Based on an extensive set of density functional theory calculations it is shown that for a class of catalytic reactions there is a universal, reactant independent relation between the reaction activation energy and the stability of reaction intermediates. This leads directly to a universal relationship between adsorption energies and catalytic activity, which is used to pinpoint what it is that determines the best catalyst for a given reaction. The universality principle rationalizes a number of known facts about catalysts and points to new ways of improving them. c 2002 Elsevier Science (USA)

Based on an extensive set of density functional theory calculations it is shown that for a class of catalytic reactions there is a universal, reactant independent relation between the reaction activation energy and the stability of reaction intermediates. This leads directly to a universal relationship between adsorption energies and catalytic activity, which is used to pinpoint what it is that determines the best catalyst for a given reaction. The universality principle rationalizes a number of known facts about catalysts and points to new ways of improving them.

ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTCatalyst Design by Interpolation in the Periodic Table: Bimetallic Ammonia Synthesis CatalystsClaus J. H. Jacobsen, Søren Dahl, Bjerne S. Clausen, Sune Bahn, Ashildur Logadottir, and Jens K. NørskovView Author Information Haldor Topsøe A/S, Nymøllevej 55 DK-2800 Lyngby, Denmark Center for Atomic-Scale Materials Physics (CAMP) Technical University of Denmark, Building 307 DK-2800 Lyngby, Denmark Cite this: J. Am. Chem. Soc. 2001, 123, 34, 8404–8405Publication Date (Web):August 3, 2001Publication History Received16 April 2001Revised21 June 2001Published online3 August 2001Published inissue 1 August 2001https://doi.org/10.1021/ja010963dCopyright © 2001 American Chemical SocietyRIGHTS & PERMISSIONSArticle Views12943Altmetric-Citations546LEARN 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 InReddit Read OnlinePDF (41 KB) Get e-AlertscloseSUBJECTS:Activation energy,Adsorption,Ammonia,Catalysts,Nitrogen Get e-Alerts