Adsorption and Coadsorption of CO and NO on the RH(100) Surface. A Theoretical Analysis
CORNELL UNIV ITHACA NY DEPT OF CHEMISTRY
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The adsorption of Carbon monoxide, nitricoxide and their coadsorption on the Rh 100 surface are discussed in terms of extended Huckeltight binding calculations. Experimentally, it is not easy to resolve the linear and bent forms of NO and for this reason our calculations serve to examine not only the proposed adsorption geometries but also as means to investigate the NO dissociation mechanism. This dissociation is believed to be the fundamental step in the CONO reaction. The adsorption site and geometry are discussed for several NO chemisorptions. In addition, a discussion of the CONO reaction for the proposed adsorption of NO is presented. From this analysis, it is clear that predissociation of NO into atomic components can lead to recombination producing the desired reaction products, carbon dioxide and diatomic nitrogen. Furthermore, the co-adsorbate interactions can lead directly to the desired products.
- Physical Chemistry