Performance of DFT+U Approaches in the Study of Catalytic Materials

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dc.contributor.author	Capdevila-Cortada, Marçal
dc.contributor.author	Łodziana, Zbigniew
dc.contributor.author	López, Núria
dc.date.accessioned	2018-01-15T16:04:33Z
dc.date.accessioned	2018-02-15T10:27:52Z
dc.date.available	2018-01-15T16:04:33Z
dc.date.available	2018-02-15T10:27:52Z
dc.date.issued	2016
dc.identifier.uri	http://hdl.handle.net/2072/226362
dc.identifier.uri	http://hdl.handle.net/2072/305802
dc.language.iso	eng
dc.publisher	American Chemical Society
dc.relation	MINECO
dc.relation	NSC Poland
dc.relation	BSC-RES
dc.relation	Juan de la Cierva-Formación
dc.relation.ispartof	ACS Catalysis
dc.rights	Copyright © 2016 American Chemical Society
dc.subject.other	Density Functional Theory
dc.subject.other	Hubbard U
dc.subject.other	energy materials
dc.subject.other	accuracy
dc.subject.other	redox
dc.subject.other	metal oxides
dc.title	Performance of DFT+U Approaches in the Study of Catalytic Materials
dc.type	info:eu-repo/semantics/article
dc.relation.projectID	CTQ2015-68770-R
dc.relation.projectID	FJCI-2014-20568
dc.relation.projectID	2015/17/B/ST3/ 02478
dc.identifier.doi	https://dx.doi.org/10.1021/acscatal.6b01907
dc.rights.accessLevel	info:eu-repo/semantics/openAccess

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