Universality in Heterogeneous Catalysis

Universality in Heterogeneous Catalysis

by J. K. Norskov, T. Bligaard, A. Logadottir, S. Bahn, L. B. Hansen, M. Bollinger, H. Bengaard, B. Hammer, Z. Sljivancanin, M. Mavrikakis, Y. Xu, S. Dahl, and C. J. H. Jacobsen.

10. Catal. 209, 275-278 (2002).

Abstract

Based on an extensive set of density functional theory calculations it is shown that for a class of catalytic reactions there is a universa, 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.