obtained white precipitate was centrifuged and washed with ethanol three times and dried in vacuum at 60 \u00b0C overnight. The dried powder (ZIF-8) was used as the precursor to synthesize F-doped ZIF-8.\nSAC synthesis: In a typical procedure, 50 mg of F-doped ZIF-8 was added into 20 mL of methanol and ultrasonically treated for 10 min to form a homogeneous solution. Then, 20 mg of NiCl2\u00b76H2O was added into the above mixture and stirred for 12 h at room temperature. After that, the mixture was collected by centrifugation and washed twice with methanol and then dried in vacuum at 60 \u00b0C overnight. Finally, the dried powder was placed in a tube furnace and annealed at 950 \u00b0C for 3 h under flowing argon gas.", + "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 Ag/SiO2 catalyst was synthesized by the incipient wetness impregnation method. Firstly, spherical SiO2 was synthesized using the St\u00f6ber method. [1] Then, the appropriate amount of silver nitrate (AgNO3) was dissolved in deionized water and added to the silica support. The mixture was dried at 80\u00b0C for 12 hours and then calcined at 500\u00b0C for 3 hours in air. The resulting catalyst was denoted as Ag/SiO2-X, where X is the nominal weight percentage of Ag in the catalyst.", + "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: None.\nSAC synthesis: The series of catalysts (Pd1/SiO2, Rh1/SiO2, PdRh1/SiO2) were prepared by reduction with NaBH4 and the molar ratio of metal to SiO2 was kept as 0.5. Metal precursors (Pd(NO3)2\u00b72H2O, RhCl3\u00b7xH2O) were added into a 50 mL Teflon-lined autoclave containing 25 mL of deionized water and 25 mL of ethanol. After stirring for 10 min, 0.5 mmol of NaBH4 solution was added. Then, the autoclave was heated at 180 \u00b0C for 6 h. Finally, the catalysts were filtered and washed with deionized water and ethanol.", + "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: None.\nSAC synthesis: 1 g of SiO2 was added to a solution of 50 mL of water and 7.5 mL of NH3 (28%). The mixture was stirred at room temperature for 5 min, then a solution of 25 mL of water and 3.75 mL of NH3 (28%) was added slowly over 2 h under vigorous stirring. After complete addition, the reaction mixture was allowed to stand at room temperature for 12 h without agitation. The solid product was separated by centrifugation and dried in air at room temperature for 12 h. Finally, the powder was calcined at 550 \u00b0C for 4 h at a ramping rate of 2 \u00b0C/min.", + "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 PAN (MW = 150,000) was dissolved in 10 mL of N, N-Dimethylformamide (DMF) with continuous stirring for 12 h under room temperature. 0.75 g of DCDA and 0.375 g of C6H12N4 were dissolved in another 10 mL of DMF with continuous stirring for 12 h under room temperature. The above two solutions were mixed to form a homogeneously dispersed solution.\nSAC synthesis: The homogeneously dispersed solution was loaded into a syringe (20 mL) with a steel needle. During the electrospinning process, the high voltage was fixed at 14 kV, the feeding rate was 0.3 mL h-1, and the distance between the collector and needle was 16 cm. The collected nanofibers were dried at 70 \u00b0C in vacuum for 12 h. The nanofibers were placed on a quartz boat in a tube furnace and annealed at 260 \u00b0C for 2 h in air, 500 \u00b0C for 2 h in argon, and 900 \u00b0C for 2 h in helium at a flow rate of 50 sccm. The final product was named as Co-N4/HCNFs.", + "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: PVP (2 g) was dissolved in 20 mL DMF by magnetic stirring for 6 h under room temperature as the electrospinning solution. The electrospinning process was operated on an electrostatic spinning machine (YFSP-T, Tianjin Yunfan Technology Co., Ltd.). The resulting solution was transferred into a 10 mL syringe with a stainless-steel syringe needle. A positive voltage of 14 kV was supplied to the needle. The feeding rate, operating temperature, and distance between needle and collector of tinfoil were set at 1.5 mL h^-1, 30 \u00b0C, and 16 cm, respectively. The obtained electrospinning membrane moved into a vacuum oven to remove the solvent at 100 \u00b0C for 12 h.\nSAC synthesis: CoCl2\u00b76H2O (0.6 g mL^-1, 5 wt%) was dispersed in ethanol (10 mL). NiCo-NFs/CNFs was placed in the CoCl2 solution. The mixture was transferred into an ultrasonic bath and kept ultrasonic for 6 h. After that, it was filtered and dried in a vacuum oven at 80 \u00b0C for 12 h. Finally, the sample was pyrolyzed at 900 \u00b0C under a heating rate of 5 \u00b0C min^-1 and kept at this temperature for 3 h in flowing Ar to obtain Co-NFs/CNFs.", + "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: The porous carbon (PC) samples were prepared using a one-step pyrolysis technique of potassium citrate at 800 \u00b0C for 1 h under an argon atmosphere. Then, the black solid powder was washed with H2SO4 solution (0.5 M) and water to remove inorganic impurities until the supernatant became neutral. After drying overnight at 60 \u00b0C, the PC samples were achieved.\nSAC synthesis: For the synthesis of Fe-NC SACs, 15 mg of as-prepared PC, 3 mg of iron phthalocyanine (FePc), and 15 mg of melamine were added into a mixture of 2 mL of ethanol and 1 mL of acetic acid, followed by sonicating for 5 min. Then, the homogeneous ink was transferred into a Teflon-lined stainless-steel autoclave and reacted at 180 \u00b0C for 6 h. Finally, the Fe-NC SACs were obtained after drying at 60 \u00b0C overnight.", + "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: 0.868 g (2.57 mmol) of In(NO\u2083)\u2083\u00b74.5H\u2082O was dissolved in 10 mL of hot water and stirred for 30 min at room temperature. Then, 0.36 g (1.90 mmol) of NaOH was added to the solution and stirred for another 30 min. After that, 0.15 g (0.98 mmol) of Na\u2082CO\u2083 was added to the solution under vigorous stirring for 1 h. The resulting mixture was transferred into a 50 mL Teflon-lined autoclave and hydrothermally treated at 180 \u00b0C for 12 h. After cooling down to room temperature, the precipitate was collected by centrifugation and washed with distilled water until pH = 7. Finally, the resulting powder was dried at 60 \u00b0C overnight.\nSAC synthesis: Aux/LaFeO3/MCF was prepared using the same procedure as the previous method, but changing the metal precursor with HAuCl\u2084\u00b7xH\u2082O.", + "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: 10.5 mg H\u2082PtCl\u2086\u00b7xH\u2082O, 25.4 mg K\u2082IrCl\u2086\u00b76H\u2082O, or 8.3 mg PdCl\u2082\nSAC synthesis: The metal precursors (PdCl\u2082) were added to cyanamide or to the mixture of cyanamide and colloidal silica in the synthesis of MCN.", + "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: 10.5 mg H\u2082PtCl\u2086\u00b7xH\u2082O, 15.4 mg K\u2082IrCl\u2086\u00b76H\u2082O, or 8.3 mg PdCl\u2082\nSAC synthesis: The metal precursors (PdCl\u2082) were added to cyanamide or to the mixture of cyanamide and colloidal silica in the synthesis of MCN.", + "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: 20 mg of Pd(acac)2, 0.15 g of MoO3, and 0.75 g of AA were dissolved in 8 mL of OAm and sonicated for 1 h to obtain a brownish-yellow solution. The reaction was carried out in an oil bath at 413 K for 2 h, cooled to room temperature. Three times cleaning with hexane and ethanol, and then dried under vacuum at 353 K for 12 h. Finally, the powder was ground and calcined in air at 673 K for 2 h. The resulting product is designated as Pd\u2081/Mo\u2082CT\u2093 (Pd\u2081/Mo\u2082C with surface area of 194 m\u00b2\u00b7g\u207b\u00b9).\nSAC synthesis: In a typical procedure, 100 mg of Mo\u2082CT\u2093 and 30 mg of Pd\u2081/Mo\u2082CT\u2093 were dispersed into 10 ml of N,N-dimethylformamide (DMF), and ultrasonicated for 30 min to get a homogeneous suspension. Then, a certain amount of NaBH\u2084 (1.5 mg) was added and stirred for 30 min. After that, the mixture was translated into a Teflon-lined autoclave and translated up to 180 \u00b0C. After reacting for 2 h, the mixture was translated into a centrifuge tube and centrifuged twice at 10000 rpm for 5 min. Then, the precipitate was translated into a drying oven and dried at 35 \u00b0C for 12 h.", + "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-Dimethylimidazole (5.65 g) and LUDOX\u00aeAS-40 colloidal silica (1 mL) are added in deionized water (80 mL) with magnetic rabbling for 1 h at room temperature. Zn(NO3)2\u00b76H2O (0.362 g), and then cetyltrimethyl ammonium bromide (CTAB, 0.01 g) are dissolved into 2-dimethylimidazole solution (10 mL). The obtained solution is added dropwise to the other 2-dimethylimidazole solution under rabbling. The mixed solution is transferred into a 50 \u00b0C water bath and kept stirring for 24 h. The precipitate is separated by centrifugation and washed with ethanol three times. The zeolitic imidazolate framework (ZIF-8) product is dried at 60 \u00b0C overnight. The ZIF-8 powder is heated to 900 \u00b0C in 3 h and maintained at this temperature for 3 h under Ar atmosphere. The resulting N-doped carbon matrix (PDM) is dispersed in 2 M HCl solution and refluxed at 80 \u00b0C for 12 h to remove the silica template. After filtration, thorough washing with water, and drying at 60 \u00b0C, the final PDM sample is achieved.\nSAC synthesis: The PDM (100 mg) and palladium acetate (10 mg) are dispersed in ethanol (20 mL) with intense sonication for 10 min. Then, the mixture is stirred continuously for 24 h at room temperature. The precipitate is separated by centrifugation and dried in vacuum oven at 60 \u00b0C overnight. The dried powder is heated to 300 \u00b0C in 3 h and maintained at this temperature for 3 h under Ar atmosphere. The Pd-NPs/PDM sample is 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: 0.5 g of cetyltrimethylammonium bromide (CTAB) was dissolved in 70 mL of a mixed solvent of water and methanol (1:1 by volume) in a thermostatic water bath at 30 \u00b0C. 5 mL of Co(CH3COO)2\u00b74H2O (0.3 M/L) aqueous solution was added to the above solution. After stirring for 30 min, a mixed solution containing 10 mL of 2-methylimidazole solution (1.2 M/L) and a certain amount of triethylamine (TEA) was added to the above solution and kept stirring for 4 h. The product was collected via centrifugation, washed with ethanol, and dried in a vacuum oven at 60 \u00b0C overnight.\nSAC synthesis: The mixture powder of ZnCo-ZIF-2.5 was heated to 900 \u00b0C in 3 h and then maintained at this temperature for 3 h under Ar atmosphere. The obtained sample was soaked in 1 M HCl aqueous solution for about 12 h at room temperature. The suspension was centrifuged and washed with deionized water several times. The final product was dried in a vacuum oven at 60 \u00b0C overnight.", + "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 graphite carbon nitride carrier was synthesized by thermal polymerization of melamine in a high-temperature tube furnace.\nSAC synthesis: In a typical procedure, 10.0 g of melamine and 4.0 g of potassium perchlorate were dissolved in 80 mL of deionized water under vigorous stirring for 30 min. The above solution was transferred to a Teflon-lined autoclave at 200 \u00b0C for 12 h. Then, the obtained white precipitates were centrifuged and washed with deionized water several times and dried in a vacuum oven at 60 \u00b0C overnight. Finally, the dried powder was calcined at 550 \u00b0C for 4 h in a high-temperature tube furnace. The final product was denoted as SA-Co/Graphite sheets.", + "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: Indium (III) nitrate hydrate (In(NO3)3\u00b7xH2O) was purchased from Sigma-Aldrich. Dicyandiamide (C2H4N4) was purchased from Sigma-Aldrich. D (+)-Glucose (C6H12O6) was purchased from Merck KGaA.\nSAC synthesis: In the typical procedure for the synthesis of In single atom/polymeric carbon nitride nanosheets, 0.25 g glucose and 5 g dicyandiamide were grinded in an agate mortar. The obtained mixture was placed in a crucible with a cover under ambient conditions and heated up to 600 \u00b0C at a rate of 5 \u00b0C min^-1 in the furnace and maintained at this temperature for 4 h. After cooling down to room temperature, the resultant powder (5 g) was collected and grinded in an agate mortar. Then, the as-obtained powder was soaked into an aqueous solution of 1 M HCl for 8 h to remove any possible metal impurities first, then thoroughly cleaned by deionized water and dried at 80 \u00b0C overnight. Finally, the sample was collected and grinded in an agate mortar. For the preparation of In single atoms/PCN-750 samples, the as-prepared InSA/CNs were subjected to further pyrolysis at 750 \u00b0C under Ar atmosphere for 1 h at a rate of 5 \u00b0C min^-1.", + "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: Tin chloride hydrate (SnCl4\u00b7xH2O) was purchased from Sigma-Aldrich. Dicyandiamide (C2H4N4) was purchased from Sigma-Aldrich. D (+)-Glucose (C6H12O6) was purchased from Merck KGaA.\nSAC synthesis: To a 5 mL vial containing a glucose molecule, 0.25 M SnCl4 and 2.5 M C2H4N4 were added. The resulting mixture was sonicated for 30 min to obtain a homogeneous solution. The solution was then heated at 90 \u00b0C for 24 h. After cooling down to room temperature, the solid precipitate was collected by centrifugation and washed with water three times. Finally, the product was dried in an oven at 70 \u00b0C overnight.", + "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: Fe(OAc)2\u00b74H2O\nSAC synthesis: 40 mg of PCN was dispersed in 10 mL of ethanol. Then, 100 \u03bcL of DMF solution containing Fe(OAc)2\u00b74H2O (0.8 mg of Fe 2+ ) was added. The resulting suspension was gently stirred and kept at 80 \u2103 for 6 h. Afterward, the suspension was centrifuged, washed with ethanol, and dried at 70 \u2103. The dry powder was annealed at 400 \u2103 under an Ar atmosphere with a heating rate of 5 \u2103 min -1 and maintained at this temperature for 2 h. The resulting sample is named PCN/Fe-OAc.", + "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: Co(OAc)2\u00b74H2O\nSAC synthesis: 40 mg of PCN was dispersed in 10 mL of ethanol. Then, 100 \u03bcL of DMF solution containing Co(OAc)2\u00b74H2O (0.8 mg of Co 2+ ) was added. The resulting suspension was gently stirred and kept at 80 \u2103 for 6 h. Afterward, the suspension was centrifuged, washed with ethanol, and dried at 70 \u2103. The dry powder was annealed at 400 \u2103 under an Ar atmosphere with a heating rate of 5 \u2103 min -1 and maintained at this temperature for 2 h. The resulting sample is named PCN/Co-OAc.", + "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: Ni(OAc)2\u00b74H2O\nSAC synthesis: 40 mg of PCN was dispersed in 10 mL of ethanol. Then, 100 \u03bcL of DMF solution containing Ni(OAc)2\u00b74H2O (0.8 mg of Ni 2+ ) was added. The resulting suspension was gently stirred and kept at 80 \u2103 for 6 h. Afterward, the suspension was centrifuged, washed with ethanol, and dried at 70 \u2103. The dry powder was annealed at 400 \u2103 under an Ar atmosphere with a heating rate of 5 \u2103 min -1 and maintained at this temperature for 2 h. The resulting sample is named PCN/Ni-OAc.", + "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: 0.5 g of MoO3 loaded in a ceramic crucible was placed in a tube furnace under air atmosphere and heated to 500 \u00b0C for 4 h at a ramping rate of 2 \u00b0C/min. After cooling down, the yellow-colored \u03b1-MoC2 nanosheets were obtained.\nSAC synthesis: 100 mg of \u03b1-MoC2 nanosheets powder was sonicated with deionized water for 30 min to form a homogeneous solution. A specific amount of H2PtCl6 (2 mM) solution was added dropwise to achieve the desired weight of Pt. The resulting mixture was stirred for 2 h, dried at 80 \u00b0C, and calcined at 900 \u00b0C for 2 h under Ar atmosphere.", + "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: Zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O), Cobalt nitrate hexahydrate (Co(NO3)2\u00b76H2O), 2-Methylimidazole (MeIM), Methanol.\nSAC synthesis: The synthesis of atomically dispersed CoNC electrocatalyst was first to mix metal precursors (Zn(NO3)2\u00b76H2O and Co(NO3)2\u00b76H2O) with 2-methylimidazole in methanol at room temperature to enable the self-assembly process.", + "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: 0.5 g of cetyltrimethylammonium bromide (CTAB) was dissolved in 70 mL of a mixed solvent of water and methanol (1:1 by volume) in a thermostatic water bath at 30 \u00b0C. 5 mL of Co(CH3COO)2\u00b74H2O (0.3 M/L) aqueous solution was added to the above solution. After stirring for 30 min, a mixed solution containing 10 mL of 2-methylimidazole solution (1.2 M/L) and a certain amount of triethylamine (TEA) was added to the above solution and kept stirring for 4 h. The product was collected via centrifugation, washed with ethanol, and dried in a vacuum oven at 60 \u00b0C overnight.\nSAC synthesis: The mixture powder of ZnCo-ZIF-2.5 was heated to 900 \u00b0C in 3 h and then maintained at this temperature for 3 h under Ar atmosphere. The obtained sample was soaked in 1 M HCl aqueous solution for about 12 h at room temperature. The suspension was centrifuged and washed with deionized water several times. The final product was dried in a vacuum oven at 60 \u00b0C overnight.", + "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: 1.2 g of chitosan was first dispersed in 100 mL deionized water. After vigorous stirring for half an hour, 0.2 g MnCl2 was added to the mixed solution and stirring was continued for one hour. Subsequently, 0.6 g of melamine was dispersed in a centrifuge tube containing 10 mL deionized water, and was added dropwise to the above mixed solution after ultrasonication for ten minutes. The above solution was vigorously stirred six hours under magnetic stirring, and the centrifuged product was collected by centrifugation at 8000 rpm for ten minutes, completely dried at 60 \u00b0C and ground to a powder.\nSAC synthesis: Finally, powder sample was transferred into a quartz tube, which was then heated to 900 \u00b0C kept for 4 hours with a heating rate of 5 \u00b0C min -1 in high purity nitrogen atmosphere. The final product was collected and marked as Mn SA/NC. The obtained material was directly used without further treatment.", + "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: Zn(NO3)2\u00b76H2O (5.58 g), Co(NO3)2\u00b76H2O (2.73 g), C10H14NaO4 (2.41 g), and C6H12N4 (2.97 g) were dissolved in 150 mL methanol as solution A. 2-Methylimidazole (6.16 g) was dissolved in another 150 mL methanol as solution B. Solution B was added to solution A drop by drop. The mixed solution was stirred for 24 h, centrifuged, washed with methanol, and dried at 60 \u2103 for 5 h.\nSAC synthesis: Co@ZIF8 precursor was heated at 920 \u2103 for 2 h under N2 atmosphere.", + "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: Zn(NO3)2\u00b76H2O (5.58 g), FeSO4\u00b77H2O (0.09 g), and CTAB (0.5g) were dissolved in 150 mL of H2O. 2-Methylimidazole (6.16 g) was dissolved in another 150 mL of H2O. The two solutions were mixed and stirred for 3 h at room temperature. The precipitate was separated by centrifugation, washed with methanol, and dried overnight at 60 \u00b0C in a vacuum oven to obtain Fe-ZIF-8.