Adsorption of NO on rhodium and palladium clusters: A density functional study

Akira Endou, Ryo Yamauchi, Momoji Kubo, András Stirling, Akira Miyamoto

Research output: Contribution to journal › Article › peer-review

18 Citations (Scopus)

Abstract

DFT calculations for the adsorption of NO on M2 and MO (M = Rh, Pd) clusters are presented. NO is adsorbed in a bridge position on M 2 (M-NO-M) and in a bent configuration on MO (OM-NO). The adsorption energy is larger for rhodium. The overall charge transfer is a back donation of electrons to the adsorbate which leads to an increase of the NO bond. The adsorption energy is smaller when the metal is oxidized as MO.

Original languageEnglish
Pages (from-to)318-320
Number of pages3
JournalApplied Surface Science
Volume119
Issue number3-4
DOIs
Publication statusPublished - 1997 Oct

Keywords

  • Density functional calculations
  • NO adsorption
  • Palladium
  • Rhodium

ASJC Scopus subject areas

  • Chemistry(all)
  • Condensed Matter Physics
  • Physics and Astronomy(all)
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films

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