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): 81 to 100 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/Cu_shell/remove_different_layers/8layers 7 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/remove_different_layers/8layers 8 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/remove_different_layers/8layers 9 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/NEB/1oxygen step1 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/NEB/1oxygen step2 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/NEB/1oxygen step3 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/NEB/2oxygen step1 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/NEB/2oxygen step2 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/NEB/3oxygen step1 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/NEB/3oxygen step2 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/NEB/3oxygen step3 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/NEB/4oxygen step1 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/NEB/4oxygen step2 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu_shell/NEB/4oxygen step3 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 7-Nov-2023 | /NNP_application/annealing_convergence_test/annealing_rate/03 16ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Nov-2023 | /NNP_application/annealing_convergence_test/annealing_rate/08 0_01ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Nov-2023 | /NNP_application/annealing_convergence_test/annealing_rate/08 0_1ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Nov-2023 | /NNP_application/annealing_convergence_test/annealing_rate/08 0_5ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Nov-2023 | /NNP_application/annealing_convergence_test/annealing_rate/13 0_01ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Nov-2023 | /NNP_application/annealing_convergence_test/annealing_rate/13 0_1ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
Collection's Items (Sorted by Submit Date in Descending order): 81 to 100 of 6322