\nSAC synthesis: Fe-ZIF-8 was pyrolyzed at 950 \u00b0C for 3h under Ar atmosphere. The as-obtained samples were treated with 0.5 M H2SO4 at 80 \u00b0C for 4 h to remove the unstable species. An additional heat treatment was implemented to further eliminate the unstable species. The sample was heated to 900 \u00b0C for 3h under Ar atmosphere. Finally, the sample was passivated in 1% O2/Ar for 2h.", + "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: 2.9 g Zn(NO3)2\u00b76H2O was dissolved in 150 mL methanol to prepare solution A. 9.6 g 2-methylimidazole was dissolved in 150 mL methanol to prepare solution B. Solution A was added to solution B and kept stirring for 12 h at room temperature. After centrifugation, the final product was dried at 60 \u00b0C for 5 h. 100 mg ZIF-8 was added into 50 mL methanol solution containing 100 mg Ni(NO3)2\u00b76H2O and 290 \u00b5L ethanol solution of 1-butyl-3-methylimidazolium nickel tetrachloride ([Bmim]Cl) with a molar ratio of 1:2:4. The mixture was stirred for 2 h at room temperature. Then, 1 mL ethanol solution of 1-butyl-3-methylimidazolium chloride was added to the above mixture and further stirred for 2 h. The precipitate was collected by centrifugation and washed three times with ethanol, followed by drying overnight under vacuum at 60 \u00b0C before use. SAC synthesis: The as-obtained powder was heated to 900 \u00b0C for 2 h at a ramp rate of 5 \u00b0C min^-1 in Ar atmosphere. The black powder was then treated with 2 M H2SO4 at 80 \u00b0C for 8 h to remove unstable metal species. After filtration, copiously washing with deionized water and drying overnight under vacuum at 60 \u00b0C, the final product was obtained.", + "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: The silica template with diameters of about 220 nm was prepared by the St\u00f6ber method. Specifically, 6 mL of tetraethylorthosilicate was dropped into 210 mL of ethanol under stirring for 2 h at room temperature. Afterwards, the precipitate was collected by a filter and washed with ethanol for several times, and then dried at 70 \u00b0C overnight. The obtained solid was calcined in a muffle furnace at 550 \u00b0C for 4 h to obtain the SiO2 template.\n\nSAC synthesis: O-Cu-N-C was prepared by using the silica template with diameters of about 220 nm. 25 mg of SiO2 with diameters of 220 nm, 3.0 g of melamine, and 0.5 mmol of copper nitrate were mixed together and then dried at 100 \u00b0C for 24 h. Subsequently, the mixture was pyrolyzed at 900 \u00b0C for 2 h under Ar atmosphere. Then, the product was etched with 5% HF solution to remove the silica template, and after filtration, abundant water was poured into the flask to wash the precipitate. Finally, the precipitate was dried at 70 \u00b0C overnight to obtain O-Cu-N-C.", + "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: The Zintl Phase with nominal composition K4Ge9 was synthesised by heating a stoichiometric mixture of the elements K (Merck 99.8%) and Ge (Chempur, 99.999%) at 650 \u00b0C for 46 h in a stainless steel autoclave. [12]\nSAC synthesis: Mn(CO)5Br (1.3 mmol) and Z8NC (0.5 g) were added to a Schlenk tube containing 20 mL of dry n-pentanol under an argon atmosphere. After heating at 120 \u00b0C for 18 h, the solution was cooled to room temperature. The precipitate was separated by centrifugation, washed with pentane and dried in vacuo to yield 2 as a dark red powder.", + "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: 0.5 g of cetyltrimethylammonium bromide (CTAB) was dissolved in 70 mL of a mixed solvent of water and methanol (1:1 by volume) in a thermostatic water bath at 30 \u00b0C. 5 mL of Co(CH3COO)2\u00b74H2O (0.3 M/L) aqueous solution was added to the above solution. After stirring for 30 min, a mixed solution containing 10 mL of 2-methylimidazole solution (1.2 M/L) and a certain amount of triethylamine (TEA) was added to the above solution and kept stirring for 4 h. The product was collected via centrifugation, washed with ethanol, and dried in a vacuum oven at 60 \u00b0C overnight.\nSAC synthesis: The mixture powder of ZnCo-ZIF-2.5 was placed in a tube furnace and then heated to 950 \u00b0C for 3 h at a ramp rate of 5 \u00b0C/min under flowing Ar gas and then naturally cooled to room temperature. Then it was further increased to 980 \u00b0C at a ramp rate of 5 \u00b0C/min and maintained at this temperature for 1 h. The obtained sample was soaked in 2 M HCl aqueous solution for about 12 h at 80 \u00b0C. After centrifugation, washing with water, and drying in a vacuum oven at 60 \u00b0C overnight, the final product was achieved and denoted as CoSA@NC.", + "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: In a typical procedure, 2-methylimidazole (1.68 g, 20 mmol) was dissolved in methanol solution (20 mL). Subsequently, an aqueous solution of Zn(NO3)2\u00b76H2O (1.19 g, 4 mmol) was added dropwise to the above solution under vigorous stirring for 1 h at room temperature. After that, the obtained precipitate was centrifuged and washed with methanol three times and dried in vacuum at 60 \u00b0C overnight. The above synthesized powder was used as the precursor of ZIF-8. Then, the ZIF-8 powder was subjected to a high-temperature programmed furnace and heated to 950 \u00b0C for 1 h at a heating rate of 5 \u00b0C min-1 under Ar atmosphere. Finally, the NC sample can be obtained after cooling down to room temperature naturally.\nSAC synthesis: The synthesis procedure is similar to that of Cu-N2/NC except for adding 2-methylimidazole.", + "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: 1,3,5-Tris(4-aminophenyl)benzene (55 mg, 0.16 mmol) and terephthaldehyde (31 mg, 0.23 mmol) were mixed into a dioxane/mesitylene solution (6.3 mL, v/v = 4:1) and heated to 70 \u00b0C until the two precursors were completely dissolved. Next, distilled H2O (1.2 mL) was added to the solution under sonication. The resulting suspension was sealed and heated to 70 \u00b0C for 72 h. The resultant yellow product was collected by filtration, rinsed with toluene several times, and dried under vacuum.\nSAC synthesis: Fe NP/Fe SA -NSC was prepared by the same method as NSC except that Fe(NO3)3\u00b79H2O was used instead of Cu(NO3)2\u00b73H2O.", + "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: Zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O, 3.348 g) and dimethyl imidazole (2-MI, 3.696 g) were completely dissolved in methanol (90 mL), respectively. The two solutions were mixed and stirred for 24 h. The precipitate was separated by centrifuge and washed with methanol three times. The zeolitic imidazolate framework (ZIF-8) product was obtained after drying under vacuum at 60 \u00b0C overnight. The ZIF-8 powder was heated at 900 \u00b0C in 10 vol% NH3 and Ar atmosphere for 20 min, and then in Ar atmosphere for 100 min. The final black powder was named as NC.\nSAC synthesis: The NC (20 mg) and anhydrous CoCl2 (5 mg) were homogenously dispersed in ethanol (5 mL) by ultrasonication for 2 h. The precipitate was separated by centrifuge and then dried under vacuum at 80 \u00b0C. The obtained mixture was named as CoCl2/NC. The CoCl2/NC was heat-treated in 10 vol% H2 and Ar atmosphere at 360 \u00b0C for 5 h. The product was labeled as CoNC-H2-360.", + "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: 0.9 g phenol, 22.5 mL NaOH (0.1 M), 1.2 g melamine or 0.3 g thiourea, and 10 mL formalin aqueous solution (37 wt. %) were mixed at 70 \u00b0C at a stirring speed of 360 rpm for 1 h. 0.7 g of F127 (EO106PO70EO106, M W = 12600 g mol -1 ) and 22.5 mL Milli-Q water were added to the above solution, and the mixed solution was stirred at 70 \u00b0C for a further 2 ~ 4 h. 150 g Milli-Q water was added. When insoluble resins were observed in the solution, the reaction was immediately stopped by cooling the solution to room temperature until the resins decomposed to soluble resoles. Deionized water was added to dilute the solution (56 mL of H2O was added to 17.7 mL of the obtained solution). The solution was then transferred into autoclaves and heated at 120 \u00b0C for 8 ~ 12 h. After cooling to room temperature, a yellow solid was collected after centrifugation and washed with Milli-Q water three times. The solid was dried in a vacuum overnight at 100 \u00b0C, and the obtained sample was denoted as the support.\nSAC synthesis: 200 mg of the support and 0.85 mL H2PtCl6 \u00b7 6H2O (platinum concentration in water: 38.0 mmol L -1 ) were mixed by ultrasonic dispersion for 30 min and dried in a vacuum overnight at 40 \u00b0C. A black product was obtained by the carbonization process at 600 \u00b0C for 3 h under a nitrogen atmosphere at a ramp rate of 5 \u00b0C min -1. The resulting black product was treated with 10% H2SO4 at 60 \u00b0C for 8 h and then dried in a vacuum overnight at 40 \u00b0C. The final black product was denoted Pt/mes-Fe2O3.", + "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: 1.08 g of anhydrous manganese acetate and 0.39 g of nickel acetate were dissolved in 60 mL of DMF. 0.674 g of sodium benzoate was added under vigorous stirring for 12 hours. 1.83 g of terephthalic acid was added for another 1 hour of vigorous stirring. The solution was transferred into a 100 mL Teflon-lined autoclave at 180 \u00b0C for 10 hours. After cooling to room temperature, the product was separated by centrifugation, washed three times with DMF and ethanol, and dried overnight under vacuum at 60 \u00b0C.\nSAC synthesis: The Mn, Ni-MOFs precursor was carbonized in a tubular furnace at 900 \u00b0C. After sulfuric acid leaching, the final product of 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: 0.1 g of FeSA/FeAC and 0.25 g of NiSA/NiAC were added to 30 mL of mixed solution (ethanol and water, volume ratio of 1:1) under ultrasonic treatment for 30 min. The mixture was heated at 90 \u00b0C under stirring to evaporate the liquid. After cooling down naturally, the solid powder was collected and then placed in a tube furnace and annealed at 800 \u00b0C under Ar atmosphere for 2 h with a heating rate of 5 \u00b0C min -1. The final product was designated as FeNi-DSA/FeAC@NiAC.\nSAC synthesis: FeNi-DSA/FeAC@NiAC was dispersed in 40 mL of mixed solution (ethanol and water, volume ratio of 1:1). 2-2.5 mL of NaOH (2 M) solution was added into the suspension and stirred for 10 min. 2-5 mL of NaBH4 (0.1 M) solution was added into the suspension and stirred overnight. The product was filtered and washed with ethanol and water several times and dried at 60 \u00b0C under vacuum.", + "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: 1.08 g of anhydrous manganese acetate and 0.39 g of nickel acetate were dissolved in 60 mL of DMF. 0.674 g of sodium benzoate was added under vigorous stirring for 12 hours. 1.83 g of terephthalic acid was added for another 1 hour of vigorous stirring. The solution was transferred into a 100 mL Teflon-lined autoclave at 180 \u00b0C for 10 hours. After cooling to room temperature, the product was separated by centrifugation, washed three times with DMF and ethanol, and dried overnight under vacuum at 60 \u00b0C.\nSAC synthesis: The Mn, Ni-MOFs precursor was carbonized in a tubular furnace at 900 \u00b0C. After sulfuric acid leaching, the final product of Ni-N4-O/C-900 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": 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: 1.08 g of anhydrous manganese acetate and 0.39 g of nickel acetate were dissolved in 60 mL of DMF. 0.674 g of sodium benzoate was added under vigorous stirring for 12 hours. 1.83 g of terephthalic acid was added for another 1 hour of vigorous stirring. The solution was transferred into a 100 mL Teflon-lined autoclave at 180 \u00b0C for 10 hours. After cooling to room temperature, the product was separated by centrifugation, washed three times with DMF and ethanol, and dried overnight under vacuum at 60 \u00b0C.\nSAC synthesis: The Mn, Ni-MOFs precursor was carbonized in a tubular furnace at 900 \u00b0C. After sulfuric acid leaching, the final product of Fe-Ni-N4-O/C-900 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, 0.37 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: 1.5g glycine (0.02 mol) was dissolved in 50mL deionized water at 80\u00b0C controlled by water bath. After glycine was completely dissolved, 1.11g calcium chloride anhydrous CaCl2 (0.009mol) was added into the colorless and transparent glycine solution. The pH of the above mixed solution is around 5. After about 30min stirring, the mixed solution was removed from the water bath and 30mL ethanol was added into it. The final solution was kept at 60\u00b0C for 24h. The precipitate was collected by centrifugation and washed with distilled water and ethanol for several times. Finally, the precipitate was dried at 60\u00b0C for 12h to obtain Ca-gly.\n\nCa-gly was directly annealed under N2 flow at 900\u00b0C for 2h to obtain Ca-complex/Ca-N.\n\nThe as-synthesized Ca-complex/Ca-N was firstly immersed into a certain amount of HCl solution (37%-38%) for 24h, then it was further treated at 90\u00b0C under N2 flow for 2h. Finally, the sample was collected and washed with distilled water and ethanol for several times, and dried at 60\u00b0C overnight to obtain Ca-N.\n\nSAC synthesis: 20mg Ca-N was slowly added into 30mL deionized water at 80\u00b0C. After Ca-N was fully dissolved, 10mg FeCl3\u00b76H2O was added into the Ca-N solution. Then, the mixture solution was stirred continuously at 80\u00b0C until the supernatant became colorless and transparent. Then, the mixture solution was removed from the water bath and 30mL ethanol was added into it. The final solution was kept at 60\u00b0C for 24h. The precipitate was collected by centrifugation and washed with distilled water and ethanol for several times. Finally, the precipitate was dried at 60\u00b0C overnight to obtain 2Fe-Ca-N.", + "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: 40 ml methanol solution containing 3.25 g 2-methylimidazole was quickly added into another 20 ml methanol solution with 1.5 g Zn(NO3)2\u00b76H2O and 14 mg Fe(NO3)3\u00b79H2O under stirring for 24 h at room temperature. The precipitates were centrifuged, washed with ethanol several times, and dried in vacuum at 60\u00b0C for 8 h. Next, the obtained powder was pyrolyzed at 950 \u00b0C for 30 min under ammonia atmosphere, and then cooled down to room temperature naturally. Finally, the sample was etched by diluted HCl solution for 12 h to remove unstable metal species. After filtration, copiously washing with water, and drying, the final product was about 15 mg.\nSAC synthesis: For comparison, a series of samples with different contents of Fe(NO3)3\u00b79H2O (10, 30, 60, 90, 120 mg) were also prepared and denoted as Fe-ZIF-8/P-X@ZIF-L, where X represents the content of Fe(NO3)3\u00b79H2O in the precursors.", + "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: Fe(NO3)3\u00b79H2O and melamine are mixed in a molar ratio of 1:10 and dissolved in deionized water. Hydrothermal Treatment: The mixture is transferred to a Teflon-lined stainless steel autoclave and heated at 180\u00b0C for 12 hours. Calcination: The resulting solid is washed, dried, and calcined at 500\u00b0C for 2 hours under an inert atmosphere.", + "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: 2.0 g of 2-methylimidazole and 200 mg phenanthroline (Phen) were dissolved in 40 mL methanol to form a clear solution at 60 \u2103 in a reflux system. 60 mg of iron nitrate nonahydrate (Fe(NO3)3\u00b79H2O) and 1.8 g zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O) were dissolved in 10 mL methanol to form a transparent solution. The two solutions were mixed and stirred for 24 h at room temperature. The precipitate was collected by centrifugation, washed with methanol several times, and dried overnight in a vacuum oven at 60 \u2103 to obtain the Fe-ZIF-8/Phen precursor.\nSAC synthesis: The as-obtained powder of Fe-ZIF-8/Phen precursors was loaded into a ceramic boat and placed in a tube furnace. The sample was heated to 950 \u2103 with a heating rate of 5 \u2103 min -1 and kept at 950 \u2103 for 3 h under flowing argon gas. The obtained black powder was named Fe-N-C/Phen.", + "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: 1.736 g NaOH and 0.45 g glucose were dissolved in 4 mL ultrapure water, then 8.5 mL solution of metal salt (Ce(NO3)3\u00b76H2O, 0.01 M) was added to the above solution under vigorous stirring. After that, 1 mL solution of H2PdCl4 (0.01 M) was added to the above solution under vigorous stirring for 30 min. The mixture was dried by evaporating water under reduced pressure.\nSAC synthesis: Then, the dried sample was calcined at 900 \u00b0C for 4 h with a ramping rate of 5 \u00b0C/min. Finally, the calcined sample was reduced in 10 vol% H2 in Ar at 400 \u00b0C for 4 h.", + "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: ZrCl4 (1.2 mmol), K2CO3 (1.5 mmol) were dissolved in 30 mL of formamide. The solution was heated at 120 \u00b0C for 12 h in a Teflon-lined autoclave. The obtained sample was centrifuged and washed by ethanol and DMF three times. Finally, the samples were dried at 60 \u00b0C under vacuum.\nSAC synthesis: Pd1/ZrO2 was prepared according to the previous method. Firstly, ZrO2 powder was added into the titanium precursor solution. Then, the solution was stirred for 2h at room temperature and then dried at 80 \u00b0C for 12 h. Finally, the samples were calcined at 400 \u00b0C for 2 h in air.", + "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: The Ni-BDC MOF precursor was synthesized using a reported method. [1]\nSAC synthesis: The Pd-Ni(OH)2 product was fabricated by an electrochemical reduction process, which was conducted at 25 \u00b0C in a three-necked flask in 0.5 M H2SO4 solution containing 20 mg of Ni-BDC, 40 mg of K2PdCl4 and 30 mg of Diphenyl dispersed evenly on the surface of the solution. The electrochemical reduction process lasted for 2 h. After the reaction, the obtained samples were washed with deionized water several times and dried in a vacuum oven to obtain Pd-Ni(OH)2.", + "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: 6.4 g of dicyandiamide (C2H4N4), 1.6 g of L-cysteine (C3H7NO2S), and 21 mg of K2PtCl4 (0.06 mmol) were first ground into a homogeneous precursor by ZrO2 mortar ball for 2 h. 10 mL of mixed solution of ethanol and hydrochloric acid (volume ratio of 5:1) was added. The slurry continued to be grinded until the ethanol evaporated completely. The mixture was dried in an oven at 80 \u00b0C and ball milled again for 20 min. SAC synthesis: The fine powder mixture was subjected to a two-stage pyrolysis and carbonization process at the N2 atmosphere (first stage: from 25\u00b0C to 550 \u00b0C, maintain at 550 \u00b0C for 2 h, then heated to 800 \u00b0C for 120 min). The heating rate of the whole process at a rate of 2 \u00b0C/min. After cooling down to room temperature, the product was leached at 80 \u00b0C in 0.5 M H2SO4 to remove unstable species.", + "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: 40 mL of ethanol and 20 mL of water were stirred for 2 min at 25 \u2103. 