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Manuscript title: Active and Selective Ensembles in Oxide-Derived Copper Catalysts for CO2 Reduction
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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Dattila, Federico | - |
| dc.date.accessioned | 2020-04-20T14:56:25Z | - |
| dc.date.available | 2020-09-16T13:23:04Z | - |
| dc.date.created | 2020-04-20T16:56:24.115+02:00 | - |
| dc.date.issued | 2020-04-20T16:56:24.115+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/23798 | - |
| dc.description | Bulk Cu with 11 valence electrons. | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Active and Selective Ensembles in Oxide-Derived Copper Catalysts for CO2 Reduction DOI: 10.1021/acsenergylett.0c01777 | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-165 | - |
| dc.relation.uri | http://dx.doi.org/10.1021/acsenergylett.0c01777 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2020 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Heterogeneous catalysis | - |
| dc.subject | Hubbard | - |
| dc.subject | Bader analysis | - |
| dc.subject | Suboxide | - |
| dc.subject | Roughness | - |
| dc.subject | Ensembles | - |
| dc.subject | Surface reconstruction | - |
| dc.subject | XPS | - |
| dc.subject | Ab initio molecular dynamics | - |
| dc.subject | Copper | - |
| dc.subject | CO₂ reduction | - |
| dc.subject | C₂ products | - |
| dc.subject | Raman | - |
| dc.subject | Electrochemistry | - |
| dc.subject | Cu₂O | - |
| dc.title | cu-11e | - |
| dc.type | dataset | - |
| dc.date.updated | 2020-04-20T14:56:25Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.4 | en |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex | en |
| cml.method | DFT | en |
| cml.shelltype | Closed shell | en |
| cml.energy.value | -27.20202715 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | Cu4O2 | 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: | redCO2_OD-Cu - DOI: 10.19061/iochem-bd-1-165 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/23798
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