ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Stability and lifetime of diffusion-trapped oxygen in oxide-derived copper CO2 reduction electrocatalysts
Journal: Nature Catalysis
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Lian, Zan | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2023-03-22T09:34:50Z | - |
| dc.date.available | 2024-04-01T11:51:20Z | - |
| dc.date.created | 2023-03-22T10:34:47.984+01:00 | - |
| dc.date.issued | 2023-03-22T10:34:47.984+01:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/281764 | - |
| dc.description | POSCAR-7.5 | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Stability and lifetime of diffusion-trapped oxygen in oxide-derived copper CO2 reduction electrocatalysts DOI: 10.1038/s41929-024-01132-5 Journal: Nature Catalysis | * |
| dc.relation.uri | http://dx.doi.org/10.1038/s41929-024-01132-5 | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | /ini_data_source/CuxO/surface/22/110 POSCAR_7_5 | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-03-22T09:34:49Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.4 | en |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Closed shell | en |
| cml.energy.value | -269.63526342 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | Cu48O17 | en |
| cml.calculationtype | Geometry optimization | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | NNP_Cu_O - DOI: 10.19061/iochem-bd-6-228 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/281764
Item files in Browse 
HTML5 resume (see conditions inside)