2.5 mL of ammonia was added to the mixed solution and stirred for 10 min. 1 mL of TEOS was added into the mixture and reacted for 4 h under Ar atmosphere. The SiO2 nanospheres were obtained by centrifugation, washed with H2O and ethanol three times, and dried in a vacuum oven at 70 \u2103. The as-obtained SiO2 nanospheres with diameters of about 220 nm were then dispersed in 10 mL of H2O. 3 mL of hydroxypropyl cellulose (10 mg/mL) was added to the dispersion and stirred overnight. The as-obtained SiO2@HPMC samples were centrifuged, washed with water and ethanol twice, and dried in a vacuum oven at 70 \u2103. SAC synthesis: The as-obtained SiO2@Fe-HOPC/SiO2@HPMC powder was placed in a tube furnace and annealed at 900 \u2103 for 2 h under Ar atmosphere. The Fe-N-C SA/HPMC sample was obtained after cooling down.", + "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: 40 mL of methanol containing 3.25 g of 2-methylimidazole was mixed with another 40 mL of methanol solution of Zn(NO3)2\u00b76H2O (1.78 g). The mixed solution was then vigorously stirred for 24 h at room temperature. The obtained white precipitates were centrifuged and washed with methanol several times and dried in vacuum at 60 \u00b0C overnight. Then, the as-obtained ZIF-8 powder was used as a precursor to synthesize NC.\nSAC synthesis: The NC sample can be prepared by directly annealing the ZIF-8 powder at 950 \u00b0C for 2 h under Ar atmosphere. After that, the powder was etched by 3 M HCl solution at 80 \u00b0C for 12 h to remove Zn species. Then, the obtained black powder was centrifuged and washed with ethanol and deionized water for several times and dried in vacuum at 60 \u00b0C overnight.", + "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: 0.3 g of zinc nitrate hexahydrate was dissolved in 2 mL deionized water, and different amounts of chloroauric acid trihydrate were added to achieve Au/Zn molar ratios of 0.01 and 0.001. 5.67 g of 2-methylimidazole was prepared in 20 mL of deionized water. The two solutions were mixed together and stirred for 10 min. The obtained white precipitate was centrifuged at 20,000 rpm for 10 min and washed with methanol three times. The white precipitate was suspended with 5 mL deionized water and mixed with 1 mL 0.476 M sodium borohydride solution for 3 h with stirring. The light violet precipitate was centrifuged and washed with methanol two times. In the end, the collected slurry was dried in a lyophilizer for a day and stored in ambient atmosphere for further use.\nSAC synthesis: 0.01Au@NC(800 \u00b0C) and 0.01Au@CeO2(800 \u00b0C) were prepared from Au@ZIF-8 with Au/Zn molar ratio of 0.01, which were later carbonized under an atmosphere of N2 at 800 \u00b0C for 4 h, with heating rates of 5 \u00b0C min-1. The carbonized product was stored for further test.", + "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: The MC precursor was synthesized according to a previously reported procedure. In brief, 0.5 g of ammonium metavanadate and 1.0 g of oxalic acid were dispersed in 25 mL of distilled water under continuous stirring for 5 h. Then, the obtained solution was dried by rotary evaporation, and the resulting powder was calcined at 400 \u00b0C for 2 h in air. Finally, the yellow-colored MC precursor was obtained.\nSAC synthesis: For the synthesis of FeSA/MC, 0.5 g of MC, 0.36 g of FeCl\u2083\u00b76H\u2082O, and 15 mL of ethanol were placed in a 50 \u00b0C water bath and magnetically stirred for 16 h. Thereafter, the dark green color mixture was filtered and washed with ethanol several times. At last, the obtained filter residue or bottom slurry was dried at 80 \u00b0C for 24 h in air. Then, the resultant powder was reduced at 400 \u00b0C for 2 h under H\u2082 atmosphere, and the FeSA/MC product was obtained.", + "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: 2D MoS2 nanosheets are synthesized by taking hexaammonium heptamolybdate tetrahydrate and thiourea as precursors. Typically, 1 mmol (NH4)6Mo7O24\u00b74H2O and 30 mmol CH4N2S are added in 35 ml DI H2O (35 mL) under stirring to dissolve and form a clear solution. Then, the whole solution is transferred into Teflon-lined stainless-steel autoclave (100 mL) and sustained at 220 \u00b0C for 24 h. The product is then washed by water and ethanol for several times to eliminate possible ions on the surface after cooling down to room temperature, and then dried at 60 \u00b0C under vacuum.\nSAC synthesis: For the syntheses of Fe-based and N-doped MoS2 hybrid materials, 2D MoS2 nanosheets are first dispersed and stirred in the mixing solution of ethanol and deionized water followed by injecting Fe(NO3)3 and NH3\u00b7H2O solutions for 2 h and 4 h, respectively. Specifically, the volume ratio of ethanol and water is 1:1 and the dosage of Fe(NO3)3 solution is 25 mg/mL. NH3\u00b7H2O solution is used to adjust the pH value of the mixture to 8~10. After drying, the resultant powder is pyrolyzed at 900 \u00b0C for 2 h under Ar atmosphere with a ramp rate of 5 \u00b0C/min. Then, the product is etched in 2 M HCl solution for 24 h to remove any possible metal particles or clusters.", + "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: 0.5 g of Zn(NO3)2\u00b76H2O and 0.5 g of Co(NO3)2\u00b7xH2O were dissolved in 50 mL of deionized water. 1 g of melamine was added to the solution, and the mixture was stirred for 12 h at room temperature to form a homogeneous gel. The gel was dried at 80 \u00b0C for 12 h and then calcined at 900 \u00b0C for 2 h under an argon atmosphere.\nSAC synthesis: The Co-N4/N-C catalyst was prepared by a one-pot pyrolysis method. After calcination, the resulting solid was washed with 1 M HCl to remove the Zn species, and then washed with deionized water until the pH of the filtrate reached 7. The final product was dried at 80 \u00b0C for 12 h to obtain the Co-N4/N-C catalyst.", + "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: 2.0 g of 2-methylimidazole and 200 mg phenanthroline (Phen) were dissolved in 40 mL methanol to form a clear solution at 60 \u2103 in a reflux system. 60 mg of iron nitrate nonahydrate (Fe(NO3)3\u00b79H2O) and 1.8 g zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O) were dissolved in 10 mL methanol to form a transparent solution. The two solutions were mixed and stirred for 24 h at room temperature. The precipitate was collected by centrifugation, washed with methanol several times, and dried overnight in a vacuum oven at 60 \u2103 to obtain the Fe-ZIF-8/Phen precursor.\nSAC synthesis: The as-obtained powder of Fe-ZIF-8/Phen precursors was loaded into a ceramic boat and placed in a tube furnace. The sample was heated to 950 \u2103 with a heating rate of 5 \u2103 min -1 and kept at 950 \u2103 for 3 h under flowing argon gas. The obtained black powder was named Fe-N-C/Phen.", + "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: 1.2 g of chitosan was first dispersed in 100 mL deionized water. After vigorous stirring for half an hour, 0.2 g MgCl2 was added to the mixed solution and stirring was continued for one hour. Subsequently, 0.6 g of melamine was dispersed in a centrifuge tube containing 10 mL deionized water, and was added dropwise to the above mixed solution after ultrasonication for ten minutes. The above solution was vigorously stirred six hours under magnetic stirring, and the centrifuged product was collected by centrifugation at 8000 rpm for ten minutes, completely dried at 60 \u00b0C and ground to a powder.\nSAC synthesis: Finally, powder sample was transferred into a quartz tube, which was then heated to 900 \u00b0C kept for 4 hours with a heating rate of 5 \u00b0C min -1 in high purity nitrogen atmosphere. The final product was collected and marked as Mg-N-C NSs.", + "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: Ammonium heptamolybdate ((NH4)6Mo7O24\u00b74H2O) and hydroxylamine hydrochloride ((NH3OH)Cl)) were dissolved in deionized water to form solution A and solution B, respectively.\nSAC synthesis: All chemicals involved in this work were used without further purification. Deionized water was obtained from a Clever-S30 autopure system (ZhiAng Instruments Co., Ltd.). Solution A was prepared by dissolving 1.0 g of ammonium heptamolybdate ((NH4)6Mo7O24\u00b74H2O) in 30 mL of deionized water under magnetic stirring at 60 \u00b0C for 30 min. Solution B was prepared by dissolving 1.0 g of hydroxylamine hydrochloride ((NH3OH)Cl) in 15 mL of deionized water under magnetic stirring at 60 \u00b0C for 30 min. Then, solution B was added into solution A dropwise and the mixture was stirred for another 1 h. The obtained sample was transferred to a Teflon-lined autoclave and reacted at 180 \u00b0C for 12 h. After cooling down to room temperature, the final product was obtained by centrifugation and washed with ethanol and deionized water several times. Finally, the sample was dried at 60 \u00b0C in vacuum.", + "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: 15.9 mg of Co(NO3)2\u00b76H2O and 47.6 mg of PM were dissolved in 40 mL of H2O to form solution A. 108.6 mg of gelatin, 39.0 mg of SiO2, and 0.281 mg of MnSO4\u00b7H2O were dissolved in 80 mL of H2O to form solution B. Solution A was then transferred into solution B. The mixed solution was then transferred into a Teflon-lined stainless-steel autoclave and kept at 180 \u00b0C for 12 h. After cooling down naturally, the product was collected by centrifugation and washed with ethanol three times before being freeze-dried overnight. Finally, the obtained powder was pyrolyzed at 900 \u00b0C under an Ar atmosphere for 2 h. The obtained product was then treated with HF (10 wt%) etching for 4 h, followed by washing with water and anhydrous ethanol several times and drying at 60 \u00b0C under vacuum overnight. The final product was then obtained and denoted as CoSA@NCA.\nSAC synthesis: CoSA@NCA was directly synthesized without the addition of any precursors.", + "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: 15.9 mg of nickel nitrate hexahydrate and 47.6 mg of PM were dissolved in 40 mL of DI water to form solution A. 100 mg of CMK-3 was dispersed in 20 mL of DI water to form solution B. Solution A was then added dropwise into solution B. The mixed solution was then vigorously stirred at room temperature for 24 h. The obtained precursor was centrifuged and dried at 80 \u00b0C overnight.\nSAC synthesis: The precursor was then transferred into a ceramic crucible and placed in an argon-filled tube furnace. The powder was heated from room temperature to 900 \u00b0C with a heating rate of 5 \u00b0C min -1 and further annealed at 900 \u00b0C for 3 h under an argon atmosphere with a flow rate of 30 mL min -1. The Ni single atom/N-doped carbon aerogels (NiSA/NCA) sample was obtained.", + "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: None required.\nSAC synthesis: The same method as PtGa-Ca/SiO2, but with the addition of Pb(NO3)2. The atomic ratio was Pt:Ga:Ca:Pb = 1:1:5:0.55.", + "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: 1.73 g of Ce(NO3)3\u00b76H2O and 19.2 g of NaOH were dissolved in 10 and 70 mL of deionized water, respectively. Then the NaOH solution was added to the Ce(NO3)3 solution in a necked flask under Ar atmosphere and vigorously stirred for 30 min at ambient temperature. After that the precipitated product was collected by centrifugation and further purified by ethanol and deionized water until the supernatant became neutral. After drying overnight at 80 \u00b0C, the CeO2 support was achieved.\nSAC synthesis: 40 mg amount of platinum tetraaminonitrate used as the Pt precursor was dissolved in 50 mL of deionized water. After adding 1 g of CeO2 support, the aqueous solution was stirred at ambient temperature for 24 h and heated at 80 \u00b0C to remove the water solvent. The materials were further dried at 105 \u00b0C for 12 h and calcined at 500 \u00b0C for 3 h in air. Finally, the Pt/CeO2 catalyst was obtained.", + "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: ZrCl4 (1.2 mmol), K2PtCl6 (0.0072 mmol), 2-amino-terephthalic acid (H2BDC-NH2) (1.5 mmol) were loaded in a shrek tube containing 50 mL of N, N-dimethylformamide (DMF)-HCOOH solution, along with CH3COOH as the modulator. The solution was stirred for 10 minutes at room temperature. Then the obtained homogeneous solution was heated at 130 \u00b0C for 24 h. The sample was collected by centrifugation and washed by DMF for three times at room temperature, and finally evacuated at 150 \u00b0C for 12 h to yield Pt@UiO-66-NH2.\nSAC synthesis: A quartz boat loaded with Pt@UiO-66-NH2 was placed in a tube furnace and heated to 550 \u2103 for 5 h at a ramp rate of 5 \u00b0C/min under 10% H2/Ar to obtain PtN3O/ZrO2@C.", + "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: 10 mL of tetrabutyl titanate and 1.5 mL of hydrofluoric acid solution (47%) were mixed under stirring in a dried Telfon-lined autoclave (25 ml) and heated at 200 \u00b0C with stirring for 24 h. After cooling, the white precipitates were separated by high-speed centrifugation and washed with ethanol and distilled water several times. Finally, the powder was dispersed in 0.1 M NaOH aqueous solution and stirred for 8 h at room temperature. The power was recovered by high speed centrifugation, washed with distilled water and ethanol several times and finally dried at vacuum oven for 12 h.\nSAC synthesis: Pt/TiO2 nanosheets were prepared according to the literature. 20 Typically, Pt/TiO2 nanosheets were prepared by coating Pt on the surface of TiO2 nanosheets using a modified active-deposition method. Briefly, 0.5 g of TiO2 nanosheets with an average length of 12 nm and a uniform diameter of 12 nm were dispersed in 50 ml water. Then, ammonium carbonate ((NH4)2CO3) solution (25 ml, 1 M) was added into the above mixture. H2PtCl6\u00b76H2O (10 mg), propylene oxide (PO, 30 ml) and ethanol (50 ml) were successively added into the above solution under stirring. After stirring for 1 h, the as-obtained Pt/TiO2 nanosheets were collected by filtration and then dried at 60\u00b0C for 5 hours without any further calcination treatment.", + "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: ZrCl4 (1.2 mmol), K2PtCl6 (0.0072 mmol), 2-amino-terephthalic acid (H2BDC-NH2) (1.5 mmol) were loaded in a shrek tube containing 50 mL of N, N-dimethylformamide (DMF)-HCOOH solution, along with CH3COOH as the modulator. The solution was stirred for 10 minutes at room temperature. Then the obtained homogeneous solution was heated at 130 \u00b0C for 24 h. The sample was collected by centrifugation and washed by DMF for three times at room temperature, and finally evacuated at 150 \u00b0C for 12 h to yield Pt@UiO-66-NH2.\nSAC synthesis: A quartz boat loaded with Pt@UiO-66-NH2 was placed in a tube furnace and heated to 550 \u2103 for 5 h at a ramp rate of 5 \u00b0C/min under 10% H2/Ar to obtain PtN3O/ZrO2@C.", + "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: Porous carbon was prepared by one-step pyrolysis of potassium citrate at 800 \u00b0C for 1 h in a tube furnace under flowing N2 gas. Black powder was ground and sieved to obtain porous carbon (PC).\nSAC synthesis: For the synthesis of Mo@C, 15 mg of PC, 0.9 mg of Na2MoO4\u00b72H2O, and 0.6 g of melamine were added into 40 mL of ethanol and sonicated for 30 min. The mixture solution was stirred at room temperature until the solvent completely evaporated. Then, the obtained solid powder was annealed at 400 \u00b0C for 2 h under Ar atmosphere. After cooling down to room temperature, the final product was obtained.", + "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: In a typical procedure, 1.0 g of melamine and 0.5 g of XC-72R was thoroughly mixed and placed in the tube furnace. Subsequently, the mixture was heated at 800 \u00b0C for 2 h under Ar atmosphere with a heating rate of 2 \u00b0C min-1 to afford NC-800 sample.\nSAC synthesis: The Ni element was prepared under the same condition as that of CoSA@NC-800 but without adding cobalt salt in the raw materials.", + "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: In a typical procedure, 160 mL deionized water, 6 g 2-thio-4-thiazolidinone (rhodamine) and 24 g FeCl3\u00b76H2O were added to a 250 mL three-necked flask, and then placed in a water bath at 90 \u2103 and kept stirring for 12 h. After cooling down to room temperature, the mixture was filtered by suction filtration and dried at 60 \u2103 overnight. The dry powder was grinded in an agate mortar, followed by calcination in a tube furnace at 800 \u2103 under N2 atmosphere for 2 h with a heating rate of 5 \u2103/min. The final product was obtained after cooling down to room temperature and marked as SA-FeNS.\nSAC synthesis: In a typical procedure, 160 mL deionized water, 6 g 2-thio-4-thiazolidinone (rhodamine), 24 g FeCl3\u00b76H2O, and 10 mg thioacetamide were added to a 250 mL three-necked flask, and then placed in a water bath at 90 \u2103 and kept stirring for 12 h. After cooling down to room temperature, the mixture was filtered by suction filtration and dried at 60 \u2103 overnight. The dry powder was grinded in an agate mortar, followed by calcination in a tube furnace at 800 \u2103 under N2 atmosphere for 2 h with a heating rate of 5 \u2103/min. The final product was obtained after cooling down to room temperature and marked as SA-FeNS.", + "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: Cerium nitrate hexahydrate (Ce(NO3)3\u00b76H2O) was heated in a regular muffle furnace under static conditions at 350 \u00b0C for 4 h.\nSAC synthesis: An appropriate amount of ruthenium acetylacetonate precursor to achieve a preset metal content was dissolved in 40 mL of acetone. The as-prepared ceria powder (1 g) was then dispersed into this solution, and the solvent was slowly evaporated and dried under dynamic vacuum (430 mbar) at 40 \u00b0C. The resulting solid was dried at 80 \u00b0C overnight and calcined in air at 450 \u00b0C for 4 h. For catalytic tests, the final catalyst was sieved in the particle size range of 200-300 \u03bcm.", + "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: 1.2 g of chitosan was first dispersed in 100 mL deionized water. After vigorous stirring for half an hour, 0.2 g MnCl2 was added to the mixed solution and stirring was continued for one hour. Subsequently, 0.6 g of melamine was dispersed in a centrifuge tube containing 10 mL deionized water, and was added dropwise to the above mixed solution after ultrasonication for ten minutes. The above solution was vigorously stirred six hours under magnetic stirring, and the centrifuged product was collected by centrifugation at 8000 rpm for ten minutes, completely dried at 60 \u00b0C and ground to a powder.\nSAC synthesis: Finally, powder sample was transferred into a quartz tube, which was then heated to 900 \u00b0C kept for 4 hours with a heating rate of 5 \u00b0C min -1 in high purity nitrogen atmosphere. The final product was collected and marked as Mn-N-C NSs.", + "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: 2.0 g of 2-methylimidazole and 200 mg phenanthroline (Phen) were dissolved in 40 mL methanol to form a clear solution at 60 \u2103 in a reflux system. 