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): 541 to 560 of 6322
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
 | 7-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/43 16ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/43 1ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/43 20ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Sep-2023 | /NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/1000 1 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Sep-2023 | /NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/1000 10 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Sep-2023 | /NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/1000 2 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Sep-2023 | /NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/1000 3 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Sep-2023 | /NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/1000 4 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Sep-2023 | /NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/1000 5 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Sep-2023 | /NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/1000 6 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Sep-2023 | /NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/1000 7 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Sep-2023 | /NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/1000 8 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Sep-2023 | /NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/1000 9 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Sep-2023 | /NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/1100 1 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Sep-2023 | /NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/1100 10 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Sep-2023 | /NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/1100 2 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Sep-2023 | /NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/1100 3 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Sep-2023 | /NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/1100 4 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Sep-2023 | /NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/1100 5 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 7-Sep-2023 | /NNP_application/Odiffusion/Cu_shell/700_1100K_10samplings/1100 6 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
Collection's Items (Sorted by Submit Date in Descending order): 541 to 560 of 6322
