Adsorption and Dissociation ofon Ag(110)
- 28 October 1996
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 77 (18) , 3933-3936
- https://doi.org/10.1103/physrevlett.77.3933
Abstract
First principles calculations for the adsorption of on Ag(110) are presented. We find a peroxolike chemisorbed state whose geometry, binding energy, and dissociation path agree well with experiment. A second, superoxolike state appears to be a strongly overbound description of the observed physisorbed state. Also, no barrier is found into the chemisorbed state from the gas phase. The cause of these apparent inconsistencies with experiment for larger molecule-surface separations is discussed.
Keywords
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