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Manuscript title: Revealing the CO Coverage-Driven C−C Coupling Mechanism for Electrochemical CO₂ Reduction on Cu₂O Nanocubes via Operando Raman Spectroscopy
Journal: ACS Catal.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Dattila, Federico | - |
| dc.date.accessioned | 2021-03-12T19:01:36Z | - |
| dc.date.available | 2021-05-28T16:53:39Z | - |
| dc.date.created | 2021-03-12T20:01:34.823+01:00 | - |
| dc.date.issued | 2021-03-12T20:01:34.823+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/29132 | - |
| dc.description | DFT single point energy for component CO(2) of COtCOb at the transition state geometry. | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Revealing the CO Coverage-Driven C−C Coupling Mechanism for Electrochemical CO₂ Reduction on Cu₂O Nanocubes via Operando Raman Spectroscopy DOI: 10.1021/acscatal.1c01478 Journal: ACS Catal. | * |
| dc.relation.uri | http://dx.doi.org/10.1021/acscatal.1c01478 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2021 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Electric field | - |
| dc.subject | Heterogeneous catalysis | - |
| dc.subject | C₂₊ products | - |
| dc.subject | Copper | - |
| dc.subject | Nudged Elastic Band | - |
| dc.subject | Electrochemical CO₂ reduction | - |
| dc.subject | Raman spectroscopy | - |
| dc.subject | C-C coupling | - |
| dc.subject | Vibrational spectroscopy | - |
| dc.subject | Hubbard | - |
| dc.title | /C-C-coupling Cu(100)-3sqrt2x3sqrt2-COtCOb-1-CO(2) | - |
| dc.type | dataset | - |
| dc.date.updated | 2021-03-12T19:01:36Z | - |
| 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 | -335.34168654 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | CCu90O | 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: | CO-coverage - DOI: 10.19061/iochem-bd-1-192 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/29132
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