1. Barcelona Supercomputing Center
  2. BSC host
  3. NO3RR_JACS_Au

ioChem-BD Browse module - Item page

Item metadata and files

Code snippets

Actions:

View dataDownload geometry
Files in This Item:
File Retrieve
output.cmlDownload
INCARDownload
Referenced by:

Manuscript title: Time-Resolved Raman Spectroscopy of Nitrate Electroreduction Reveals Dynamic Interfacial Adsorbate Evolution

DOI: 10.1021/jacsau.6c01050

Full metadata record
DC FieldValueLanguage
dc.contributor.authorFloriano Costa, Gabriel
dc.contributor.authorBarroso-Martinez, Jaxiry
dc.contributor.authorFenoll Silvestre, Didac Armand
dc.contributor.authorEscudero-Escribano, María
dc.contributor.authorGarcia Melchor, Max
dc.date.accessioned2026-04-13T13:52:46Z-
dc.date.available2026-10-14T05:38:37Z-
dc.date.created2026-04-13T13:52:23.670971Z
dc.date.issued2026-04-13T13:52:23.670971Z
dc.identifier.urihttps://iochem-bd.bsc.es/browse/handle/100/492755-
dc.description.abstractOptimization
dc.description.sponsorshipBarcelona Supercomputing Center
dc.publisherBarcelona Supercomputing Center
dc.relationOriginal title: Time-Resolved Raman Spectroscopy of Nitrate Electroreduction Reveals Dynamic Interfacial Adsorbate Evolution DOI: 10.1021/jacsau.6c01050*
dc.relation.urihttp://dx.doi.org/10.1021/jacsau.6c01050*
dc.rightsCC BY 4.0 (c) Barcelona Supercomputing Center, 2026
dc.rights.urihttp://creativecommons.org/licenses/by/4.0/
dc.subjectSilver
dc.subjectNitrogen
dc.subjectElectrochemistry
dc.subjectRaman spectroscopy
dc.subjectReduction
dc.subjectDensity functional calculations
dc.title/NOx_adsorbates/NO2/Flat/bare/*no*o no2_flat_bare_noo
dc.typedataset
cml.program.namevasp
cml.program.version6.4.2
cml.program.other20Jul23 (build May 01 2024 18:10:19) complex
cml.methodDFT
cml.shelltypeOpen shell
cml.energy.value-63.14882736
cml.energy.unitseV
cml.formula.genericNO2Ag64
cml.calculationtypeSingle point
cml.hassolventfalse
cml.hasvibrationalfrequenciesfalse
cml.numberofjobs1
cml.hasmolecularorbitalsfalse
Appears in Collections:NO3RR_JACS_Au

Show simple item record
Share Facebook Twitter Email


Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/492755

Item files in Browse  Creative Commons License
HTML5 resume (see conditions inside)Creative Commons License