60 mg of iron nitrate nonahydrate (Fe(NO3)3\u00b79H2O) and 1.8 g zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O) were dissolved in 10 mL methanol to form a transparent solution. The two solutions were mixed and stirred for 24 h at room temperature. The precipitate was collected by centrifugation, washed with methanol several times, and dried in a vacuum oven at 60 \u2103 overnight to obtain the Fe-ZIF-8/Phen precursor.\nSAC synthesis: The as-obtained powder of Fe-ZIF-8/Phen precursors was loaded into a ceramic boat and placed in a tube furnace. The sample was heated to 950 \u2103 with a heating rate of 5 \u2103 min -1 and kept at 950 \u2103 for 3 h under flowing argon gas. The obtained black powder was named Fe-N-C/Phen.", + "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: 1.2 g of chitosan was first dispersed in 100 mL deionized water. After vigorous stirring for half an hour, 0.2 g MnCl2 was added to the mixed solution and stirring was continued for one hour. Subsequently, 0.04 g FeCl3 was dispersed in a centrifuge tube containing 10 mL deionized water, and was added dropwise to the above mixed solution after ultrasonication for ten minutes. The above solution was vigorously stirred six hours under magnetic stirring, and the centrifuged product was collected by centrifugation at 8000 rpm for ten minutes, completely dried at 60 \u00b0C and ground to a powder.\nSAC synthesis: Finally, powder sample was transferred into a quartz tube, which was then heated to 900 \u00b0C kept for 4 hours with a heating rate of 5 \u00b0C min -1 in high purity nitrogen atmosphere. The powder sample was collected and washed with 6 M HNO3 and deionized water for several times, and then dried at 60 \u00b0C under vacuum for overnight. The final product was finally obtained and denoted as Fe/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 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: H2PtCl6\u00b76H2O solution was used as the platinum precursor.\nSAC synthesis: Pt SA decoration of TiO2-A was carried out in an immersion process. Commercial TiO2-A powder was dispersed in an aqueous solution of H2PtCl6\u00b76H2O, which was used as a platinum precursor. The concentration of H2PtCl6\u00b76H2O in the solution was varied (0.0005, 0.005, 0.01, 0.05, and 2 mm) for the controlled loading of Pt SAs. The prepared suspension (0.2 g L /C0 1 ) was placed in a sealed vessel, purged with Ar for 20 min, and then continuously stirred in the dark for 24 h. Upon completion, the Pt SA decorated TiO2-A powder was collected by filtration, washed with DI water three times, and dried in air at 70 /C14 C for 12 h. Finally, the Pt SA decorated TiO2-A powder was annealed at different temperatures (300, 350, 400, 450, and 500 /C14 C) for 2 h under air atmosphere.", + "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: The commercial anatase TiO2 powder was used as the source of TiO2 nanoparticles.\nSAC synthesis: Pt/TiO2 catalysts were prepared by incipient wetness impregnation method using AC1000 (98%) Pt solution from Alfa Aesar. 5 g of TiO2 support was slowly added into a 30 mL aqueous solution of H2PtCl6. After stirring for 30 min, the mixture was dried at 120 \u00b0C overnight and calcined at 500 \u00b0C for 4 h. The Pt loading was controlled to be 1.0 \u00b1 0.2 wt%.", + "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: To prepare CTF, 1.363 g ZnCl2 (Wako), 0.0161 g 2-mercapto-1-methylimidazole (Sigma Aldrich, 98%), and 0.0129 g cetyltrimethylammonium bromide (CTAB, Wako) were dissolved in 40 mL ultrapure water. The mixture was sonicated for 30 min to form a clear solution. Then, the homogeneous solution was transferred into a 50 mL Teflon-lined stainless steel autoclave. The autoclave was sealed and heated at 220 \u00b0C for 20 h then cooled down naturally. The precipitate was collected by centrifugation and washed three times with ultrapure water. Finally, the product was dried at 60 \u00b0C under vacuum.\nSAC synthesis: To prepare Pt-Co/CTF, 0.20 g CTF was dispersed in 50 mL ultra-dry acetonitrile (VWR). Then, 36 \u00b5L H2PtCl6\u00b76H2O (Acros Organics) was added to the dispersion and stirred overnight. After that, the powder was centrifuged and washed twice with acetonitrile and dried under vacuum. Then, the powder was placed in a tube furnace and annealed under N2 flow (50 sccm) 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: To prepare CTF, 1.363 g ZnCl2 (Wako), 0.0161 g 2-mercapto-1-methylimidazole (Sigma Aldrich, 98%), and 0.0129 g cetyltrimethylammonium bromide (CTAB, Wako) were dissolved in 40 mL ultrapure water. The mixture was sonicated for 30 min to form a clear solution. Then, the homogeneous solution was transferred into a 50 mL Teflon-lined stainless steel autoclave. The autoclave was sealed and heated at 220 \u00b0C for 20 h then cooled down naturally. The precipitate was collected by centrifugation and washed three times with ultrapure water. Finally, the product was dried at 60 \u00b0C under vacuum.\nSAC synthesis: To prepare Pt-Co/CTF, 0.20 g CTF was dispersed in 50 mL ultra-dry acetonitrile (VWR). Then, 36 \u00b5L H2PtCl6\u00b76H2O (Acros Organics) was added to the dispersion and stirred overnight. After that, the powder was centrifuged and washed twice with acetonitrile and dried under vacuum. Then, the powder was placed in a tube furnace and annealed under N2 flow (50 sccm) 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: 0.2 g glucose, 2 g dicyandiamide, and the same moles of Nickel chloride hexahydrate (NiCl3\u00b76H2O) as Cobalt chloride hexahydrate (CoCl3\u00b76H2O) were dispersed in 70 mL deionized water and stirred for 12 h to get a homogeneous solution.\nSAC synthesis: The solution was quickly frozen by liquid nitrogen and freeze-dried in a freeze dryer with vacuum. Afterward, the resultant powders were pyrolyzed at 550 \u00b0C for 2 h and 800 \u00b0C for 2 h under a flowing Ar atmosphere. The as-obtained product was denoted as Ni SAs/AC@NG.", + "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: Pristine graphene nanosheet was first oxidized in a H2SO4 solution for 10 h. The oxidized graphene was then rinsed with distilled water and dried under vacuum. The dry oxidized graphene was subsequently annealed at 900 \u00b0C for 30 min under an argon atmosphere. An icy-cold solution of NaNO2 (1.5 mL, 98%, Alfa Aesar) was added into a mixed solution of ethanol and water (2 mL each). The mixture was stirred for 30 min and then transferred into a Teflon-lined autoclave (25 mL) and hydrothermally treated at 70 \u00b0C for 5 h. The product was centrifuged and rinsed thoroughly with water and ethanol. The G-CN was obtained by drying the product under vacuum at 60 \u00b0C for 10 h.\nSAC synthesis: Pt ALD was carried out on a viscous flow reactor (GEMSTAR-6 Benchtop ALD, Arradiance) by alternatively exposing to MeCpPtMe3 precursor and O2 (99.999%) purge. Ultrahigh purity N2 (99.999%) was used as the carrier gas at a flow rate of 200 mL/min. The Pt precursor was heated to 65 \u00b0C to achieve a sufficient vapor pressure. The reactor inlet manifold was held at 110 \u00b0C to avoid any condensation. The Pt ALD process consisted of sequential exposures to the Pt precursor (1 s per cycle) and O2 (10 s per cycle). The total ALD time was 10 min. The G-CN support was loaded into the ALD reactor. After temperature stabilization, Pt ALD was performed. The Pt loading was measured to be 0.03 wt%.", + "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: 0.2 g glucose, 2 g dicyandiamide, and the same moles of Cobalt chloride hexahydrate (CoCl2\u00b76H2O) as Nickel chloride hexahydrate (NiCl2\u00b76H2O) were dispersed in 70 mL deionized water and stirred for 12 h to get a homogeneous solution.\nSAC synthesis: The solution was quickly frozen by liquid nitrogen and freeze-dried in a freeze dryer with vacuum. Afterward, the resultant powders were pyrolyzed at 550 \u00b0C for 2 h and 800 \u00b0C for 2 h under a flowing Ar atmosphere. The as-obtained product was denoted as Co SAs/AC@NG.", + "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: The desired amount of the Cu precursor, namely Cu(NO3)2 $ 3H2O (20 g L /C0 1 ), was completely dissolved in mixed solution (10 mL dimethyl sulfoxide and 10 mL distilled water) containing melamine (1 g). The gray solution was denoted by solution A. Cyanuric acid (1.02 g) was dissolved in mixed solution (10 mL dimethyl sulfoxide and 10 mL distilled water) and the solution was stirred for 20 min to give solution B.\nSAC synthesis: The synthesis method of Cu-NP/G was the same as that of Cu-SA/G except the desired amount of Na2CO3 and NaOH were added to solution A to adjust pH \u00bc 10 before adding solution B.", + "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: 0.2 g glucose, 2 g dicyandiamide, and the same moles of Iron chloride hexahydrate (FeCl3\u00b76H2O) as Cobalt chloride hexahydrate (CoCl2\u00b76H2O) were dispersed in 70 mL deionized water and stirred for 12 h to get a homogeneous solution.\nSAC synthesis: The solution was quickly frozen by liquid nitrogen and freeze-dried in a freeze dryer with vacuum. Afterward, the resultant powders were pyrolyzed at 550 \u00b0C for 2 h and 800 \u00b0C for 2 h under a flowing Ar atmosphere. The as-obtained product was denoted as Fe SAs/AC@NG.", + "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: 200 mg of multi-walled carbon nanotubes (MCNTs) and 500 mg of melamine were added into 120 mL of a mixture solvent of ethanol and water with a volume ratio of 1:1 for sonicating 1 hour. 25 mg NiPc was added into 3 mL of ethanol for sonicating 0.5 hour. 140 \u03bcL of the NiPc solution was added dropwise in the MCNTs-melamine solution with stirring. After stirring the solution for 24 hours, the precipitates were cleaned by ethanol, dried at 333 K, and annealed at 1273 K in Ar for 1 hour. Finally, the sample was immersed in 0.5 M H2SO4 at 353 K for 12 hours to remove metallic Ni particles, cleaned by ethanol, and dried in vacuum.\nSAC synthesis: The dried and annealed sample was used as the N4Ni1O1/NCTs catalyst.", + "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: In a typical procedure, 10.5 mg H2PtCl6\u00b76H2O was diluted in 30 mL deionized water to form a H2PtCl6 solution. 19.9 mg CTAB (CTAB, Sinopharm Chemical Reagent Co., Ltd.) was dissolved in 50 mL ultrapure water to form a CTAB solution. The CTAB solution was added to the H2PtCl6 solution drop by drop. The mixed solution was stirred for 1 h and then centrifuged to obtain the Pt-CTAB nanocages. The obtained Pt-CTAB nanocages were dispersed in 10 mL deionized water and then freeze-dried to get the Pt-CTAB aerogels.\nSAC synthesis: The Pt-CTAB aerogels were first placed in a tube furnace under Ar atmosphere. The temperature was increased to 700 \u00b0C with a heating rate of 5 \u00b0C/min and maintained at 700 \u00b0C for 1 h. After that, the sample was further raised to 800 \u00b0C with a heating rate of 5 \u00b0C/min and maintained at 800 \u00b0C for 1 h. Finally, the sample was cooled down to room temperature to obtain PtSA/Pt-NC@g-C3N4. The PtSA/Pt-NC@g-C3N4 was placed in a ceramic boat and then heated to 500 \u00b0C under Ar atmosphere with a heating rate of 5 \u00b0C/min and maintained at 500 \u00b0C for 1 h. After cooling down to room temperature, PtSA/Pt-NC@g-C3N4/C was obtained.", + "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: 2-Methylimidazole (1.314 g, 16 mmol) was dissolved in 15 mL methanol as solution A. Fe(acac)3 (0.165 g, 0.5 mmol) and Zn(NO3)2\u00b76H2O (0.362 g, 1.2 mmol) were dissolved in 30 mL methanol as solution B. Solution A was then transferred dropwise into solution B. The mixed solution was then vigorously stirred at room temperature for 24 h. The obtained product was separated by centrifugation and dried in vacuum at 60 \u00b0C for overnight. SAC synthesis: The power of Fe-Zn-ZIF was transferred into a ceramic boat and placed in a tube furnace. The sample was pyrolyzed under flowing argon gas at 950 \u00b0C for 2 h and then naturally cooled to room temperature.", + "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: 1.0 g of iron nitrate nonahydrate and 3.0 g of melamine were manually ground for 10 min to get the uniform light-green solid precursor. It was then annealed in the tube furnace at 600 \u00b0C for 2 h with a heating rate of 5 \u00b0C/min under flowing N2 gas. The final FeSA -CN was obtained after washing with water, ethanol, and acetone several times.\nSAC synthesis: FeSA -CN was directly placed on top of the SWCNT film. Then, it was heated to 700 \u00b0C with a heating rate of 5 \u00b0C/min and kept for 1 h under Ar atmosphere. After that, it was cooled down to room temperature. Finally, the sample was soaked in HCl solution (3 M) overnight to remove metal particles or clusters.", + "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: In a typical procedure, 0.25 g of WCl6 was dissolved in 50 mL of absolute ethanol. After stirring for 30 min, it was transferred into a 100 mL of Teflon-lined autoclave and heated at 180\u00b0C for 24 h. Then, the product was washed alternately with deionized water and absolute ethanol. Finally, the precipitate is dried at 70\u00b0C for 6 h.\nSAC synthesis: The synthesis process is similar to CC. CC was synthesized by changing the amount of CTAB to 0.5 mM. The obtained samples were denoted as WO2.72/Au-CC.", + "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: In a typical procedure, 0.25 g of WCl6 was dissolved in 50 mL of absolute ethanol. After stirring for 30 min, it was transferred into a 100 mL of Teflon-lined autoclave and heated at 180\u00b0C for 24 h. Then, the product was washed alternately with deionized water and absolute ethanol. Finally, the precipitate is dried at 70\u00b0C for 6 h.\nSAC synthesis: The Pt/WOx was prepared by ALD method. Firstly, 0.25 g of WCl6 was dissolved in 50 mL of absolute ethanol. After stirring for 30 min, it was transferred into a 100 mL of Teflon-lined autoclave and heated at 180\u00b0C for 24 h. Subsequently, the sample was purged with Ar/H2 (100/50 sccm) for 30 min. Then, the sample was exposed to H2PtCl6 (100 sccm) for 60 min. After that, the sample was exposed to O3 (100 sccm) for 30 min. Finally, the sample was washed alternately with deionized water and absolute ethanol. Finally, the precipitate is dried at 70\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: In a typical procedure, 0.25 g of WCl6 was dissolved in 50 mL of absolute ethanol. After stirring for 30 min, it was transferred into a 100 mL of Teflon-lined autoclave and heated at 180\u00b0C for 24 h. Then, the product was washed alternately with deionized water and absolute ethanol. Finally, the precipitate is dried at 70\u00b0C for 6 h.\nSAC synthesis: In a typical procedure, 0.25 g of WCl6 and 2.5 mg of K2PdCl4 were dissolved in 50 mL of absolute ethanol. After stirring for 30 min, it was transferred into a 100 mL of Teflon-lined autoclave and heated at 180\u00b0C for 24 h. Subsequently, the precipitate was washed alternately with deionized water and absolute ethanol, which was then dried at 70\u00b0C for 6 h. Finally, the annealing was conducted at 300\u00b0C for 1 h in air atmosphere. By changing the amount of K2PdCl4, a series of samples with different Pd loading amount were obtained.", + "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: Zn(NO3)2\u00b76H2O (5.58 g) and C10H14FeN8 (7.707 g) were dissolved in 150 mL methanol and stirred evenly (solution A). 2-Methylimidazole (6.16 g) was dissolved in another 150 mL methanol and stirred well (solution B). Solution B was poured into solution A with stirring at room temperature for 24 h. Centrifugation was performed until the supernatant was clear, and then the precursor ZnFe-ZIF-8 was dried at 60 \u00b0C in a vacuum oven for 6 h.\nSAC synthesis: 0.5 g ZnFe-ZIF-8 was dissolved in 100 mL N,N-dimethylformamide solution (solution E). Meso-tetrakis(4-chlorophenyl) porphyrin-iron(III) chloride was dissolved in 100 mL N,N-dimethylformamide solution (solution F). Solution F was poured into solution E with stirring at room temperature for 24 h, centrifuged until the supernatant was clarified. The ZnFe-ZIF-8@Fe-TPPCl was dried at 60 \u00b0C for at least 6 h. N-doped porous carbon (N/C) was obtained by calcination at 920 \u00b0C for 2 h in N2 atmosphere. To obtain Fe-N/C, the N/C was added to the 5% H2/N2 mixture and reacted at 920 \u00b0C for 2 h.", + "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: 2.0 g of 2-methylimidazole and 200 mg phenanthroline (Phen) were dissolved in 40 mL methanol to form a clear solution at 60 \u2103 in a reflux system. 60 mg of iron nitrate nonahydrate (Fe(NO3)3\u00b79H2O) and 1.8 g zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O) were dissolved in 10 mL methanol to form a transparent solution. The two solutions were mixed and stirred for 24 h at room temperature. The precipitate was collected by centrifugation, washed with methanol several times, and dried in a vacuum oven at 60 \u2103 overnight to obtain the Fe-ZIF-8/Phen precursor.\nSAC synthesis: The as-obtained powder of Fe-ZIF-8/Phen precursors was loaded into a ceramic boat and placed in a tube furnace. The sample was heated to 950 \u2103 with a heating rate of 5 \u2103 min -1 and kept at 950 \u2103 for 3 h under flowing argon gas. The obtained black powder was named Fe-N@C/Phen.", + "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: 0.5 g of cetyltrimethylammonium bromide (CTAB) was dissolved in 70 mL of a mixed solvent of water and methanol (1:1 by volume) in a thermostatic water bath at 30 \u00b0C. 5 mL of Co(CH3COO)2\u00b74H2O (0.3 M/L) aqueous solution was added to the above solution. After stirring for 30 min, a mixed solution containing 10 mL of 2-methylimidazole solution (1.2 M/L) and a certain amount of triethylamine (TEA) was added to the above solution and kept stirring for 4 h. The product was collected via centrifugation, washed with ethanol, and dried in a vacuum oven at 60 \u00b0C overnight.\nSAC synthesis: The mixture powder of ZnCo-ZIF-2.5 was placed in a tube furnace and then heated to 950 \u00b0C for 3 h at a ramp rate of 5 \u00b0C/min under flowing Ar gas, followed by cooling to room temperature naturally. Then, the as-obtained powders were further diluted with HCl to remove metal particles or clusters.", + "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: 1.0 g of chitosan was dispersed in 100 ml of deionized water and continued stirring for 60 min.\nSAC synthesis: Then, 0.15 mmol of CuCl2 was added. The above dispersing solution was stirred for 3h. Subsequently, the obtained mixture solution was completely dried at 60 \u00b0C and ground to a powder. Pyrolysis carbonization of powder at 750 \u00b0C for 4h with a ramp of 5 \u00b0C/min under high purity argon atmosphere. The final product was named as Cu-SA@NC.", + "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: 0.1 g of ZIF-8 is added to 10 mL of 0.01 M Ni(NO3)2\u00b76H2O solution and stirred for 12 h at room temperature.\nSAC synthesis: The mixture is then dried at 80 \u00b0C for 12 h. The dried product is calcined at 900 \u00b0C for 2 h under an Ar atmosphere with a heating rate of 5 \u00b0C min\u22121.", + "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 ruthenium catalyst was synthesized by impregnating the MCM-41 support with a solution of RuCl3. The impregnated sample was dried at 80\u00b0C for 12 hours and then calcined in air at 500\u00b0C for 5 hours.