CO adsorption and dissociation on Rh(111)
- 1 May 1988
- journal article
- Published by American Vacuum Society in Journal of Vacuum Science & Technology A
- Vol. 6 (3) , 1128-1133
- https://doi.org/10.1116/1.575658
Abstract
Using the atom superposition and electron delocalization molecular orbital method, we studied the adsorption of C, O, and CO on different sites of Rh(111) represented by a small cluster of 29 Rh atoms. By calculating the activation energy of several possible reaction paths, the most probable mechanism of CO dissociation can be found. A stepped Rh(111) is simulated by a ridge of six extra Rh atoms. The influence of this ridge on both CO adsorption and dissociation will be discussed.Keywords
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