Flame Spray Pyrolysis as a Synthesis Platform to Assess Metal Promotion in In₂O₃-Catalyzed CO₂ Hydrogenation
Dataset associated to: Flame Spray Pyrolysis as a Synthesis Platform to Assess Metal Promotion in In₂O₃-Catalyzed CO₂ Hydrogenation
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Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-1-219
Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-1-219
This dataset derived results are published in:
Manuscript title: Flame Spray Pyrolysis as a Synthesis Platform to Assess Metal Promotion in In₂O₃-Catalyzed CO₂ Hydrogenation
Preview | Title | Author(s) | Program | Method(s) | Basis Set | Energy | Solv. | Vibr. |
---|---|---|---|---|---|---|---|---|
/Profiles/In2O3-clean In₂O₃-i02b | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | DFT | - | -1102.14760632; eV | |||
/Profiles/In2O3-clean In₂O₃-r0102 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Feb 19 2018 15:56:53) complex | DFT | - | -1100.43725396; eV | |||
/Profiles/In2O3-clean In₂O₃-r0102b | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Feb 19 2018 15:56:53) complex | DFT | - | -1101.15644830; eV | |||
/Profiles/In2O3-clean In₂O₃-r0203 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | DFT | - | -1102.90934024; eV | |||
/Profiles/In2O3-clean In₂O₃-r02b03 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Feb 19 2018 15:56:53) complex | DFT | - | -1101.02736123; eV | |||
/Profiles/Pd-In2O3 Pd-In₂O₃-r0203 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Feb 19 2018 15:56:53) complex | DFT | - | -1105.38336454; eV | |||
/Profiles/Pd-In2O3 Pd-In₂O₃-r0709 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Feb 19 2018 15:56:53) complex | DFT | - | -1099.27245574; eV | |||
/Profiles/Pt-In2O3 Pt-In₂O₃-r0203 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Feb 19 2018 15:56:53) complex | DFT | - | -1106.38098581; eV | |||
/Profiles/Pt-In2O3 Pt-In₂O₃-r0709 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Feb 19 2018 15:56:53) complex | DFT | - | -1100.24051825; eV | |||
/Profiles/Pt-In2O3 Pt-In₂O₃-r0102 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Feb 19 2018 15:56:53) complex | DFT | - | -1105.54487097; eV | |||
/Profiles/Rh-In2O3 Rh-In₂O₃-r0102 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Feb 19 2018 15:56:53) complex | DFT | - | -1106.49293655; eV | |||
/Profiles/Rh-In2O3 Rh-In₂O₃-r0203 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Feb 19 2018 15:56:53) complex | DFT | - | -1106.95331110; eV | |||
/Profiles/Rh-In2O3 Rh-In₂O₃-r0709 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Feb 19 2018 15:56:53) complex | DFT | - | -1100.23364909; eV | |||
/Profiles/Ru-In2O3 Ru-In₂O₃-i20 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Jul 31 2017 15:54:50) complex | DFT | - | -1124.76098528; eV | |||
/Profiles/Ru-In2O3 Ru-In₂O₃-r0102 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Feb 19 2018 15:56:53) complex | DFT | - | -1107.80891363; eV | |||
/Profiles/Ru-In2O3 Ru-In₂O₃-r0203 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Feb 19 2018 15:56:53) complex | DFT | - | -1108.03707780; eV | |||
/Profiles/Ru-In2O3 Ru-In₂O₃-r0709 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Feb 19 2018 15:56:53) complex | DFT | - | -1100.25922600; eV | |||
/Profiles/Ir-In2O3 Ir-In₂O₃-r0102 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Feb 19 2018 15:56:53) complex | DFT | - | -1107.06967681; eV | |||
/Profiles/Ir-In2O3 Ir-In₂O₃-r0203 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Feb 19 2018 15:56:53) complex | DFT | - | -1107.94371857; eV | |||
/Profiles/Ir-In2O3 Ir-In₂O₃-r0709 | Morales-Vidal, Jordi | vasp; 5.4.1; 05Feb16 (build Feb 19 2018 15:56:53) complex | DFT | - | -1100.90633137; eV |
Collection's Items (Sorted by in order): 1 to 20 of 737
Discover
Method
- 737 DFT
Stoichiometry
- 27 AuIn80O120
- 27 CoIn80O120
- 27 In80IrO120
- 27 In80NiO120
- 27 In80O120Ag
- 27 In80O120Pd
- 27 In80O120Pt
- 27 In80O120Rh
- 27 In80O120Ru
- 12 AuIn79O120
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Program name
- 737 vasp
Calculation type
Institution