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Manuscript title: Systematic Characterization of Electronic Metal−Support Interactions in Ceria-Supported Pt Particles
Journal: J. Phys. Chem. C
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Bruix, Albert | - |
| dc.coverage.spatial | ES Barcelona | - |
| dc.date.accessioned | 2023-10-23T19:02:58Z | - |
| dc.date.available | 2023-10-23T19:02:58Z | - |
| dc.date.created | 2023-10-23T21:02:55.174+02:00 | - |
| dc.date.issued | 2023-10-23T21:02:55.174+02:00 | - |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/312228 | - |
| dc.description | h_pt8, scnd_layer_site, 1_te | - |
| dc.publisher | Universitat de Barcelona | - |
| dc.publisher | Institució Catalana de Recerca i Estudis Avançats | - |
| dc.relation | Original title: Systematic Characterization of Electronic Metal−Support Interactions in Ceria-Supported Pt Particles DOI: 10.1021/acs.jpcc.3c03383 Journal: J. Phys. Chem. C | - |
| dc.relation.uri | http://dx.doi.org/10.1021/acs.jpcc.3c03383 | - |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2023 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | reducible oxides | - |
| dc.subject | Pt | - |
| dc.subject | electronic metal-support interactions | - |
| dc.subject | metal-support interactions | - |
| dc.subject | electron transfer | - |
| dc.subject | nanostructured catalysts | - |
| dc.subject | CeO2 | - |
| dc.subject | ceria | - |
| dc.subject | polarons | - |
| dc.subject | CO | - |
| dc.subject | DFT | - |
| dc.subject | H2O | - |
| dc.title | h_pt8,_scnd_layer_site,_1_te | - |
| dc.type | dataset | - |
| dc.date.updated | 2023-10-23T19:02:57Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.1 | en |
| cml.program.other | 24Jun15 (build Sep 21 2021 10:26:14) gamma-only | en |
| cml.method | DFT | en |
| cml.shelltype | Closed shell | en |
| cml.energy.value | -704.70157925 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | HCe27O54Pt8 | 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: | EMSI_Pt8_CeO2_111 - DOI: 10.19061/iochem-bd-6-271 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/312228
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