\nSAC synthesis: Not explicitly provided in the text.", + "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 ruthenium catalyst was synthesized by impregnating the MCM-41 support with a solution of RuCl3. The impregnated sample was dried at 80\u00b0C for 12 hours and then calcined in air at 500\u00b0C for 5 hours.\nSAC synthesis: Not explicitly provided in the text.", + "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": "Precursor synthesis: 20.0 g of Phytic acid solution (50 wt% in H2O) was added into 50.0 mL of TiCl3 solution (1.2 M). After stirring for 3 h, the mixture was aged at room temperature for 12 h. The precipitate was collected by centrifugation and washed with ultrapure water three times. Finally, the precipitate was dried under vacuum at 60 \u00b0C for 12 h to obtain the light-yellow powder.\nSAC synthesis: 1.0 g of the as-synthesized powder was dispersed in 40.0 mL of ultrapure water under sonication for 5 min. Then, 0.25 M of Na2CO3 solution was added dropwise into the dispersion under vigorous stirring until the pH of the resulting solution reached 8.5. After additional stirring for 1 h, the resulting precipitate was collected by centrifugation and washed with ultrapure water twice. Finally, the precipitate was dried under vacuum at 60 \u00b0C overnight to obtain the light-yellow powder. The obtained powder was then used as the support material in the following procedure. 20.0 mg of the as-obtained powder was dispersed in 50.0 mL of ultrapure water under sonication for 10 min. Then, 0.25 M of Na2CO3 solution was added dropwise into the dispersion under vigorous stirring until the pH of the resulting solution reached 8.5. After additional stirring for 1 h, 0.01 M of RuCl3 solution was added dropwise into the dispersion under vigorous stirring. After being stirred further for 12 h, the precipitate was collected by centrifugation and washed with ultrapure water twice. Finally, the precipitate was dried under vacuum at 60 \u00b0C overnight to obtain the black powder.", + "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: A 1.32 mL aliquot of 0.5 mg mL^-1 NiCl2\u00b76H2O was prepared. A 0.5 mg mL^-1 NaBH4 solution (2.65 mL) was prepared.\nSAC synthesis: A 1.32 mL aliquot of 0.5 mg mL^-1 NiCl2\u00b76H2O was frozen using liquid nitrogen. Then, the ice was slowly melted in 6 mL of a 0.5 mg mL^-1 NaBH4 solution under stirring at 0\u00b0C. After one hour, the ice was partially melted. The remaining ice was removed, and the mixed solution was centrifuged. The obtained precipitate was washed twice with water and once with ethanol. Then, the precipitate was dried in vacuum at 60\u00b0C for more than 2 hours. The dried powder was finally heated to 800\u00b0C under Ar atmosphere at a rate of 5\u00b0C min^-1 and maintained at this temperature for 2 hours.", + "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: A 1.32 mL aliquot of 0.5 mg mL^-1 FeCl3 was prepared by diluting 97 mg FeSO4\u00b7x7H2O into 50 mL deionized water and sonicating for 30 min. A 0.5 mg mL^-1 NaBH4 solution (2.65 mL) was prepared by mixing 100 mg NaBH4 with 50 mL deionized water and sonicating for 30 min.\nSAC synthesis: A mixed solution containing FeCl3 and NaBH4 was used to prepare a mixed Fe/Fe-N-C electrocatalyst. The preparation process was similar to that of the single Fe/Fe-N-C catalyst, except that the volume of the solution was increased to 25 mL.", + "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: A graphitic powder was synthesized by thermal annealing of melamine at 600 \u00b0C for 2 h. To the graphitic powder, a solution of sodium acetate (1 M, 45 mL) was added and the mixture was stirred for 3 h. The resulting mixture was filtered and washed with deionized water three times. The obtained filter cake was dried in air at room temperature overnight. The dried material was then calcined at 900 \u00b0C for 2 h under an argon atmosphere. The final product, \u03b1-graphene, was obtained as a black powder.\nSAC synthesis: To a solution of \u03b1-graphene (10 mg/mL) in ethanol (20 mL), a solution of Co(OAc)\u2082\u00b74H2O (10 mg/mL) in ethanol (20 mL) was added and the mixture was stirred for 3 h. The resulting mixture was filtered and washed with ethanol three times. The obtained filter cake was dried in air at room temperature overnight. The dried material was then calcined at 900 \u00b0C for 2 h under an argon atmosphere. The final product, CoSA-\u03b1-graphene, was obtained as a black powder.", + "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: ZIF-67 Nanocubes were synthesized by a surfactant-mediated method reported previously.\nSAC synthesis: Synthesized by a similar procedure as that described for the preparation of Pt crs -Co SAs/N-doped carbon, except that 0.95 mL of H2PtCl6\u00b76H2O solution (38.0 mM) was replaced by 0.95 mL of Co(NO3)2\u00b76H2O solution (38.0 mM).", + "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: Before synthesizing the catalyst, the CNTs were acid-treated to remove any metal impurities. For acid treatment at 60\u00b0C, take a clean 100mL round bottom flask and weigh 200mg of CNT. Add 20 mL of concentrated hydrochloric acid to the bottle, and heat and stir at 60\u00b0C for 12 hours. After cooling to room temperature, the CNTs were filtered out, washed repeatedly with deionized water and methanol, and centrifuged 3-5 times. The washed CNTs were dried overnight in a vacuum oven at 60\u00b0C.\n\nGrind 200 mg of acid-treated CNTs, 100 mg of 1-butyl-3-methylimidazolium chloride in an agate mortar until there is no change in color and texture (approximately 30 min). The mixture was heated at 600 \u00b0C for 3 h under 1 L min -1 N2 flow (99.999%) (heating rate: 5 \u00b0C/min -1 ). The obtained carrier was repeatedly washed with deionized water and methanol, and centrifuged for 3-5 times. The washed activated CNTs were dried overnight in a vacuum oven at 60\u00b0C.\n\nSAC synthesis: Take 100 mg of activated CNTs and fully ultrasonically disperse them in 200 mL of deionized water. Under vigorous stirring, 1 mL of 2 mg/mL chloroplatinic acid solution was added dropwise at a rate of 2.5 uL/s. After stirring at room temperature for 3 hours, suction filtration, washing with deionized water, and drying in a vacuum oven at 60\u00b0C overnight. And then the mixture was heated at 200 \u00b0C for 2 h under 1 L min -1 H2 flow (5%) (heating rate: 5 \u00b0C/min -1 ).", + "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: 1.08 g of anhydrous manganese acetate and 0.39 g of nickel acetate were dissolved in 60 mL of DMF. 0.674 g of sodium benzoate was added under vigorous stirring for 12 hours. 1.83 g of terephthalic acid was added for another 1 hour of vigorous stirring. The solution was transferred into a 100 mL Teflon-lined autoclave at 180 \u00b0C for 10 hours. After cooling to room temperature, the product was separated by centrifugation, washed three times with DMF and ethanol, and dried overnight under vacuum at 60 \u00b0C.\nSAC synthesis: The Mn, Ni-MOFs precursor was carbonized in a tubular furnace at 900 \u00b0C. After sulfuric acid leaching, the final product of FeNi-DAC-900 was obtained.", + "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: 40 ml methanol solution containing 3.25 g 2-methylimidazole was quickly added into another 20 ml methanol solution with 1.5 g Zn(NO3)2\u00b76H2O and 14 mg Fe(NO3)3\u00b79H2O under stirring for 24 h at room temperature. The precipitates were centrifuged, washed with ethanol several times, and dried in a vacuum oven at 60 \u2103 for 8 h. Next, the obtained powder was pyrolyzed at 950 \u2103 for 30 min under ammonia atmosphere, followed by cooling down to room temperature naturally. Finally, the products were leached in 0.5 M H2SO4 at 80 \u2103 for 8 h to remove metal particles or clusters. After washing thoroughly with water and ethanol, the samples were dried in a vacuum oven at 60 \u2103 overnight before being used for further characterization or catalytic reactions.\nSAC synthesis: The Fe-N-C SAzymes were prepared through one-step annealing of a zeolitic imidazolate framework (ZIF) powder and a nitrogen-doped carbon (NC) powder. Briefly, a mixture of ZIF and NC powder with a mass ratio of 1:1 was ground together and heated to 950 \u2103 under Ar flow (100 sccm). After 1 h of pyrolysis, the mixture was allowed to cool down to room temperature naturally. Then, the resulting Fe-N-C SAzymes powder was collected for further use.", + "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: 500 mg of NiCl2\u00b76H2O was dissolved in the solvent containing 5 mL of methanol and 15 mL of deionized water to form a transparent solution. 100 mg of multiwalled carbon nanotubes (CNTs) were dispersed into 30 mL of methanol. Afterward, the solution obtained by dissolving NiCl2\u00b76H2O was added dropwise into the CNTs dispersion under vigorous stirring for 0.5 h at room temperature. The mixture was then sonicated for 1 h followed by collected by centrifugation and dried at 60 \u00b0C overnight.\nSAC synthesis: Finally, the powder was annealed at 900 \u00b0C for 1 h under Ar atmosphere with a flow rate of 50 mL min -1. The Ni content in Ni-NC@CNTs was measured to be 4.8 wt% by inductively coupled plasma atomic emission spectroscopy (ICP-AES).", + "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: ZnO NS with diameter of \u2248 120 nm was prepared by sonochemical synthesis. Briefly, aqueous solutions of Zn(CH3COO)2\u00b72H2O (4.0 mmol) and triethylamine (TEA, 8.0 mmol) were mixed in 60 mL of water. After vigorous stirring for 30 min at room temperature, the obtained precipitate was centrifuged and washed with water for three times, and then dried in vacuum at 60 \u00b0C overnight. The above synthesized ZnO NS was calcined in air at 550 \u00b0C for 4 h to obtain ZnO NM with diameter of \u2248 120 nm.\n\nFe-ZnO/ZnO NS was synthesized by electrostatic self-assembly approach. Firstly, ZnO NS with diameter of \u2248 120 nm was dispersed in 10 mL of water under ultrasonic treatment. Then, the given amount of FeCl3 (0.045 M or 0.025 M) was added into the above suspension dropwise and kept ultrasonic irradiation for another 10 min. After that, the mixture solution was stirred at room temperature for 1 h. The Fe-ZnO/ZnO NS was separated from the mixture solution by centrifugation and washed with water for five times, and then dried in vacuum at 60 \u00b0C overnight.\n\nSAC synthesis: Fe-ZnO/ZnO NS was calcined in N2 atmosphere at 900 \u00b0C for 1 h with a heating rate of 5 \u00b0C min -1. The Fe loading is 0.7 wt% and the sample is named as L-FeNC@NS.", + "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: The 1T-CrS2 was synthesized using a direct synthesis from Cr and S, following the same method as reported for 2D CrS2.\nSAC synthesis: For the doped samples, 0.5 mmol of Na2WO4\u00b72H2O was added to the above prepared 1T-CrS2 and the whole process was similar to the preparation of 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: The 1T-CrS2 was synthesized using a direct synthesis from Cr and S, following the same method as reported for 2D CrS2.\nSAC synthesis: For the doped samples, 5 mg of 1T-CrS2 was added in 30 mL of deionized water under ultrasonication. Then, a specific amount of MoCl5 (2.4 mM) solution was added to achieve the desired weight percentage of Mo. After that, the mixture was stirred for 2 h at room temperature, followed by drying at 80 \u00b0C for 12 h. Finally, the sample was calcined at 500 \u00b0C for 2 h under Ar atmosphere.", + "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: H2PdCl4\u00b76H2O solution was used as the palladium precursor.\nSAC synthesis: 1% Pd/TiO2 catalysts were prepared by using a modified strong electrostatic adsorption (SEA) method.", + "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: The (001)-faceted TiO2 was prepared by a hydrothermal method. Specifically, 3 mL of a 40% H2/N2 mixture was added into a 50 mL Teflon-lined stainless-steel autoclave containing 30 mL of Ti(OBu)4\u00b7(H2O) under 200 \u00b0C for 6 h. After cooling down to room temperature, the precipitate was collected and washed several times using pure ethanol, pure acetone, and water, and then dried at 60 \u00b0C overnight.\nSAC synthesis: The Pd/TiO2 catalysts were prepared by the deposition-precipitation method. Firstly, 0.25 g of TiO2 was dispersed in 50 mL of water. Then, a certain amount of Na2PdCl4 solution (theoretical weight of Pd was 0.5%) was added into the above mixture. After stirring for 30 min, the precipitates were collected and washed with distilled water for several times, and then dried at 60 o C for 5 hours. Finally, the samples were reduced in H2 (5 vol% H2/Ar) at 200 o C for 1 hour.", + "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: 1.736 g NaCl and 0.218 g ZnCl2 were added to a solution of 15.5 g urea (the molar ratio of NaCl/ZnCl2 = 4/1) under vigorous stirring at room temperature until the formation of a homogeneous mixture. The mixture was transferred into a Teflon-lined stainless steel autoclave, sealed, and heated to 100 \u00b0C for 4 h in an oven. After cooling to room temperature, the mixture was thoroughly ground using a mortar and pestle. The resulting salt mixture was then placed in a tube furnace and heated to 900 \u00b0C for 2 h under Ar atmosphere with a flow rate of 30 mL/min. The obtained black powder was washed with water three times by vacuum drying overnight. The final product was then obtained after the pyrolysis process.\nSAC synthesis: 1.736 g NaCl, 0.218 g ZnCl2, and 0.025 g PdCl2\u00b72NaCl were added to a solution of 15.5 g urea (the molar ratio of NaCl/ZnCl2/PdCl2\u00b72NaCl = 4/1/0.5) under vigorous stirring at room temperature until the formation of a homogeneous mixture. The mixture was transferred into a Teflon-lined stainless steel autoclave, sealed, and heated to 100 \u00b0C for 4 h in an oven. After cooling to room temperature, the mixture was thoroughly ground using a mortar and pestle. The resulting salt mixture was then placed in a tube furnace and heated to 900 \u00b0C for 2 h under Ar atmosphere with a flow rate of 30 mL/min. The obtained black powder was washed with water three times by vacuum drying overnight. The final product was then obtained after the pyrolysis process.", + "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: 2.9 g Zn(NO3)2\u00b76H2O was dissolved in 150 mL methanol to prepare solution A. 9.6 g 2-methylimidazole was dissolved in 150 mL methanol to prepare solution B. Solution A was added to solution B and kept stirring for 12 h at room temperature. After centrifugation, the final product was dried at 60 \u00b0C for 5 h. 100 mg ZIF-8 was added into 50 mL methanol solution containing 100 mg phytic acid solution, which was stirred in an oil bath at 45 \u00b0C for 2 h. After filtration, the black solid was placed in an oven at 60 \u00b0C and dried for 8 h. Then, the black solid was heated at 950 \u00b0C for 30 min in a tubular furnace with a heating rate of 5 \u00b0C min-1 under flowing Ar atmosphere. After cooling to room temperature, the product ZnN4/P-C was obtained.", + "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 graphite carbon nitride carrier was synthesized by thermal polymerization of melamine at 550 \u00b0C for 4 h.\nSAC synthesis: The Pd1/Graphene catalyst was prepared by a wet impregnation method. In the typical synthesis, PdCl2 powder was dissolved in deionized water, and then the graphene support was added to the solution. The mixture was stirred for 24 h at room temperature, and then dried at 80 \u00b0C for 12 h. Finally, the dried sample was reduced in H2 at 300 \u00b0C for 2 h.", + "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: 0.5 g of cetyltrimethylammonium bromide (CTAB) was dissolved in 70 mL of a mixed solvent of water and methanol (1:1 by volume) in a thermostatic water bath at 30 \u00b0C. 5 mL of Co(CH3COO)2\u00b74H2O (0.3 M/L) aqueous solution was added to the above solution. After stirring for 30 min, a mixed solution containing 10 mL of 2-methylimidazole solution (1.2 M/L) and a certain amount of triethylamine (TEA) was added to the above solution and kept stirring for 4 h. The product was collected via centrifugation, washed with ethanol, and dried in a vacuum oven at 60 \u00b0C overnight.\nSAC synthesis: The mixture powder of ZnCo-ZIF-2.5 was heated to 900 \u00b0C in 3 h and then maintained at this temperature for 3 h under Ar atmosphere. The obtained sample was soaked in 1 M HCl aqueous solution for about 12 h at room temperature. The suspension was centrifuged and washed with deionized water several times. The final product was dried in a vacuum oven at 60 \u00b0C overnight.", + "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: 1.08 g of anhydrous manganese acetate and 0.39 g of nickel acetate were dissolved in 60 mL of DMF. 0.674 g of sodium benzoate was added under vigorous stirring for 12 hours. 1.83 g of terephthalic acid was added for another 1 hour of vigorous stirring. The solution was transferred into a 100 mL Teflon-lined autoclave at 180 \u00b0C for 10 hours. After cooling to room temperature, the product was separated by centrifugation, washed three times with DMF and ethanol, and dried overnight under vacuum at 60 \u00b0C.\nSAC synthesis: The Mn, Ni-MOFs precursor was carbonized in a tubular furnace at 900 \u00b0C. After sulfuric acid leaching, the final product of Ni-N4-O/C-900 was obtained.", + "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: Typically, 2-methylimidazole (1.68 g, 20 mmol) was dissolved in 40 mL methanol with stirring in flask A. Zn(NO3)2\u00b76H2O (1.19 g, 4 mmol), Fe(acac)3 with a certain molar ratio were dissolved in 40 mL methanol with stirring in flask B (the Fe molar-amount compared with Zn was 6%). Then, flask A was subsequently added into flask B. The mixed solution was subsequently kept at room temperature for 24 h. The obtained product was separated by centrifugation and washed subsequently with methanol for several times, and dried in an oven at 70 \u00b0C overnight.\nSAC synthesis: Finally, the powder of Fe(acac)3-ZIF-8 was transferred into a ceramic boat and placed in a tube furnace. The sample was heated to 950 \u00b0C with a heating rate of 2 \u00b0C min-1 and kept at 950 \u00b0C for 3 h under flowing argon gas and then naturally cooled to room temperature. Then, the as-obtained powder was further diluted with HCl to remove metal particles.", + "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: The HMO was prepared by a refluxing route: MnSO4\u00b7H2O (15.97 g, 0.06 mol), (NH4)2MoS4 (2.80 g, 0.06 mol), and CH4N2S (32.0 mL, 0.21 mol) were dissolved in deionized water (0.4 L) to form a solution, which was then heated at reflux for 12 h. After cooling down, the final product was collected by filtration and washed with deionized water. Finally, the HMO was dried overnight at 105 \u00b0C in an oven.