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Manuscript title: Kinetic and computational studies of CO oxidation and PROX on Cu/CeO2 nanospheres
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Tangpakonsab, Parinya | - |
dc.coverage.spatial | ES Barcelona | - |
dc.date.accessioned | 2023-04-04T09:05:19Z | - |
dc.date.available | 2023-04-04T09:05:19Z | - |
dc.date.created | 2023-04-04T11:05:14.391+02:00 | - |
dc.date.issued | 2023-04-04T11:05:14.391+02:00 | - |
dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/286250 | - |
dc.description | CO adsorption on Cu0 site | - |
dc.publisher | Institute of Materials Chemistry, TU Wien | - |
dc.relation | Original title: Kinetic and computational studies of CO oxidation and PROX on Cu/CeO2 nanospheres | - |
dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-6-230 | - |
dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2023 | - |
dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
dc.title | /CO_ads CO_ads_on_Cu0 | - |
dc.type | dataset | - |
dc.date.updated | 2023-04-04T09:05:19Z | - |
cml.program.name | vasp | en |
cml.program.version | 6.2.1 | en |
cml.program.other | 16May21 (build Jun 29 2022 11:52:38) complex | en |
cml.method | DFT | en |
cml.shelltype | Open shell | en |
cml.energy.value | -301.85255154 | en |
cml.energy.units | eV | en |
cml.formula.generic | CCu40O36 | en |
cml.calculationtype | N/A | en |
cml.hassolvent | false | en |
cml.hasvibrationalfrequencies | false | en |
cml.numberofjobs | 1 | en |
cml.hasmolecularorbitals | false | en |
Appears in Collections: | CuO - DOI: 10.19061/iochem-bd-6-230 |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/286250