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Manuscript title: The Potential of Cations for Carbon Dioxide Electroreduction
Journal: ChemCatChem
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| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Dattila, Federico | - |
| dc.date.accessioned | 2025-04-24T19:58:33Z | - |
| dc.date.available | 2025-09-22T15:37:15Z | - |
| dc.date.created | 2025-04-24T21:58:31.520795+02:00 | - |
| dc.date.issued | 2025-04-24T21:58:31.520795+02:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/97275 | - |
| dc.description | DFT Energy: COOH adsorption on Rh(111)(3x3). | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.publisher | Politecnico di Torino | - |
| dc.relation | Original title: The Potential of Cations for Carbon Dioxide Electroreduction DOI: 10.1002/cctc.202500749 Journal: ChemCatChem | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-379 | - |
| dc.relation.uri | http://dx.doi.org/10.1002/cctc.202500749 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2025 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.subject | Trivalent cation | - |
| dc.subject | Surface dissolution | - |
| dc.subject | Electrochemical H₂O reduction | - |
| dc.subject | Electrochemical CO₂ reduction | - |
| dc.subject | Bivalent cation | - |
| dc.subject | Ab initio molecular dynamics | - |
| dc.subject | Hydrogen evolution | - |
| dc.subject | Cathodic corrosion | - |
| dc.subject | Alkali cation | - |
| dc.subject | Ab initio calculations | - |
| dc.subject | Electric potential | - |
| dc.title | /redCO2 Rh(111)-(3x3)-COOH | - |
| dc.type | dataset | - |
| dc.date.updated | 2025-04-24T19:58:33Z | - |
| 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.formula.generic | CHO2Rh36 | 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: | Cation-potential - DOI: 10.19061/iochem-bd-1-379 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/97275
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