\nSAC synthesis: The Ag/HMO was prepared by a similar method to that of Au/HMO, but using silver nitrate instead of chloroauric acid.", + "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: ZnO NS with diameter of \u2248 120 nm was prepared by sonochemical synthesis. Briefly, aqueous solutions (50 mL) containing Zn(CH3COO)2\u00b72H2O (4.0 mmol) and triethylamine (TEA, 8.0 mmol) were mixed and stirred for 30 min at room temperature. After standing for 12 h at room temperature, the product was centrifugated and washed with water and ethanol, and dried in vacuum at 60 \u00b0C overnight. The core-shell ZnO@Zn/Fe-ZIF precursor was prepared by solvothermal reaction using a mixed solvent of dimethyl formamide (DMF)/H2O (3:1 v/v). ZnO NS with diameter of \u2248 120 nm was added into the mixture. After ultrasonic dispersion for 30 min, 2-methylimidazole (16 mmol), Fe(acac)3 (0.2 mmol) and Zn(NO3)2\u00b76H2O (4.0 mmol) were added to the mixture and stirred for 24 h at 150 \u00b0C under solvothermal condition. The product was centrifugated and washed with fresh solvent twice and then dried in vacuum at 60 \u00b0C overnight. SAC synthesis: As-synthesized precursors were subjected to a high-temperature annealing at 950 \u00b0C (heating rate of 5 \u00b0C min-1) for 1 h in Ar atmosphere. The calcined products were collected and marked as FeSA-NSC.", + "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: 4,4',4''-(1,3,5-triazine-2,4,6-trianiline)trianiline (Tp) was synthesized following a previously reported method. [49]\nSAC synthesis: A Pyrex tube (25 mL) was charged with 4,4',4''-(1,3,5-triazine-2,4,6-trianiline)trianiline (0.48 mmol, 0.170 g), TpPa (0.72 mmol, 0.170 g), K2[PtCl4] (0.01 mmol, 0.026 g), and N,N''-dimethylformamide (DMF; 10 mL). The mixture was sonicated for five minutes and then flash frozen in a liquid nitrogen bath and degassed through three freeze-pump-thaw cycles. The tube was sealed off and heated at 120 \u00b0C for 72 h. The precipitate was collected by centrifugation, washed with DMF and acetonitrile, and dried at 120 \u00b0C under vacuum overnight to obtain COF-316 in a yield of 84%. A quartz boat containing COF-316 powder was placed in a tube furnace and heated to the desired temperature (200, 250, 300, 350, 400, 450, and 500 \u00b0C) under a flow of N2 gas for 2 h at a rate of 2 \u00b0C/min. After cooling down to room temperature, the sample was removed from the furnace and designated as COF-316-X, where X is the pyrolysis 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. 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: 40 mg of TBA6PdP2W12O40 (1.5 mmol) was added to a solution of 30 mL of water and 10 mL of DMSO, followed by the addition of 0.8 mL of glacial acetic acid. The mixture was stirred for 1 h at room temperature. Then, 100 mg of tetrakis(4-carboxyphenyl)porphyrin (0.27 mmol) was dissolved in 10 mL of water and carefully added to the above solution under vigorous stirring. Afterwards, the mixture was heated at 90 \u00b0C for 10 h, after which the solution was allowed to cool naturally. The purple precipitate was collected by centrifugation and washed with water and ethanol three times. Finally, the product was dried at 60 \u00b0C under vacuum overnight.\nSAC synthesis: A quartz boat containing 0.2 g of powder of COF (TpPa-1) was placed in a tube furnace, which was heated to 400 \u00b0C under N2 flow (200 mL/min). The pyrolysis process was maintained at this temperature for 2 h, after which the sample was allowed to cool naturally. The resulting sample is denoted as COF (TpPa-1)-400.", + "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: 4,4',4''-(1,3,5-triazine-2,4,6-trianiline)trianiline (Tp) was synthesized following a previously reported method. [49]\nSAC synthesis: A Pyrex tube (25 mL) was charged with 4,4',4''-(1,3,5-triazine-2,4,6-trianiline)trianiline (0.48 mmol, 0.170 g), 2,5-dimethoxybenzene-1,4-dicarboxaldehyde (0.72 mmol, 0.139 g), 1,2-dichlorobenzene (3 mL), 1-butanol (3 mL), and 6 M aqueous acetic acid (0.6 mL). The tube was flash frozen at a liquid N2 bath, degassed by three freeze-pump-thaw cycles, and then sealed off. After being warmed to room temperature, the mixture was sonicated for 2 min, and then heated at 120 \u00b0C for 36 h in an oil bath. The yellow-colored precipitate was collected by centrifugation, washed thoroughly with THF, and dried in a vacuum oven at 60 \u00b0C for 24 h. COF (TpPa-1) (20 mg) and NiCl2 \u00b7 6H2O (10 mg) were separately added into acetonitrile (20 mL) and the mixtures were ultrasonicated for 10 min. Afterward, they were mixed. Upon mixing, the color of the mixture turned from yellow to red immediately. The mixture was continuously stirred at room temperature for 2 h at 60 \u00b0C. The resulting Ni -COF (TpPa-1) was filtered, thoroughly washed with excess acetonitrile, and dried by lyophilization.", + "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: 4,4',4''-(1,3,5-triazine-2,4,6-trianiline)trianiline (Tp) was synthesized following a previously reported method. [49]\nSAC synthesis: A Pyrex tube (25 mL) was charged with 4,4',4''-(1,3,5-triazine-2,4,6-trianiline)trianiline (0.48 mmol, 0.170 g), 2,5-dimethoxybenzene-1,4-dicarboxaldehyde (0.72 mmol, 0.139 g), 1,2-dichlorobenzene (3 mL), 1-butanol (3 mL), and 6 M aqueous acetic acid (0.6 mL). The tube was flash frozen at a liquid N2 bath, degassed by three freeze-pump-thaw cycles, and then sealed off. After being warmed to room temperature, the mixture was sonicated for 2 min, and then heated at 120 \u00b0C for 36 h in an oil bath. The yellow-colored precipitate was collected by centrifugation, washed thoroughly with THF, and dried in a vacuum oven at 60 \u00b0C for 24 h. COF (TpPa-1) (20 mg) and zinc acetate dihydrate (Zn(OAc)2\u00b72H2O (10 mg) were separately added into acetonitrile (25 mL) and the mixtures were ultrasonicated for 10 min. Afterward, they were mixed. Upon mixing, the color of the mixture turned from yellow to red immediately. The mixture was continuously stirred at room temperature for 2 h at 60 \u00b0C. The resulting Zn -COF (TpPa-1) was filtered, thoroughly washed with MeOH, and dried in a vacuum oven at 60 \u00b0C overnight.", + "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: 10 mL of tetrabutyl titanate and 1.5 mL of hydrofluoric acid solution (47%) were mixed under stirring in a dried Telfon-lined autoclave (25 ml) and heated at 200 \u00b0C with stirring for 24 h. After cooling, the white precipitates were separated by high-speed centrifugation and washed with ethanol and distilled water several times. Finally, the powder was dispersed in 0.1 M NaOH aqueous solution and stirred for 8 h at room temperature. The power was recovered by high speed centrifugation, washed with distilled water and ethanol several times and finally dried at vacuum oven.\nSAC synthesis: Pt/TiO2 nanosheets were prepared according to the literature. 20 Typically, Pt/TiO2 nanosheets were prepared by coating Pt on the surface of TiO2 nanosheets using a modified active-passive micro-emulsion method. Briefly, 0.5 g of TiO2 nanosheets were dispersed in 50 ml of deionized H2O, and then 0.35 ml of H2PtCl6\u00b76H2O (2 mg/ml) was added into the above mixture. Then, 0.5 g of dopamine (DP), 0.25 g of hexamethylenetetramine (HMTA), and 0.25 g of trizma base were added to the above solution sequentially. After stirring at room temperature for 12 h, the as-obtained Pt/TiO2 nanosheets were collected by filtration and washed with deionized H2O. The final product was obtained after drying at vacuum oven.", + "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: 0.2 g glucose, 2 g dicyandiamide, and the same moles of Cobalt chloride hexahydrate (CoCl2\u00b76H2O) as Nickel chloride hexahydrate (NiCl2\u00b76H2O) were dispersed in 70 mL deionized water and stirred for 12 h to get a homogeneous solution.\nSAC synthesis: The solution was quickly frozen by liquid nitrogen and freeze-dried in a freeze dryer with vacuum. Afterward, the resultant powders were pyrolyzed at 550 \u00b0C for 2 h and 800 \u00b0C for 2 h under a flowing Ar atmosphere. The as-obtained product was denoted as Co SAs/AC@NG.", + "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: 0.2 g glucose, 2 g dicyandiamide, and the same moles of Iron chloride hexahydrate (FeCl3\u00b76H2O) as Cobalt chloride hexahydrate (CoCl2\u00b76H2O) were dispersed in 70 mL deionized water and stirred for 12 h to get a homogeneous solution.\nSAC synthesis: The solution was quickly frozen by liquid nitrogen and freeze-dried in a freeze dryer with vacuum. Afterward, the resultant powders were pyrolyzed at 550 \u00b0C for 2 h and 800 \u00b0C for 2 h under a flowing Ar atmosphere. The as-obtained product was denoted as Fe SAs/AC@NG.", + "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: 0.2 g glucose, 2 g dicyandiamide, and the same moles of Nickel chloride hexahydrate (NiCl3\u00b76H2O) as Cobalt chloride hexahydrate (CoCl2\u00b76H2O) were dispersed in 70 mL deionized water and stirred for 12 h to get a homogeneous solution.\nSAC synthesis: The solution was quickly frozen by liquid nitrogen and freeze-dried in a freeze dryer with vacuum. Afterward, the resultant powders were pyrolyzed at 550 \u00b0C for 2 h and 800 \u00b0C for 2 h under a flowing Ar atmosphere. The as-obtained product was denoted as Ni SAs/AC@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: In a typical procedure, 1.5 mL of tin chloride hydrate solution (SnCl4\u00b7xH2O, 37.5 mg) was dropped into 30 mL of ethanol under ultrasound to form SnO2 NPs. After that, 36 mg of CTAB and 300 mg of oleylamine were added to the above solution, followed by stirring for 1 h at room temperature. Then, the homogeneous solution was translated into a 50 mL Teflon-lined stainless-steel autoclave and translated to 180 \u00b0C for 3 h. After cooling down to room temperature, the SnO2 NPs/OAm/CTAB nanosol was collected by centrifugation and used for further characterization.\nSAC synthesis: Firstly, SnO2@Ag NPs/OAm/CTAB nanosol was collected by centrifugation. Then, it was translated 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 3 h under flowing argon gas and then naturally cooled to room temperature. Then, the obtained powder was translated into a 0.5 M H2SO4 solution and stirred for 8 h at 80 \u00b0C. After filtering and washing with ultrapure water, the Ag1-SnO2@C was obtained and dried at 60 \u00b0C before further use.", + "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: 1.0 mL of tetraethylorthosilicate (TEOS) was dropwise added into a well-mixed solution containing 40 mL DI water, 15 mL of ethanol, and 0.5 mL NH3\u00b7H2O (28%) for 1 h to form SiO2 suspension. 4 mL of dopamine hydrochloride (DA\u00b7HCL) aqueous solution (0.26 mol/L) were injected into the above suspension. The suspension was rapidly turned into brown, indicating the formation of polydopamine (PDA). The resulting PDA layer was allowed to coat on the surface of silica particles for 1 day under continuous stirring at room temperature. The resulting SiO2@PDA powder was collected by centrifugation and washed with DI water three times. Finally, SiO2@PDA powder was obtained after drying in a vacuum oven at 70 \u00b0C overnight. SAC synthesis: The as-obtained SiO2@PDA powder was transferred into a tube furnace system and annealed at 900 \u00b0C for 2 h under Ar gas flow. The black powder was etched with 5% HF solution to remove the silica template. After filtration, copiously washing with DI water, and drying in a vacuum oven at 70 \u00b0C overnight, the final product was achieved and denoted as NC.", + "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: 2.5 mmol of zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O, Sinopharm Chemical Reagent Co., Ltd.) was dissolved in 30 mL of methanol to form solution A. 2.5 mmol of 2-methylimidazole (C4H6N2, Aladdin Bio-Chem Technology Co., Ltd.) and 0.015 mmol of cetyltrimethylammonium bromide (CTAB, Aladdin Bio-Chem Technology Co., Ltd.) were dissolved in 10 mL of methanol to form solution B. Solution A was then added into solution B drop by drop. The mixed solution was then vigorously stirred at room temperature for 2 h. The obtained precipitate was centrifuged and washed with methanol three times and dried at 60 \u00b0C for overnight. SAC synthesis: The powder of ZIF-8 nanocrystals was placed in a tube furnace and then heated to the 950 \u00b0C for 3 h at the heating rate of 5 \u00b0C/min under flowing argon gas and then naturally cooled to room temperature. Then the sample was further diluted HCl to remove metal particles or clusters.", + "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: 1.0 g of iron nitrate nonahydrate was selected as the iron precursor.\nSAC synthesis: The catalysts were prepared through a simple ball-milling method in a planetary ball-mill (Fritsch Pulverisette 7 Premium). In a typical experiment, 60 mg of carbon black (Ketjen Black ECP60JD) was mixed with 50 mg of iron nitrate nonahydrate. Then, 4 mL of ethanol (C2H6O) was added to the mixture and the resulting powder was sonicated for 30 min using an ultrasonic bath. After that, the powder was collected by centrifugation and dried at 80 \u00b0C under vacuum. Finally, the dried powder was ground in a quartz mortar for 10 min and then subjected to heat treatment at 900 \u00b0C under N2 flow for 2 h. The obtained sample is denoted herein as FeSA/Al2O3.", + "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: First, 0.695 g of polyvinylpyrrolidone (PVP, Mw 360000, Sigma) was dissolved in 15 mL of ethylene glycol (Sigma) at 80 \u00b0C, then, 0.105 g of AgNO3 (Sigma) was added into the solution under stirring at room temperature. Meanwhile, 0.045 g of NaCl and 0.045 g of NaBr were dissolved in ethylene glycol (5 mL), respectively. 150 \u03bcL of NaCl solution and 150 \u03bcL of NaBr solution were added into 9 mL of ethylene glycol. Subsequently, the obtained PVP solution and NaCl/NaBr solution were mixed and stirred at room temperature for 10 min. The precipitates were collected by centrifugation and washed twice with ethylene glycol. Finally, the Ag nanowires were obtained by drying at 60 \u00b0C for 5 h.\nSAC synthesis: The Ag2O/Fe-Ag nanowires were prepared by electrospinning method. Briefly, 0.15 g of Fe-Ag nanowires powder was loaded into a syringe (20 mL) with a steel needle. A positive voltage of 14 kV was supplied to the needle. The feeding rate, operating temperature, and distance between needle and collector of tinfoil were set as 1.5 mL h-1, 30 \u00b0C, and 16 cm, respectively. Then, the obtained Ag2O/Fe-Ag nanowires film was moved into a vacuum oven to remove the solvent at 60 \u00b0C for 5 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." + } + ], + "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: ZnO NS with diameter of \u2248 120 nm was prepared by sonochemical synthesis. Briefly, aqueous solutions of Zn(CH3COO)2\u00b72H2O (4.0 mmol) and triethylamine (TEA, 8.0 mmol) were mixed in 60 mL of water. After stirring for 30 min, aqueous solution of NaOH (1.2 M, 16 mL) was added to the above solution under slow addition. After stirring for another 1 h, the precipitates were centrifuged and washed with water for three times, and then dried in vacuum at 60 \u00b0C overnight. The obtained powder was calcined in air at 550 \u00b0C for 4 h, yielding ZnO NS. Then, as-prepared ZnO NS was used as the support material in the following steps.\n\nSAC synthesis: For comparison, Fe SAs/NCNs was also prepared by using ZIF-8 as the precursor. In detail, 1.6 g of Zn(NO3)2\u00b76H2O (4.0 mmol), 0.2 g of Fe(acac)3 (0.8 mmol) and 2.0 g of ZIF-8 (24.0 mmol) were dissolved in 60 mL of methanol (solution A). 4.8 g of 2-methylimidazole (60.0 mmol) was dissolved in 60 mL of methanol (solution B). Then, solution A was added to solution B and stirred for 24 h at room temperature. Finally, Fe SAs/NCNs was obtained after pyrolysis process (the procedure was the same as that of Fe SAs/NCNs except without adding ZnO NS).", + "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: First, 0.1 g of iron (II) acetate, 0.1 g of cobalt (II) acetate tetrahydrate, 0.3 g of polyvinylpyrrolidone, and 0.5 g of melamine were mixed and added into an agate milling jar (50 mL). Then 20 zirconia balls (4 mm diameter) were added. The milling jar was placed in a planetary ball milling machine and milled at 400 rpm for 2 h. When the ball milling was finished, the zirconia balls were separated, and the powder was stirred with 15 mL of ethanol for 30 min and dried at 60 \u00b0C for 5 h. Then the dried powder was heated to 900 \u00b0C at a rate of 5 \u00b0C/min under Ar atmosphere and maintained at this temperature for 2 h. After cooling down to room temperature, the product was successively leached at 80 \u00b0C under vacuum overnight to remove unstable metallic species. Finally, the sample was heated again as described above to obtain the final product.\nSAC synthesis: The FeCo-N-CNS was prepared by a similar method to FeCo-N-CNS except that the pyrolysis temperature was decreased to 700 \u00b0C.", + "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: ZnO NS with diameter of \u2248 120 nm was prepared by sonochemical synthesis. Briefly, aqueous solutions of Zn(CH3COO)2\u00b72H2O (4.0 mmol) and triethylamine (TEA, 8.0 mmol) were mixed in 60 mL of water. After vigorous stirring for 30 min, the mixture was aged at 60 \u00b0C for 12 h. The product was collected by centrifugation and washed with water for three times, and then dried in vacuum at 60 \u00b0C overnight. ZIF-8 NS with diameter of \u2248 120 nm was prepared by solvothermal method. Briefly, a solvothermal reaction between ZnO NS and 2-methylimidazole (Zn/Fe molar ratio = 0.5, solvent: methanol) was conducted at 100 \u00b0C for 24 h. The product was collected by centrifugation and washed with methanol for three times, and then dried in vacuum at 60 \u00b0C overnight. Zn(NO3)2\u00b76H2O (0.96 g), Fe(acac)3 (9 mg), and Mn(acac)3 (12 mg) were dissolved in 30 mL of methanol to form a transparent solution A. 2-Methylimidazole (1.23 g) was dissolved in 12 mL of methanol to form a solution B. Solution A was poured into solution B under vigorous stirring. Then, the mixed solution was transferred into a 50 mL Teflon-lined stainless-steel autoclave and kept at 100 \u00b0C for 24 h. The product was collected by centrifugation and washed with methanol for three times, and then dried in vacuum at 60 \u00b0C overnight. SAC synthesis: The as-prepared ZIF-8@Zn/Mn NS was 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 3 h under flowing argon gas and then cooled down to room temperature. Then, the product was collected and marked as SA-Co-Fe-Mn/NCNS. The SA-Co-Fe-Mn/NCNS was etched in 2.5 M HCl solution for 12 h to remove unstable species. After filtration, copiously washing with deionized water, and drying, the final product was obtained and denoted as SA-Co-Fe-Mn/NSC.", + "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: 500 mg of NiCl2\u00b76H2O was dissolved in the solvent containing 5 mL of methanol and 15 mL of deionized water to form a transparent solution. 100 mg of graphene oxide (GO) powder was dispersed into 20 mL of deionized water. The mixed solution was added dropwise into the GO dispersion under vigorous stirring. After that, the mixture was ultrasonicated for 30 min, and then dried at 80 \u00b0C for 12 h. The dried sample was first calcined in a tube furnace at 400 \u00b0C for 2 h under a flowing argon atmosphere, and then further treated at 900 \u00b0C for 2 h under a flowing ammonia atmosphere with a ramping rate of 5 \u00b0C/min. The final product was denoted as Ni-N4-O/G.