Identificador persistente para citar o vincular este elemento: http://hdl.handle.net/10553/75161
Campo DC Valoridioma
dc.contributor.authorCastellano-Varona, Blanca-
dc.contributor.authorHarb, Moussab-
dc.contributor.authorAraña Mesa, Francisco Javier-
dc.contributor.authorCavallo, Luigi-
dc.contributor.authorAzofra Mesa, Luis Miguel-
dc.date.accessioned2020-11-03T10:46:39Z-
dc.date.available2020-11-03T10:46:39Z-
dc.date.issued2020-
dc.identifier.issn1359-7345-
dc.identifier.urihttp://hdl.handle.net/10553/75161-
dc.description.abstractMetals are amongst the most efficient developed electrocatalysts for nitrogen reduction reaction (NRR) with iron and ruthenium presenting the best catalytic indicators. However, the potential use of metal alloys as NRR electrocatalysts is still underdeveloped. While Co has demonstrated poor electrocatalytic activity for NRR, alloying Co with Mo exhibits an improvement in both N2 physisorption and the stabilisation of the elusive N2H as the first reduced intermediate species. This stabilisation occurs on surface Mo or Co atoms with a high connectivity with Mo. Herein, we report a complete DFT study analysing the potential application of CoMo alloys as catalysts for N2-into-NH3 conversion given the low theoretical overpotentials that they present.-
dc.languageeng-
dc.relation.ispartofChemical Communications-
dc.sourceChemical communications [ISSN 1359-7345], v. 56, p. 13343-13346-
dc.subject221001 Catálisis-
dc.titleIn silico design of novel NRR electrocatalysts: cobalt–molybdenum alloys-
dc.typeinfo:eu-repo/semantics/article-
dc.typeArticle-
dc.identifier.doi10.1039/D0CC05921H-
dc.description.lastpage13346-
dc.identifier.issue87-
dc.description.firstpage13343-
dc.relation.volume56-
dc.investigacionCiencias-
dc.type2Artículo-
dc.description.numberofpages4-
dc.identifier.ulpgc-
dc.description.sjr1,837
dc.description.jcr6,222
dc.description.sjrqQ1
dc.description.jcrqQ1
dc.description.scieSCIE
item.grantfulltextopen-
item.fulltextCon texto completo-
crisitem.author.deptGIR IUNAT: Fotocatálisis y espectroscopía para aplicaciones medioambientales.-
crisitem.author.deptIU de Estudios Ambientales y Recursos Naturales-
crisitem.author.deptDepartamento de Química-
crisitem.author.deptGIR IUNAT: Fotocatálisis y espectroscopía para aplicaciones medioambientales.-
crisitem.author.deptIU de Estudios Ambientales y Recursos Naturales-
crisitem.author.orcid0000-0002-5551-029X-
crisitem.author.orcid0000-0003-4974-1670-
crisitem.author.parentorgIU de Estudios Ambientales y Recursos Naturales-
crisitem.author.parentorgIU de Estudios Ambientales y Recursos Naturales-
crisitem.author.fullNameAraña Mesa, Francisco Javier-
crisitem.author.fullNameAzofra Mesa, Luis Miguel-
Colección:Artículos
miniatura
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