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Manuscript title: Ag─S Sites Steer Furfural Electroreduction to Furfuryl Alcohol
Journal: Angew. Chem. Int. Ed.
DOI: 10.1002/anie.1214768
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Morales-Vidal, Jordi | |
| dc.date.accessioned | 2026-07-20T10:46:57Z | - |
| dc.date.available | 2026-09-29T07:40:08Z | - |
| dc.date.created | 2026-07-20T12:46:43.015283+02:00 | |
| dc.date.issued | 2026-07-20T12:46:43.015283+02:00 | |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/120487 | - |
| dc.description.abstract | H₂O adsorption on Ag(111) in aqueous K+ electrolyte | |
| dc.description.sponsorship | Institute of Chemical Research of Catalonia | |
| dc.publisher | Institute of Chemical Research of Catalonia | |
| dc.relation | Original title: Ag─S Sites Steer Furfural Electroreduction to Furfuryl Alcohol DOI: 10.1002/anie.1214768 Journal: Angew. Chem. Int. Ed. | * |
| dc.relation.uri | http://dx.doi.org/10.1002/anie.1214768 | * |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2026 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.title | /Energy-profiles/H₂O-dissociation/Ag-H₂O-dissociation-solvent H₂O-Ag(111)-solvent | |
| dc.type | dataset | |
| cml.program.name | vasp | |
| cml.program.version | 5.4.4 | |
| cml.program.other | 18Apr17-6-g9f103f2a35 (build Aug 22 2024 14:11:11) complex | |
| cml.method | DFT | |
| cml.shelltype | Closed shell | |
| cml.energy.value | -200.90259601 | |
| cml.energy.units | eV | |
| cml.formula.generic | H2OAg64 | |
| cml.calculationtype | Geometry optimization | |
| cml.hassolvent | false | |
| cml.hasvibrationalfrequencies | false | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | Ag-S-FF-FA - DOI: 10.19061/iochem-bd-1-414 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/120487
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