Universality in heterogeneous catalysis

Jens Kehlet Nørskov, Thomas Bligaard Pedersen, Ashildur Logadottir, Sune Rastad Bahn, Lars Bruno Hansen, Mikkel Bollinger, Hanne Skov Bengaard, Bjørk Hammer, Z. Sljivancanin, Manos Mavrikakis, Y. Xu, Søren Dahl, C.J.H. Jacobsen

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

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.
Original languageEnglish
JournalJournal of Catalysis
Volume209
Issue number2
Pages (from-to)275-278
ISSN0021-9517
Publication statusPublished - 2002

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