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): 401 to 420 of 6322
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
 | 6-Nov-2023 | /NNP_application/annealing_convergence_test/time_at_high_temperature/2ns 13 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 6-Nov-2023 | /NNP_application/annealing_convergence_test/time_at_high_temperature/2ns 18 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 6-Nov-2023 | /NNP_application/annealing_convergence_test/time_at_high_temperature/2ns 23 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 6-Nov-2023 | /NNP_application/annealing_convergence_test/time_at_high_temperature/2ns 28 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 6-Nov-2023 | /NNP_application/annealing_convergence_test/time_at_high_temperature/2ns 33 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 6-Nov-2023 | /NNP_application/annealing_convergence_test/time_at_high_temperature/2ns 38 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 6-Nov-2023 | /NNP_application/annealing_convergence_test/time_at_high_temperature/2ns 43 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 6-Nov-2023 | /NNP_application/annealing_convergence_test/time_at_high_temperature/2ns 48 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 6-Nov-2023 | /NNP_application/annealing_convergence_test/time_at_high_temperature/1ns 03 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 6-Nov-2023 | /NNP_application/annealing_convergence_test/time_at_high_temperature/1ns 08 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 6-Nov-2023 | /NNP_application/annealing_convergence_test/time_at_high_temperature/1ns 13 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 6-Nov-2023 | /NNP_application/annealing_convergence_test/time_at_high_temperature/1ns 18 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 6-Nov-2023 | /NNP_application/annealing_convergence_test/time_at_high_temperature/1ns 23 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 6-Nov-2023 | /NNP_application/annealing_convergence_test/time_at_high_temperature/1ns 28 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 6-Nov-2023 | /NNP_application/annealing_convergence_test/time_at_high_temperature/1ns 33 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 6-Nov-2023 | /NNP_application/annealing_convergence_test/time_at_high_temperature/1ns 38 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 6-Nov-2023 | /NNP_application/annealing_convergence_test/time_at_high_temperature/1ns 43 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 6-Nov-2023 | /NNP_application/annealing_convergence_test/time_at_high_temperature/1ns 48 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 14-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/23 2ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
 | 14-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/23 4ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
Collection's Items (Sorted by Submit Date in Descending order): 401 to 420 of 6322
