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): 421 to 440 of 6322
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
 | 14-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/23 8ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 14-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/28 0_01ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 14-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/28 0_1ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 14-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/28 0_5ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 14-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/28 10ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 14-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/28 16ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 14-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/28 1ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 14-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/28 20ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 13-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/700 13 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 13-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/700 14 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 13-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/700 15 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 13-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/700 16 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 13-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/700 17 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 13-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/700 18 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 13-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/700 19 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 13-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/700 20 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 13-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/700 21 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 13-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/700 22 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 13-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/700 23 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 13-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_temperature/700 24 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
Collection's Items (Sorted by Submit Date in Descending order): 421 to 440 of 6322
