Ligand effects on surface oxide at RhPd(100) alloy surfaces: A density functional theory calculation study

Naoki Shirahata, Ryo Toyoshima, Masaaki Yoshida, Kohei Ueda, Kazuhiko Mase, Bongjin Simon Mun, Hiroshi Kondoh

研究成果: Article査読

1 被引用数 (Scopus)

抄録

Density functional theory calculations were applied to a study on ligand effects on a Pd surface oxide formed on RhPd(100) alloy surfaces. It was found that chemical composition of the topmost layer of alloy significantly influences on the electronic structure of the Pd surface oxide. Such interlayer ligand effects are originating from the Rh−O and Pd−O interactions between the topmost layer of alloy and the Pd surface oxide. These effects give rise to substantial changes in binding energies of adsorbates and could change catalytic activity depending on atomic fraction of the Rh−Pd alloy.

本文言語English
論文番号121958
ジャーナルSurface Science
716
DOI
出版ステータスPublished - 2022 2月
外部発表はい

ASJC Scopus subject areas

  • 凝縮系物理学
  • 表面および界面
  • 表面、皮膜および薄膜
  • 材料化学

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