Adsorption and Coadsorption of CO and NO on the RH(100) Surface. A Theoretical Analysis

Abstract

The adsorption of Carbon monoxide, nitricoxide and their coadsorption on the Rh (100) surface are discussed in terms of extended Huckel/tight 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 CO/NO reaction. The adsorption site and geometry are discussed for several NO chemisorptions. In addition, a discussion of the CO/NO 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.

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Document Details

Document Type
Technical Report
Publication Date
Apr 14, 1989
Accession Number
ADA207323

Entities

People

  • D. L. Vuckovic
  • Ryan Hoffmann
  • S. A. Jansen

Organizations

  • Cornell University Department of Chemistry and Chemical Biology

Tags

Communities of Interest

  • Energy and Power Technologies

DTIC Thesaurus Topics

  • Carbon Dioxide
  • Carbon Monoxide
  • Chemical Compounds
  • Chemical Reactions
  • Chemistry
  • Classification
  • Computational Science
  • Desorption
  • Dielectric Gases
  • Electron Density
  • Electrons
  • Geometry
  • Low Temperature
  • Materials Science
  • Military Research
  • Molecular Orbital Theory
  • Transition Metals

Readers

  • Electrochemical Engineering/ Fuel Cell Technologies
  • Molecular Photonics/Laser Physics
  • Systems Analysis and Design