Author/Authors :
J.K. N?rskov، نويسنده , , T. Bligaard، نويسنده , , A. Logadottir، نويسنده , , C. S. Bahn، نويسنده , , L.B. Hansen، نويسنده , , M. Bollinger، نويسنده , , H. Bengaard، نويسنده , , B. Hammer، نويسنده , , Z. Sljivancanin، نويسنده , , M. Mavrikakis، نويسنده , , Y. Xu، نويسنده , , Michael S. Dahl، نويسنده , , C.J.H. Jacobsen، نويسنده ,
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.