\nSAC synthesis: A certain amount of Ni-N4-O/G and urea were placed in a porcelain boat with a lid. Then, the boat was heated at 900 \u00b0C for 2 h under a flowing ammonia atmosphere with a ramping rate of 5 \u00b0C/min. The obtained powder was named Ni-N4-O/G-900.", + "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: 4.5 g of boric acid was added to 10 mL of graphene oxide suspension (GO, 8 mg mL -1 ). The mixture was treated with ultrasound for 0.5 h and then transferred to a 100 ml Teflon-lined stainless-steel autoclave, where it was subjected to hydrothermal treatment for 10 h at 180 \u00b0C. After cooling to the ambient temperature, 5 g of urea was added to the resulting black suspension and continued hydrothermal treatment at 180 \u00b0C for 12 h. After suction filtration, freeze-dried overnight under vacuum to obtain nitrogen-doped carbon (NC).\nSAC synthesis: 3.75 mg CoPc compound was dissolved in 60 mL DMF solution. The solution was acquired by adding 10 mg NC as support. The mixture was sonicated for 1 h and then stirred continuously for 24 h at room temperature. The product was obtained by suction filtration and dried in an oven at 60 \u2103 for 12 h. Finally, the powder was heated to 200 \u2103 in N2 protection and kept for 2 h.", + "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: 2-Methylimidazole (1.314 g, 16 mmol) was dissolved in 15 mL of methanol as solution A. CNTs (100 mg) and Fe(acac)3 (30 mg) were dissolved in 30 mL of methanol as solution B. Solution A was then transferred dropwise into solution B. The mixed solution was then vigorously stirred at room temperature for 24 h. The obtained precursor was centrifuged and washed with methanol three times and finally dried at 60 \u00b0C under vacuum for overnight. SAC synthesis: The precursor was then transferred into a ceramic crucible and placed in an argon-filled tube furnace. The powder was heated from room temperature to 900 \u00b0C with a heating rate of 5 \u00b0C min-1 and further annealed at 900 \u00b0C for 3 h under an argon atmosphere with a flow rate of 30 mL min-1. Acid leaching: The powder was stirred in 25 mL of 0.5 M H2SO4 at 80 \u00b0C for 8 h. The product was collected by vacuum filtration and dried under vacuum overnight. The dried product was then transferred into a ceramic crucible and placed in an argon-filled tube furnace for subsequent pyrolysis with the same conditions as mentioned above. The final product of Fe SA/NCNTs was collected after naturally cooling to room temperature.", + "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: Firstly, 2 mmol of dopamine hydrochloride was dissolved in 20 ml of deionized water, and the pH value was adjusted to 2 by adding 800 \u03bcl HCl (1 mol L -1 ). Then, 0.5 mmol of hexamethylenetetramine was added to form polydopamine. After polymerization for 24 h, the PDA-coated SiO2 spheres were obtained. The resulting grey powder was subsequently carbonized at 900 \u00b0C for 3 h, with a ramping rate of 5 \u00b0C min -1 under N2 protection. The obtained black powder was etched in 2 M NaOH at 80 \u00b0C for 12 h to remove the silica template. After filtration, copiously washing with deionized water and drying at 60 \u00b0C, the resulting porous carbon framework was denoted as NC(MP).\nSAC synthesis: The PtSA/PtNP-PtC/NC(MP) catalyst was prepared by incipient wetness impregnation method. Briefly, 100 mg of NC(MP) support was slowly added into a mixed solution containing 2.7 ml H2PtCl6\u00b76H2O (2.7 mg Pt /ml), followed by stirring for 1 h, and then drying at 60 \u00b0C overnight. Finally, the sample was reduced at 300 \u00b0C under 10% H2/He for 2 h.", + "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: First, 0.75 g of MnSO4\u00b7H2O was dissolved in 10 mL of ethanol. After that, 0.25 g of CTAB (bile acid) was added into the above solution and stirred for 1 h. Then, 1.5 mL of TEOS was injected into the above solution and reacted for 3 h under room temperature. The product was collected by centrifugation and washed several times with ethanol to remove residual bile acid. Finally, MnO2 nanorods were obtained by calcination at 600 \u00b0C for 5 h under air.\nSAC synthesis: First, 0.25 g of PdCl2\u00b72NaH2O was dissolved in 10 mL of methanol. After that, 0.25 g of MnO2 nanorods were added into the above solution and stirred for 12 h under room temperature. The product was collected by centrifugation and washed several times with methanol to remove residual PdCl2\u00b72NaH2O. Finally, Pd1/MnO2 nanorods were obtained by calcination at 300 \u00b0C for 5 h under air.", + "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: None.\nSAC synthesis: Slowly add 100 mg g-C3N4 to 1.9 \u00d7 10^-2 M H2PtCl6 aqueous solution (0.9 mL). Ar gas was introduced into the solution for 15 min. The mixture was stirred at room temperature for 2 h. The mixture was centrifuged, and the obtained precipitate was washed with DI water three times and dried in vacuum at 60 \u00b0C for 12 h.", + "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: 0.1 g of ZIF-8 is added to 10 mL of 0.01 M Ni(NO3)2\u00b76H2O solution and stirred for 12 h at room temperature.\nSAC synthesis: The mixture is then dried at 80 \u00b0C for 12 h. The dried product is calcined at 900 \u00b0C for 2 h under an Ar atmosphere with a heating rate of 5 \u00b0C min\u22121.", + "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: Nickel acetate tetrahydrate and 1,10-phenanthroline monohydrate were used as precursors.\nSAC synthesis: For the preparation of Ni-SAC/O-C, 29 mg of nickel acetate tetrahydrate and 68 mg of 1,10-phenanthroline monohydrate were dissolved in 5 ml ethanol with continuous stirring for 30 min. Then, a piece of carbon paper (CP, TORAY) was added to the solution, and the resulting solution was heated at 60 \u00b0C with stirring for 10 h. Subsequently, the resulting mixture was heated at 80 \u00b0C in air for 1 h to evaporate ethanol, yielding a black solid product. The obtained black solid product was ground with a mortar and pestle, then heated to 600 \u00b0C at a rate of 10 \u00b0C/min under Ar atmosphere and held at 600 \u00b0C for 2 h. After cooling down naturally, the powder was soaked in 0.5 M HCl solution at 80 \u00b0C for 12 h to remove active and stable species. Finally, the powder was collected by filtration and dried at 60 \u00b0C under vacuum overnight.", + "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 of melamine, 0.5 mmol of Co(NO3)2\u00b76H2O, 0.5 mmol of Zn(NO3)2\u00b76H2O, 0.5 mmol of Mn(NO3)2\u00b76H2O, 0.5 mmol of Fe(NO3)2\u00b76H2O, 0.5 mmol of Cu(NO3)2\u00b76H2O, 0.5 mmol of AgNO3, and 0.5 mmol of Na2MoO4 were dissolved in 80 mL of deionized water to form a homogeneous solution. The mixture was then dried at 90 \u00b0C for 12 h. The obtained powder was calcined at 550 \u00b0C for 2 h under an argon atmosphere with a heating rate of 5 \u00b0C/min. The product was denoted as Co-Zn-Mn-Fe-Cu&Ag/HPC.\nSAC synthesis: Co-Zn-Mn-Fe-Cu&Ag/HPC was mixed with sodium sulfide nonahydrate in a mass ratio of 1:2 and ground for 10 min. The mixture was then calcined at 350 \u00b0C for 2 h under an argon atmosphere with a heating rate of 5 \u00b0C/min. The final product was denoted as Co-Zn-Mn-Fe-Cu&Ag/HPC-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: 20 mg of NiCl2 \u00b7 6H2O (Adamas, 99%), 0.9 g of C6H12N4 (Adamas, 98%), and 3.5 g of NH4OH (Sinopharm Chemical Reagent Co., Ltd.) were added into deionized water and stirred for 30 min. The above solution was transferred to a Teflon-lined autoclave and hydrothermally treated at 180 \u00b0C for 6 h. The obtained powder was centrifuged and then dried at 60 \u00b0C for 12 h. Next, the dried powder was transferred into a quartz tube furnace and annealed at 900 \u00b0C for 2 h under N2 atmosphere. Finally, the sample was reduced with 10 vol% H2 in N2 at 400 \u00b0C for 2 h. The Ni content in the catalyst was measured to be 1.2 wt% by inductively coupled plasma atomic emission spectrometry (ICP-AES).", + "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: The synthesis of GO was modified from a previously reported method. Typically, 1 g of graphite powder was added into concentrated H\u2082SO\u2084 (98 wt%) in a 50 mL Teflon-lined autoclave and sonicated for 30 min. Afterwards, the autoclave was sealed and maintained at 200 \u00b0C for 16 h. When the autoclave cooled down to room temperature naturally, the mixture was transferred into a 50 mL centrifuge tube and centrifuged twice at 10,000 rpm for 30 min. The resulting precipitate was centrifuged again at 5000 rpm for 30 min to obtain the final GO product. Finally, the GO was dissolved in Milli-Q water at a concentration of 1 mg mL\u207b\u00b9.\nSAC synthesis: 100 \u03bcL of NiCl\u2082\u00b76H\u2082O (3 mg mL\u207b\u00b9) solution was added into 40 mL of GO solution (2 mg mL\u207b\u00b9) under sonication. Afterwards, the mixture was hydrothermally treated at 180 \u00b0C for 6 h. The resulting suspension was freeze-dried before being annealed at 900 \u00b0C for 1 h under Ar atmosphere. After cooling down to room temperature naturally, the Ni-N/rGO was obtained.", + "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 acetylene black (100 mg) was first dispersed in ultrapure water (20 mL) by sonication. Then, the metal precursor solution (5 mL of 0.01 mol L -1 H2PtCl6 and 3 mL of 0.3 mol L -1 citric acid) was added dropwise into the dispersion under vigorous stirring at room temperature for 1 h. After that, the resulting mixture was dried at 80 \u00b0C for 12 h. Finally, the dry powder was reduced in a flow of 5% H2/N2 (50 mL min -1 ) at 400 \u00b0C for 2 h to obtain Pt/AC catalyst.", + "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: 100 mg of black carbon and 300 mg of melamine were added into a mixture solvent of 20 mL of ethanol and 20 mL of water, which was stirred for 5 min. Then, 0.5 mL of NH3 \u00b7 H2O (28%) was added to the above solution under vigorous stirring for 1 h at room temperature. Subsequently, 0.5 mL of ethyl orthosilicate was injected into the above mixture and kept stirring for another 1 h. The as-obtained precipitates were separated by centrifugation and dried in vacuum at 70 \u00b0C overnight. Finally, the powder was calcined at 900 \u00b0C for 2 h under Ar atmosphere to obtain porous carbon spheres (PCS).\nSAC synthesis: For comparison, Rh/PCS sample was also prepared by using Rh(acac)3 as precursors. First, 50 mg of PCS was dispersed in 20 mL of ethanol by ultrasonication for 5 min. Then, 10 mg of Rh(acac)3 was added into the above solution and stirred for 24 h at room temperature. After that, the mixture was dried in vacuum at 70 \u00b0C overnight. Finally, the powder was calcined at 500 \u00b0C for 2 h under Ar atmosphere.", + "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: 10 mL of tetrabutylammonium hydroxide (TBAB, 2.5 mmol) was added to a solution of 34.6 mg (0.17 mmol) of H2PdCl4\u00b76H2O in 5 mL of water under vigorous stirring. Afterwards, 1 mL of aqueous solution containing 19.3 mg (0.17 mmol) of quinoxaline (QO) was added dropwise to the above mixture and stirred for another 1 h. Then, 1 mL of aqueous solution containing 68.6 mg (0.35 mmol) of CTAB was added to the obtained mixture and stirred for another 2 h at room temperature. The obtained yellowish solution was transferred to a Teflon lined autoclave and kept at 160 \u00b0C for 8 h. After cooling down to room temperature, the brownish red colloidal solution was collected by centrifugation and further purified by ethanol. Finally, the Pd-QOx NPs were obtained by drying at 60 \u00b0C under vacuum.\nSAC synthesis: 0.2 g of as prepared Pd-QOx NPs was dispersed in 5 mL of methanol under sonication. Afterwards, 1 mL of aqueous solution containing 20 mg of EDOTA was added to the above mixture and further sonicated for 1 h. The obtained solution was then irradiated by UV light for 3 h, during which the Pd-QOx NPs/EDTA solution turned from brownish red to yellowish. After irradiation, the solution was centrifuged and further purified by ethanol, obtaining the product denoted as Pd-QOx NPs/EDTA-UV.", + "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: 10 mL of N,N-dimethylformamide (DMF) was added to a vial containing 2,5-hydroxyterephthalic acid (HBC) (34 mg, 0.2 mmol) and ruthenium(III) chloride trihydrate (RuCl3\u00b7xH2O) (16 mg, 0.06 mmol). The reaction mixture was sonicated for 5 min and heated at 90 \u00b0C for 24 h. The resulting black precipitate was cooled to room temperature, collected by centrifugation, and washed with DMF four times (30 mL \u00d7 4) over 24 h. The product was then collected from the DMF suspension by centrifugation and washed with acetone four times (30 mL \u00d7 4). Finally, the product was dried under dynamic vacuum overnight at room temperature. Yield: 21 mg (75% based on HBC).\nSAC synthesis: A quartz boat contained 0.2 g of the powder of Ru-MOF-808-EDTA was placed in a tube furnace. The sample was heated to 900 \u00b0C with a heating rate of 5 \u00b0C/min and kept at 900 \u00b0C for 2 h under flowing argon gas. The furnace was naturally cooled to room temperature. The resulting black powder was identified as Ru-N-C-EDTA. Yield: 34 mg (98% based on Ru-MOF-808-EDTA).", + "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: 12.5 mmol of Cu(NO3)2\u00b74H2O (2.97 g) was dissolved in 50 mL of methanol as solution A. 50 mmol of 2-methylimidazole (5.60 g) and 0.25 mmol of Zn(NO3)2\u00b76H2O (0.75 g) were dissolved in 50 mL of methanol as solution B. Solution A was poured into solution B with stirring at room temperature for 24 h. The obtained product was centrifuged, washed with ethanol, and dried at 60 \u00b0C for 5 h. The powder was heated to 900 \u00b0C in N2 atmosphere for 2 h. The Cu content in the catalyst was measured to be 0.5 wt%.\nSAC synthesis: 12.5 mmol of Cu(NO3)2\u00b74H2O (2.97 g) was dissolved in 50 mL of methanol as solution A. 50 mmol of 2-methylimidazole (5.60 g) and 0.25 mmol of Zn(NO3)2\u00b76H2O (0.75 g) were dissolved in 50 mL of methanol as solution B. Solution A was poured into solution B with stirring at room temperature for 24 h. The obtained product was centrifuged, washed with ethanol, and dried at 60 \u00b0C for 5 h. The powder was heated to 900 \u00b0C in N2 atmosphere for 2 h.", + "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: 169 mg of ZrCl4 and 121 mg of H2BDC were dissolved in a mixed solution of 28 mL DMF in a 50 mL Teflon-lined stainless-steel autoclave. The mixture was sealed and allowed to react at 120\u2103 for 12 h. The product was collected by centrifugation, washed three times with DMF and ethanol, and dried under vacuum for 12 h at 60 \u2103.\nSAC synthesis: A quartz boat contained 20 mg of NiCl2\u00b76H2O powder was placed in the tube furnace on the upstream of N2 flow (10 mL/min), and another quartz boat filled with 1,000 mg of MBT was placed on the downstream. Next, the boats were heated to a specific temperature at a ramp rate of 5 \u2103/min under 10 mL/min N2 flow for 1 h. The sample was further increased to 700 \u2103 at a ramp rate of 5 \u2103/min and maintained at this temperature for 3 h. After cooling down to room temperature, the resulting black powder (Ni-MBT@ZrO2) was collected and used for further characterization.", + "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: 10 mL of N,N-dimethylformamide (DMF) was added to a vial containing 2,5-hydroxyterephthalic acid (HBC) (34 mg, 0.2 mmol) and 56 mg (0.2 mmol) of Co(NO3)2\u00b76H2O. The resulting solution was sonicated for 5 min and heated at 90 \u00b0C for 24 h. After cooling to room temperature, the solid was filtered and washed with DMF four times (30 mL \u00d7 4) over 24 h. Yellow crystals were obtained after drying under vacuum at 60 \u00b0C for 12 h. Yield: 74 mg (65% based on HBC).\nSAC synthesis: A quartz boat contained 2,5-hydroxyterephthalic acid (HBC)-Co (100 mg, 0.21 mmol) powder was placed in a tube furnace. The sample was heated to 800 \u00b0C with a heating rate of 5 \u00b0C/min and kept at 800 \u00b0C for 3 h under an Ar atmosphere. After that, the sample was cooled down to room temperature. The product was then collected and treated with a 5% H2/Ar solution at 50 \u00b0C for 24 h to remove any possible unstable metal species. The final solid was dried under vacuum at 60 \u00b0C for 12 h.", + "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: 10 mL of tetrabutylammonium hydroxide (TBAB) solution (2.5 M) was added to a solution of 34.6 mg of H2PtCl6\u00b76H2O in 50 mL of water. The mixture was stirred at room temperature for 30 min, and then 100 mg of MBT was further added. The resulting suspension was stirred at 70 \u00b0C for 24 h. The product was collected by centrifugation and washed with water three times before being freeze-dried overnight under vacuum.\nSAC synthesis: A powder of Pt-MBT was placed in a tube furnace and heated to 600 \u00b0C for 2 h at a rate of 5 \u00b0C/min under flowing N2 gas. After cooling to room temperature naturally, the sample was collected and referred to as Pt-MBT-600.", + "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: 126 mg of rhodium acetate and 350 mg of polyvinylpyrrolidone were dissolved in a mixture solution containing 2 mL of ethanol and 4 mL of water. Then, 29.6 mg of carbon black (Ketjen Black EC 300J) was added into the above solution under ultrasonic condition for 30 min. The resulting mixture was stirred at room temperature until the solvent completely evaporated. After drying overnight in a vacuum oven at 70 \u00b0C, the resulting powder was ground with a mortar and pestle to obtain a fine powder. Finally, the powder was heated up in a tube furnace to 800 \u00b0C under a gas flow rate of 100 cm\u00b3 min\u207b\u00b9 and maintained at this temperature for 2 h under Ar atmosphere. After cooling down naturally, the final product was obtained. For comparison, a control sample was prepared using a similar procedure except that only 126 mg of rhodium acetate was used as the precursor.\nSAC synthesis: The Rh single atom catalysts were prepared by a simple impregnation method followed by pyrolysis. In a typical synthesis, 126 mg of rhodium acetate and 350 mg of polyvinylpyrrolidone were dissolved in a mixture solution containing 2 mL of ethanol and 4 mL of water. Then, 29.6 mg of carbon black (Ketjen Black EC 300J) was added into the above solution under ultrasonic condition for 30 min. The resulting mixture was stirred at room temperature until the solvent completely evaporated. After drying overnight in a vacuum oven at 70 \u00b0C, the resulting powder was ground with a mortar and pestle to obtain a fine powder. Finally, the powder was heated up in a tube furnace to 800 \u00b0C under a gas flow rate of 100 cm\u00b3 min\u207b\u00b9 and maintained at this temperature for 2 h under Ar atmosphere. After cooling down naturally, the final product was obtained. For comparison, a control sample was prepared using a similar procedure except that only 126 mg of rhodium acetate was used as the precursor.", + "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: 2.5 mmol of manganese nitrate solution in methanol and 10 mmol of 2-methylimidazole in methanol were mixed to obtain the precursor.