A theoretical study of interaction of oxygen with noble metal clusters

X. Wan, K. Yoshizawa, N. Ohashi, A. Endou, Seiichi Takami, Momoji Kubo, Akira Miyamoto, A. Imamura

Research output: Contribution to journalArticlepeer-review

3 Citations (Scopus)

Abstract

The interaction of molecular and atomic oxygen with Mo, Tc, Ru, Rh, Pd, Ag, W, Re, Os, Ir, Pt, and Au clusters is studied using the density functional method. In the adsorption of O2 case, O2 axis is perpendicular to the clusters. With the full optimization approach on small clusters, closer properties of the bigger particles present in real supported catalysts are obtained.

Original languageEnglish
Pages (from-to)1919-1923
Number of pages5
JournalScripta Materialia
Volume44
Issue number8-9
DOIs
Publication statusPublished - 2001 May 18

Keywords

  • Adsorption
  • Density functional method
  • Noble metal clusters
  • Oxygen molecule

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys

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