NNP_Cu_O
Collection home page
Share - copy and redistribute the material in any medium or format. Adapt - remix, transform, and build upon the material for any purpose, even commercially. The licensor cannot revoke these freedoms as long as you follow the license terms.
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): 21 to 40 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/Cu2O/NEB/exchange1 step4 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu2O/NEB/exchange1 step5 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu2O/NEB/exchange2 combine | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu2O/NEB/exchange2 step1 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu2O/NEB/exchange2 step2 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu2O/NEB/exchange2 step3 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu2O/NEB/exchange2 step4 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu2O/NEB/exchange3 combine | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu2O/NEB/exchange3 step1 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu2O/NEB/exchange3 step2 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu2O/NEB/vacancy1 combine | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu2O/NEB/vacancy1 step1 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu2O/NEB/vacancy1 step2 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu2O/NEB/vacancy2 combine | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu2O/NEB/vacancy2 step1 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu2O/NEB/vacancy2 step2 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu2O/NEB/vacancy3 combine | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu2O/NEB/vacancy3 step1 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu2O/NEB/vacancy3 step2 | Lian, Zan | LAMMPS; 29 Sep 2021 | Molecular Dynamics | - | - | - | | | |
 | 8-Nov-2023 | /NNP_application/Odiffusion/Cu2O 1200K_1500ns | Lian, Zan | LAMMPS; 29 Sep 2021 - Update 3 | Molecular Dynamics | - | - | - | | | |
Collection's Items (Sorted by Submit Date in Descending order): 21 to 40 of 6322