\nSAC synthesis: The precursor was heated at 60 \u00b0C for 24 h under stirring, and then pyrolyzed at 900 \u00b0C under Ar gas conditions for 2 h to obtain Mn-N-C.", + "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: 2.9 g Zn(NO3)2\u00b76H2O was dissolved in 150 mL methanol to prepare solution A. 9.6 g 2-methylimidazole was dissolved in 150 mL methanol to prepare solution B. Solution A was added to solution B and kept stirring for 12 h at room temperature. After centrifugation, the final product was dried at 60 \u00b0C for 5 h. 100 mg ZIF-8 was added into 50 mL methanol solution containing 100 mg phytic acid solution, which was stirred in an oil bath at 45 \u00b0C for 2 h. After filtration, the black solid was placed in an oven at 60 \u00b0C and dried for 8 h. Then, the black solid was heated at 950 \u00b0C for 30 min in a tubular furnace with a heating rate of 5 \u00b0C min-1 under flowing Ar atmosphere. After cooling to room temperature, the product ZnN4/P-C was obtained.", + "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: 0.1 g of ZIF-8 is added to 10 mL of 0.01 M Ce(NO3)3\u00b76H2O solution and stirred for 12 h at room temperature.\nSAC synthesis: The mixture is then dried at 80 \u00b0C for 12 h. The dried product is calcined at 900 \u00b0C for 2 h under an Ar atmosphere with a heating rate of 5 \u00b0C min\u22121.", + "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: 1.0 g of La(NO\u2083)\u2083\u00b76H\u2082O was dissolved in 30 mL of deionized water and then 2.0 g of Na\u2082CO\u2083 was added under vigorous stirring. The mixture was aged for 12 h at room temperature, followed by filtration and washing with deionized water. The obtained solid was dried at 80 \u00b0C overnight and then calcined in static air at 400 \u00b0C for 2 h to obtain the La(NO\u2083)\u2083\u00b76H\u2082O support. Before use, the support was ground into a fine powder.\nSAC synthesis: 25 mg of La(NO\u2083)\u2083\u00b76H\u2082O was dispersed in 10 mL of deionized water under ultrasonication for 10 min. Then, 0.01 g of Na\u2082PdCl\u2084 and 0.02 g of NaBH\u2084 were added under vigorous stirring. After that, 10 mL of NaBH\u2084 solution (1 mol/L) was slowly added to the above suspension and stirred for 12 h at room temperature. The suspension was filtered and thoroughly washed with deionized water to remove all possible ions. Then, the filter cake was dried at 80 \u00b0C overnight and calcined in static air at 500 \u00b0C for 2 h. Finally, the sample was reduced in pure H\u2082 (flow rate: 100 mL/min) at 200 \u00b0C for 1 h before conducting further characterization and catalytic evaluation.", + "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: 400 \u03bcL pyrrole monomer is added into 3 mL ethanol/water solution (v/v=1:1). 2.799 g of FeCl3\u00b76H2O and 0.82 g of CoCl2\u00b76H2O are dissolved into the same solution. The other steps are the same as the preparation methods of Fe-B-Co/NC.\nSAC synthesis: The two solutions are mixed after cooling to about 4 \u00b0C and aged for 24 h to form a stable black gel. The gel is purified with deionized water, freeze-dried, and then annealed for 2 h in a nitrogen atmosphere at 800\u00b0C with a heating rate of 5\u00b0C min-1. The pyrolyzed products are leached in 1 M H2SO4 solution for 8 h at 70 \u00b0C, washed with deionized water, and dried under vacuum for 12 h.", + "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: Sc-doped ZIF was used as the precursor, and the material was annealed at 1100 \u00b0C.", + "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: 1.2 g of chitosan was first dispersed in 100 mL deionized water. After vigorous stirring for half an hour, 0.2 g TiCl3 was added to the mixed solution and stirring was continued for one hour. Subsequently, 0.6 g of LiCl was added to form a homogeneous solution with continuous stirring for six hours. The mixture was subjected to magnetic stirring for 12 hours, after which the suspension was centrifuged to obtain a solid precipitate. The precipitate was thoroughly washed with deionized water and ethanol, and dried at 60 \u00b0C overnight.\nSAC synthesis: Finally, the dried powder was used as the precursor to prepare Ti@Ti-N-C. The precursor was heated at 900 \u00b0C under Ar atmosphere for 2 hours, during which the conversion of precipitate to Ti@Ti-N-C was achieved.", + "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: 0.6 g melamine, 1.5 g L-Cysteine, and 15 mg copper chloride dihydrate were first grounded into a homogeneous precursor by ZrO2 mortar ball for 2 h. 10 mL mixed solution of ethanol and hydrochloric acid (volume ratio 5:1) was added. The slurry continued to be grinded until the ethanol evaporated. The mixture was dried in an oven at 80 \u00b0C and ball milled again for 20 min. SAC synthesis: The fine powder mixture was subjected to a two-stage pyrolysis and carbonization process at the N2 atmosphere (first stage: from 25\u00b0C to 550 \u00b0C, maintain at 550 \u00b0C for 2 h, then heated to 800 \u00b0C for 120 min). The heating rate of the whole process at a rate of 2 \u00b0C/min. After cooling down to room temperature, the product was leached at 80 \u00b0C in 0.5 M H2SO4 to remove the unstable species.", + "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: 200 mg of multi-walled carbon nanotubes (MCNTs) and 500 mg of melamine were added into 120 mL of a mixture solvent of ethanol and water with a volume ratio of 1:1 for sonicating 1 hour. 25 mg VCl3 was added into 3 mL of ethanol for sonicating 0.5 hour. 140 \u03bcL of the above solution was added dropwise to 120 mL of a mixture solvent of ethanol and water with a volume ratio of 1:1 under vigorous stirring. The obtained solution was irradiated in an ultrasonic bath for 6 hours. The obtained precipitate was centrifuged and washed with deionized water and ethanol for several times and dried in vacuum at 60 \u2103 for 12 hours.\nSAC synthesis: Finally, the precipitate was thermally treated at 900 \u2103 under Ar atmosphere for 2 hours to obtain VNC.", + "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: 0.5 g of cetyltrimethylammonium bromide (CTAB) was dissolved in 70 mL of a mixed solvent of water and methanol (1:1 by volume) in a thermostatic water bath at 30 \u00b0C. 5 mL of Co(CH3COO)2\u00b74H2O (0.3 M/L) aqueous solution was added to the above solution. After stirring for 30 min, a mixed solution containing 10 mL of 2-methylimidazole solution (1.2 M/L) and a certain amount of triethylamine (TEA) was added to the above solution and kept stirring for 4 h. The product was collected via centrifugation, washed with ethanol, and dried in a vacuum oven at 60 \u00b0C overnight.\nSAC synthesis: The mixture powder of ZnCo-ZIF-2.5 was heated to 900 \u00b0C in 3 h and then maintained at this temperature for 3 h under Ar atmosphere. The obtained sample was soaked in 1 M HCl aqueous solution for about 12 h at room temperature. The suspension was centrifuged and washed with deionized water several times. The final product was dried in a vacuum oven at 60 \u00b0C overnight.", + "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: 2.0 g of 2-methylimidazole and 200 mg phenanthroline (Phen) were dissolved in 40 mL methanol to form a clear solution at 60 \u2103 in a reflux system. 60 mg of iron nitrate nonahydrate (Fe(NO3)3\u00b79H2O) and 1.8 g zinc nitrate hexahydrate (Zn(NO3)2\u00b76H2O) were dissolved in 10 mL methanol to form a transparent solution. The two solutions were mixed and stirred for 24 h at room temperature. The precipitate was collected by centrifugation, washed with methanol several times, and dried overnight in an oven at 60 \u2103.\nSAC synthesis: Finally, the obtained powder was pyrolyzed at 950 \u2103 under Ar gas for 2 h, with a heating rate of 5 \u2103/min. The Fe loading is 0.75 wt%, and the Ph content is 0.75 wt%.", + "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: Medium temperature coal tar pitch (C 92.2 wt%, H 4.6 wt%, N 1.1 wt%, O 2.1 wt% (by difference)) was supplied by Maanshan Iron & Steel Co., Ltd. Nickel (II) Chloride Hexahydrate (NiCl2\u00b76H2O), urea, sodium chloride (NaCl), ethanol absolute, nitric acid, Nafion solution (5.0 wt%), Nafion\u00ae 117 membranes, and deionized water were obtained from Sinopharm Chemical Reagent Co., Ltd., Sigma-Aldrich, and Hefei Jingchun Water Sales Co., Ltd., respectively.\nSAC synthesis: Ni/Ni-N-C-800 sample was prepared by the same synthesis route as that for NiO/Ni-N-C-800, except without nitric acid leaching and oxidation.", + "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: 0.3 g of zinc nitrate hexahydrate was dissolved in 2 mL deionized water, and different amounts of chloroauric acid trihydrate were added to achieve Au/Zn molar ratios of 0.01 and 0.001. 5.67 g of 2-methylimidazole was prepared in 20 mL of deionized water. The two solutions were mixed together and stirred for 10 min. The obtained white precipitate was centrifuged at 20,000 rpm for 10 min and washed with methanol three times. The white precipitate was suspended with 5 mL deionized water and mixed with 1 mL 0.476 M sodium borohydride solution for 3 h with stirring. The light violet precipitate was centrifuged and washed with methanol two times. In the end, the collected slurry was dried in a lyophilizer for a day and stored in ambient atmosphere for further use.\nSAC synthesis: 0.01Au@NC(800 \u00b0C) and 0.01Au@NC(1000 \u00b0C) were prepared from Au@ZIF-8 with Au/Zn molar ratio of 0.01, which were later carbonized under an atmosphere of N2 at 800 and 1000 \u00b0C for 4 h, respectively, with the heating rate of 5 \u00b0C min-1. The carbonized product was stored for further test.", + "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: Kwak and co-workers impregnated \u03b3-Al2O3 with aqueous Pt(NO3)2 solutions, and then calcined at 573 K for 4 h.\nSAC synthesis: The results of ultrahigh magnetic field (10 mT) Al magic-angle spinning (MAS) measurements indicated that the Pt species in \u03b3-Al2O3/Pt catalysts were predominantly Pt(II), and the existence of Pt(III) was confirmed by XPS studies.", + "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: 1.736 g of Ce(NO3)3\u00b76H2O (6 mmol) was dissolved in 10 mL of deionized water and then added to a solution of 19.7 g of NaOH (120 mmol) in 50 mL of deionized water. The mixed solution was stirred at room temperature for 30 min and then transferred into a Teflon-lined autoclave and maintained at 100 \u00b0C for 24 h. The precipitate was separated by centrifugation with deionized water and ethanol, and finally dried at 60 \u00b0C overnight. Then, the CeO2 support was obtained after calcination in air at 500 \u00b0C for 2 h.\nSAC synthesis: 200 mg of CeO2 was dispersed in a solution of 28.4 mL of deionized water and 0.2 mL of Na2CO3 (pH = 10). After adding 1 mL of Na2PtCl4 solution (Pt: 2 mg/mL), the mixture was stirred at room temperature for 2 h. The precipitate was separated by centrifugation with deionized water and ethanol, and finally dried at 60 \u00b0C overnight. Then, the Pt/CeO2-S catalyst was obtained after calcination in air at 500 \u00b0C for 2 h.", + "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: 0.326 g of Ce(NO3)3\u00b76H2O, 0.75 mL of anhydrous ethanol and 15 mL of deionized water were stirred for 10 min at 25 \u00b0C to form solution A. 0.546 g of hexamine, 0.60 mL of anhydrous ethanol and 15 mL of deionized water were stirred for 10 min at 25 \u00b0C to form solution B. Solution A was added to solution B and stirred for 2 h at 25 \u2103. The precipitate was centrifuged and washed with deionized water until the supernatant became neutral. The precipitates were dried overnight in a vacuum oven at 80 \u00b0C. Finally, CeO2 nanorods were obtained by calcining the precipitates at 500 \u00b0C for 2 h in air.\nSAC synthesis: 0.15 g of CeO2 nanorods were dispersed in 10 mL of deionized water under ultrasonication. Several drops of a 0.1M NaOH solution were used to adjust the pH value of the solution to 8-8.5. 0.075 M HAuCl4 solution was added to the suspension of CeO2 nanorods and stirred for 1 h. 0.125 M NaBH4 solution (0.9 mL) was added dropwise to the above mixture and stirred for 2 h. After the addition of 10 mL of deionized water, the mixture was sonicated for 30 min, and the particles were re-dispersed in 10 mL of deionized water. 0.25 M NaOH solution was added to adjust the pH value of the solution to 8-8.5. 0.05 M Pd(NO3)2 solution was added to the suspension of CeO2-Pd nanorods and stirred for 2 h. 0.125 M NaBH4 solution (3 mL) was added dropwise to the above mixture and stirred for 2 h. After the addition of 10 mL of deionized water, the mixture was sonicated for 30 min.", + "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: None required.\nSAC synthesis: The same method as PtGa-Ca/SiO2, but with the addition of Pb(NO3)2. The atomic ratio was Pt:Ga:Ca:Pb = 1:1:5:0.55.", + "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: 1.5 mL of hydrofluoric acid and 12.5 mL of Titanium (IV) butoxide were mixed and stirred for 30 min. A hydrothermal reaction was carried out at 200 \u00baC for 24 h in a 50 mL Teflon autoclave. The precipitants were collected and washed with distilled water and ethanol. The powders were soaked in 0.1 M NaOH solution for 12 h to remove residual fluorine ions and realize Na+ modification. After another washing procedure, the dried white-colored powders were annealed at 400 \u00baC for 2 h in a muffle furnace to obtain 001-TiO2 with surface sodium ions.\nSAC synthesis: H2AuCl4\u00b74H2O (0.078 mM), H2PtCl6\u00b76H2O (0.078 mM), K2CO3 (0.5 M) solutions were prepared. 001-faceted TiO2 powders (10 mg) were suspended into deionized water (50 mL). The mixture was stirred for 1 h then centrifuged to collect the products. The as-prepared Au/Pt-modified TiO2 was placed in a tube furnace and annealed at 450 \u2103 for 2 h under air condition.", + "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: H2PtCl6\u00b76H2O (0.1 g mL-1)\nSAC synthesis: The same procedure was used for synthesis of Pt1/MWNT by using 2 \u03bcL H2PtCl6\u00b76H2O (0.1 g mL-1) instead of 10 \u03bcL H2SO4.", + "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 MCM-41 support was prepared according to a previously reported method. [23] In detail, 0.6 g of SiO2 (Sigma Aldrich, Sigma No. 85789) with a particle size of about 22 nm was added into a solution of HCl (Alfa Aesar, 12 M) and HNO3 (Baker, 70%) at a volume ratio of 2:1 under vigorous stirring. Afterwards, the obtained solution was heated from room temperature to 120 \u00b0C for 1 h, followed by cooling down to room temperature. Next, the precipitate was filtered and washed several times with distilled water until the pH reached 7. Finally, the obtained slurry was dried overnight at 100 \u00b0C in an oven. The MCM-41 powder was then calcined at 550 \u00b0C for 6 h under N2 atmosphere before use.\nSAC synthesis: Pt/Na[Si]MCM41 catalysts were prepared by co-impregnation of pure MCM-41 support with aqueous solutions of chloroplatinic acid (H2PtCl6, 8 wt.% Pt, Alfa Aesar). The Pt loadings were targeted to be 1.0 \u00b1 0.2 Pt/Sn-wt% with respect to MCM-41 support. Briefly, 1 g of MCM-41 support was mixed with 4.5 mL of deionized water. Then, 100 \u03bcL of H2PtCl6 solution (2 mgPt mL -1 ) was added into the above mixture and stirred at room temperature for 1 h. Subsequently, the solution was dried in air at 120 \u00b0C for 12 h. Finally, the dried sample was reduced in 10 vol.% H2/N2 stream at 200 \u00b0C for 2 h.", + "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: 10 mL of tetrabutyl titanate and 1.5 mL of hydrofluoric acid solution (47%) were mixed under stirring in a dried Telfon-lined autoclave (25 ml) and heated at 200 \u00b0C with stirring for 24 h. After cooling, the white precipitates were separated by high-speed centrifugation and washed with ethanol and distilled water several times. Finally, the powder was dispersed in 0.1 M NaOH aqueous solution and stirred for 8 h at room temperature. The power was recovered by high speed centrifugation, washed with distilled water and ethanol several times and finally dried at vacuum oven for 12 h.\nSAC synthesis: Pt/Na-TiO2 was prepared according to the previous reference. [2] Firstly, the Na-TiO2 was dispersed into deionized water (80 mL). Then, the H2PtCl6 solution (1.5 mM) was added dropwise into the Na-TiO2 dispersion under vigorous stirring at room temperature until the Pt content reached 0.3 wt%. The power was recovered by high speed centrifugation, washed with distilled water and ethanol several times and finally dried at vacuum oven for 12 h.", + "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: 0.3 g of zinc nitrate hexahydrate was dissolved in 25 ml of methanol. 0.6 g of 2-mercapto-1-methylimidazole was added to the above solution and stirred for 12 h at room temperature. The obtained ZIF-8 precipitates were centrifuged, washed with methanol several times, and dried at 60 \u00b0C overnight. 0.2 g of as-prepared ZIF-8 powder was dispersed in 25 ml of methanol. 0.072 g of cobalt nitrate hexahydrate was added to this solution and stirred for 12 h at room temperature. The obtained Co/ZIF-8 precipitates were centrifuged, washed with methanol several times, and dried at 60 \u00b0C overnight. SAC synthesis: 0.2 g of Co/ZIF-8 powder was dispersed in 25 ml of methanol. 0.05 g of chloroauric acid trihydrate was added to this solution and stirred for 12 h at room temperature. The obtained Au/Co/ZIF-8 precipitates were centrifuged, washed with methanol several times, and dried at 60 \u00b0C overnight. 0.2 g of Au/Co/ZIF-8 powder was dispersed in 25 ml of methanol. 0.2 g of polyvinylpyrrolidone (PVP) K30 was added to this solution and stirred for 12 h at room temperature. The obtained Au/Co/ZIF-8@PVP precipitates were centrifuged, washed with methanol several times, and dried at 60 \u00b0C overnight. 0.2 g of Au/Co/ZIF-8@PVP powder was dispersed in 25 ml of methanol. 0.2 g of polyacrylonitrile (PAN) was added to this solution and stirred for 12 h at room temperature. The obtained Au/Co/ZIF-8@PVP@PAN precipitates were centrifuged, washed with methanol several times, and dried at 60 \u00b0C overnight. 0.2 g of Au/Co/ZIF-8@PVP@PAN@NSC was added to 25 ml of methanol. 0.2 g of NSC was added to this solution and stirred for 12 h at room temperature. The obtained Au/Co/ZIF-8@PVP@PAN@NSC precipitates were centrifuged, washed with methanol several times, and dried at 60 \u00b0C 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: 20 mg of KLTL was dispersed in 30 mL of H2O under ultrasonication for 10 min. 256 \u03bcL (10 mM) of HAuCl4\u00b74H2O and 100 \u03bcL (10 mM) of NaBH4 were added to the suspension, and the suspension was stirred at room temperature for 2 h. The product was filtered, washed with ethanol three times, and dried in vacuum at 60 \u00b0C for 12 h.\nSAC synthesis: The Au/KLTL-30 sample was prepared by electrolyzing the KLTL-30 powder at a current density of 0.01 A cm^-2 for 30 s in an N2-saturated 0.5 M H2SO4 solution.", + "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