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Manuscript title: Phases and Architectures in Metal/Metal Oxide Systems Driven by Strong Metal–Support Interactions
Journal: ACS Phys. Chem. Au
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Morales-Vidal, Jordi | |
| dc.date.accessioned | 2026-02-02T08:48:12Z | - |
| dc.date.available | 2026-02-02T08:51:43Z | - |
| dc.date.created | 2026-02-02T09:47:32.801627+01:00 | |
| dc.date.issued | 2026-02-02T09:47:32.801627+01:00 | |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/113452 | - |
| dc.description.abstract | CeO₂-Ni with 2 oxygen vacancy | |
| dc.description.sponsorship | Institute of Chemical Research of Catalonia | |
| dc.publisher | Institute of Chemical Research of Catalonia | |
| dc.relation | Original title: Phases and Architectures in Metal/Metal Oxide Systems Driven by Strong Metal–Support Interactions DOI: 10.1021/acsphyschemau.5c00138 Journal: ACS Phys. Chem. Au | * |
| dc.relation.uri | http://dx.doi.org/10.1021/acsphyschemau.5c00138 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2026 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | /Interfaces-MLIP/DFT-single-points/CeO₂-M/CeO₂-Ni CeO₂-Ni-2vac | |
| dc.type | dataset | |
| cml.program.name | vasp | |
| cml.program.version | 5.4.4 | |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build Apr 26 2024 11:19:37) complex | |
| cml.method | DFT | |
| cml.shelltype | Open shell | |
| cml.energy.value | -718.67709261 | |
| cml.energy.units | eV | |
| cml.formula.generic | Ce9Ni100O16 | |
| cml.calculationtype | Single point | |
| cml.hassolvent | false | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | SMSI - DOI: 10.19061/iochem-bd-1-325 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/113452
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