Performance of DFT+<i>U</i>Approaches in the Study of Catalytic Materials

Abstract

ADVERTISEMENT RETURN TO ISSUEPREVViewpointNEXTPerformance of DFT+U Approaches in the Study of Catalytic MaterialsMarçal Capdevila-Cortada†, Zbigniew Łodziana‡, and Núria López*†View Author Information† Institute of Chemical Research of Catalonia (ICIQ), The Barcelona Institute of Science and Technology, Av. Països Catalans, 16, 43007 Tarragona, Spain‡ The Henryk Niewodniczanski Institute of Nuclear Physics (IFJ-PAN) Radzikowskiego 152, 31-342 Kraków, Poland*E-mail: [email protected]Cite this: ACS Catal. 2016, 6, 12, 8370–8379Publication Date (Web):November 7, 2016Publication History Received8 July 2016Published online17 November 2016Published inissue 2 December 2016https://pubs.acs.org/doi/10.1021/acscatal.6b01907https://doi.org/10.1021/acscatal.6b01907editorialACS PublicationsCopyright © 2016 American Chemical Society. This publication is available under these Terms of Use. Request reuse permissions This publication is free to access through this site. Learn MoreArticle Views12723Altmetric-Citations139LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail PDF (2 MB) Get e-AlertscloseSUBJECTS:Electrical energy,Electronic structure,Materials,Oxides,Redox reactions Get e-Alerts