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 language | English |
|---|---|
| Journal | Journal of Catalysis |
| Volume | 209 |
| Issue number | 2 |
| Pages (from-to) | 275-278 |
| ISSN | 0021-9517 |
| Publication status | Published - 2002 |
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