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Manuscript title: Origin of the Selective Electroreduction of Carbon Dioxide to Formate by Chalcogen Modified Copper
Journal: J. Phys. Chem. Lett.
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | García Muelas, Rodrigo | - |
| dc.date.accessioned | 2018-08-03T13:11:46Z | - |
| dc.date.available | 2018-12-12T10:25:32Z | - |
| dc.date.created | 2018-08-03T15:11:45.426+02:00 | - |
| dc.date.issued | 2018-08-03T15:11:45.426+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/12473 | - |
| dc.description | Clean Cu(100)-Se | - |
| dc.publisher | ETH Zurich | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Origin of the Selective Electroreduction of Carbon Dioxide to Formate by Chalcogen Modified Copper DOI: 10.1021/acs.jpclett.8b03212 Journal: J. Phys. Chem. Lett. | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-92 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Electrochemistry | - |
| dc.subject | Formic acid | - |
| dc.subject | Copper | - |
| dc.subject | Reduction | - |
| dc.subject | Carbon dioxide | - |
| dc.subject | Formate | - |
| dc.subject | Heterogeneous catalysis | - |
| dc.subject | Selectivity switch | - |
| dc.subject | Chalcogens | - |
| dc.subject | Carbon monoxide | - |
| dc.title | Cu(100)-Se-Clean | - |
| dc.type | dataset | - |
| dc.date.updated | 2018-08-03T13:11:46Z | - |
| 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 | -326.10688910 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | Cu90Se | 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 - DOI: 10.19061/iochem-bd-1-92 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/12473
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