Influence of Coadsorbates on the NO Dissociation on a Rhodium(311) Surface
- 6 December 2005
- journal article
- Published by Wiley in Chemphyschem
- Vol. 6 (12), 2513-2521
- https://doi.org/10.1002/cphc.200500222
Abstract
Density functional theory (DFT) studies were performed to investigate the influence of coadsorbates on the nitrogen oxide dissociation on the vicinal rhodium(311) surface. This study amplifies prior studies on the dissociation of oxygen and nitrogen oxide on the (111) facet of rhodium. The influence of coadsorbates on the kinetic parameters and thermochemistry of the NO dissociation on Rh(311) was studied. In addition, the activation energy and thermochemistry of this reaction were determined as a function of oxygen preoccupation/initial coverage. Steric and electronic effects and their influence on the dissociation reaction were examined. The results are discussed in the face of an NOxdissociation catalyst system proposed by Nakatsuji.Keywords
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