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): 41 to 60 of 6322
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu2O 1250K_600ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu2O 1300K_600ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu2O 1350K_100ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/remove_different_layers/10layers 1 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/remove_different_layers/10layers 10 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/remove_different_layers/10layers 2 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/remove_different_layers/10layers 3 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/remove_different_layers/10layers 4 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/remove_different_layers/10layers 5 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/remove_different_layers/10layers 6 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/remove_different_layers/10layers 7 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/remove_different_layers/10layers 8 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/remove_different_layers/10layers 9 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/remove_different_layers/12layers 1 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/remove_different_layers/12layers 10 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/remove_different_layers/12layers 2 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/remove_different_layers/12layers 3 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/remove_different_layers/12layers 4 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/remove_different_layers/12layers 5 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/remove_different_layers/12layers 6 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
Collection's Items (Sorted by Submit Date in Descending order): 41 to 60 of 6322
