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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
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Collection's Items (Sorted by Submit Date in Descending order): 2561 to 2580 of 6322
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Sep-2023 | /NNP_application/reduction_10samplings/dot046/random9 48 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 1-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/48 1ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 1-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/48 20ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 1-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/48 2ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 1-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/48 4ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 1-Sep-2023 | /NNP_application/annealing_convergence_test/annealing_rate/48 8ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 28-Mar-2023 | /NNP_application/Odes/slab equilibrium | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 27-Mar-2023 | /NNP_application/Odiffusion/Cu2O 1400K | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 27-Mar-2023 | /NNP_application/Odiffusion/Cu2O 1500K | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 24-Mar-2023 | /NNP_application/Odiffusion/Cu2O 1600K | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 24-Mar-2023 | /NNP_application/Odiffusion/Cu2O 1700K | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 24-Mar-2023 | /NNP_application/Odiffusion/Cu2O 1800K | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 24-Mar-2023 | /NNP_application/Odiffusion/Cu_shell 600K_300ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 24-Mar-2023 | /NNP_application/Odiffusion/Cu_shell 700K_300ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 24-Mar-2023 | /NNP_application/Odiffusion/Cu_shell 800K_300ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 23-Mar-2023 | /NNP_application/Odes/slab Eslab | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 23-Mar-2023 | /NNP_application/Odes 0 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 23-Mar-2023 | /NNP_application/Odes 1 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 23-Mar-2023 | /NNP_application/Odes 10 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | |||
 | 23-Mar-2023 | /NNP_application/Odes 100 | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - |
Collection's Items (Sorted by Submit Date in Descending order): 2561 to 2580 of 6322
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