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

Akira Endou, Ryo Yamauchi, Momoji Kubo, A. Stirling, Akira Miyamoto

Research output: Contribution to journalArticle

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 M2 (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
Publication statusPublished - Oct 1997

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Rhodium
Palladium
rhodium
palladium
Adsorption
adsorption
Adsorbates
Discrete Fourier transforms
Charge transfer
Metals
charge transfer
energy
Electrons
configurations
metals
electrons

Keywords

  • Density functional calculations
  • NO adsorption
  • Palladium
  • Rhodium

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Condensed Matter Physics

Cite this

Endou, A., Yamauchi, R., Kubo, M., Stirling, A., & Miyamoto, A. (1997). Adsorption of NO on rhodium and palladium clusters: A density functional study. Applied Surface Science, 119(3-4), 318-320.

Adsorption of NO on rhodium and palladium clusters : A density functional study. / Endou, Akira; Yamauchi, Ryo; Kubo, Momoji; Stirling, A.; Miyamoto, Akira.

In: Applied Surface Science, Vol. 119, No. 3-4, 10.1997, p. 318-320.

Research output: Contribution to journalArticle

Endou, A, Yamauchi, R, Kubo, M, Stirling, A & Miyamoto, A 1997, 'Adsorption of NO on rhodium and palladium clusters: A density functional study', Applied Surface Science, vol. 119, no. 3-4, pp. 318-320.
Endou, Akira ; Yamauchi, Ryo ; Kubo, Momoji ; Stirling, A. ; Miyamoto, Akira. / Adsorption of NO on rhodium and palladium clusters : A density functional study. In: Applied Surface Science. 1997 ; Vol. 119, No. 3-4. pp. 318-320.
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