DFT-LDA study of NO adsorption on Rh(110) surface

D. Liao, K. M. Glassford, R. Ramprasad, James Adams

Research output: Contribution to journalArticle

19 Scopus citations

Abstract

We examine the interaction between NO and the Rh(110) surface using ab initio DFT-LDA pseudo-potential plane-wave total energy calculations. Four different adsorption sites for perpendicular NO are considered. The short-bridge site with linear NO is found to be the optimal adsorption configuration. It is also possible for NO to bond parallel to the surface, and this may be the precursor to NO dissociation.

Original languageEnglish (US)
Pages (from-to)11-19
Number of pages9
JournalSurface Science
Volume415
Issue number1-2
DOIs
StatePublished - Sep 30 1998

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Keywords

  • Chemisorption
  • Density functional theory
  • Nitric oxide
  • Rhodium

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Materials Chemistry

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