NNP_Cu_O
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Please use this identifier to cite or link to this collection:
DOI: 10.19061/iochem-bd-6-228
This dataset derived results are published in:
Manuscript title: Stability and lifetime of diffusion-trapped oxygen in oxide-derived copper CO2 reduction electrocatalysts
Journal: Nature Catalysis
DOI: 10.1038/s41929-024-01132-5
Collection's Items (Sorted by Submit Date in Descending order): 501 to 520 of 6322
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
 | 12-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/900 36 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 12-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/900 37 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 12-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/900 38 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 12-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/900 39 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 12-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/900 40 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 12-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/900 41 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 12-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/900 42 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 12-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/900 43 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 12-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/900 44 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 12-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/900 45 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 12-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/900 46 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 12-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/900 47 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 12-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/900 48 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/28 2ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/28 4ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/28 8ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/33 0_01ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/33 0_1ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/33 0_5ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/33 10ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
Collection's Items (Sorted by Submit Date in Descending order): 501 to 520 of 6322
