STRUCTURE SENSITIVITY IN ADSORPTION - CO INTERACTION WITH STEPPED ANDRECONSTRUCTED PT SURFACES

Authors
HAMMER B NIELSEN OH NORSKOV JK
Citation
B. Hammer et al., STRUCTURE SENSITIVITY IN ADSORPTION - CO INTERACTION WITH STEPPED ANDRECONSTRUCTED PT SURFACES, Catalysis letters, 46(1-2), 1997, pp. 31-35
Citations number
21
Categorie Soggetti
Chemistry Physical
Journal title
Catalysis letters → ACNP
ISSN journal
1011372X
Volume
46
Issue
1-2
Year of publication
1997
Pages
31 - 35
Database
ISI
SICI code
1011-372X(1997)46:1-2<31:SSIA-C>2.0.ZU;2-K
Abstract
The structure sensitivity of CO adsorption on different flat, stepped, kinked and reconstructed Pt surfaces is studied using large-scale den sity-functional calculations. We find an extremely strong structure se nsitivity in the adsorption energy with variations up to 1 eV (or 100% ) from one structure to the next. We propose a model to explain this b ehavior, and use it to discuss more generally the origin of structure sensitivity in heterogeneous catalysis.