ioChem-BD Browse module - Item page
Item metadata and files
Code snippets
Referenced by:
Manuscript title: Time-Resolved Raman Spectroscopy of Nitrate Electroreduction Reveals Dynamic Interfacial Adsorbate Evolution
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Floriano Costa, Gabriel | |
| dc.contributor.author | Barroso-Martinez, Jaxiry | |
| dc.contributor.author | Fenoll Silvestre, Didac Armand | |
| dc.contributor.author | Escudero-Escribano, María | |
| dc.contributor.author | Garcia Melchor, Max | |
| dc.date.accessioned | 2026-04-13T13:52:40Z | - |
| dc.date.available | 2026-10-14T05:38:37Z | - |
| dc.date.created | 2026-04-13T13:52:20.388734Z | |
| dc.date.issued | 2026-04-13T13:52:20.388734Z | |
| dc.identifier.uri | https://iochem-bd.bsc.es/browse/handle/100/492747 | - |
| dc.description.abstract | Frequencies (im) | |
| dc.description.sponsorship | Barcelona Supercomputing Center | |
| dc.publisher | Barcelona Supercomputing Center | |
| dc.relation | Original title: Time-Resolved Raman Spectroscopy of Nitrate Electroreduction Reveals Dynamic Interfacial Adsorbate Evolution DOI: 10.1021/jacsau.6c01050 | * |
| dc.relation.uri | http://dx.doi.org/10.1021/jacsau.6c01050 | * |
| dc.rights | CC BY 4.0 (c) Barcelona Supercomputing Center, 2026 | |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | |
| dc.subject | Silver | |
| dc.subject | Nitrogen | |
| dc.subject | Electrochemistry | |
| dc.subject | Raman spectroscopy | |
| dc.subject | Reduction | |
| dc.subject | Density functional calculations | |
| dc.title | /NOx_adsorbates/NO2/Ag1/inter no2_ag1_inter_freq | |
| dc.type | dataset | |
| cml.program.name | vasp | |
| cml.program.version | 6.4.1 | |
| cml.program.other | 05Apr23 (build May 28 2025 12:32:09) complex | |
| cml.method | DFT | |
| cml.shelltype | Open shell | |
| cml.energy.value | -63.67302170 | |
| cml.energy.units | eV | |
| cml.formula.generic | NO2Ag65 | |
| cml.calculationtype | Single point | |
| cml.hassolvent | false | |
| cml.hasvibrationalfrequencies | true | |
| cml.numberofjobs | 1 | |
| cml.hasmolecularorbitals | false | |
| Appears in Collections: | NO3RR_JACS_Au | |
Please use this identifier to cite or link to this item:
https://iochem-bd.bsc.es/browse/handle/100/492747
Item files in Browse 
HTML5 resume (see conditions inside)