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Manuscript title: Absence of CO₂ electroreduction on copper, gold and silver electrodes without metal cations in solution
Journal: Nature Catalysis
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Dattila, Federico | - |
| dc.date.accessioned | 2021-02-16T22:50:51Z | - |
| dc.date.available | 2021-07-10T14:35:55Z | - |
| dc.date.created | 2021-02-16T23:50:50.245+01:00 | - |
| dc.date.issued | 2021-02-16T23:50:50.245+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/28090 | - |
| dc.description | Ab initio molecular dynamics simulation for the system au-H2O-K-CO2, where au is 3sqrt3 x 3sqrt3 Au(111); from 0 to 1000 fs. | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Absence of CO₂ electroreduction on copper, gold and silver electrodes without metal cations in solution DOI: 10.1038/s41929-021-00655-5 Journal: Nature Catalysis | * |
| dc.relation.uri | http://dx.doi.org/10.1038/s41929-021-00655-5 | * |
| 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 | Explicit solvation | - |
| dc.subject | Cation | - |
| dc.subject | Gold | - |
| dc.subject | Ab initio molecular dynamics | - |
| dc.subject | Water molecules | - |
| dc.subject | Ab initio calculations | - |
| dc.subject | Electrochemical CO₂ reduction | - |
| dc.title | /AIMD AIMD-au-H2O-K-CO2-0-1000-fs | - |
| dc.type | dataset | - |
| dc.date.updated | 2021-02-16T22:50:51Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.4.4 | en |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only | en |
| cml.method | DFT | en |
| cml.shelltype | Closed shell | en |
| cml.energy.value | -1424.00998342 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | CH143Au108O74K | en |
| cml.calculationtype | Ab-Initio Molecular Dynamics | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Cation-effect-CO2-reduction - DOI: 10.19061/iochem-bd-1-194 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/28090
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