Interactions of a conjugated molecular diode with small metal clusters of Cu, Ag, and Au: First-principles calculations

Chiranjib Majumder, Tina Briere, Hiroshi Mizuseki, Yoshiyuki Kawazoe

研究成果: Article査読

38 被引用数 (Scopus)

抄録

Electronic structure calculations were performed for a molecular diode connected with group 11 metal clusters (Cun, Agn, and Aun). One and three metal atoms were used as model systems to study the interactions between the molecule and metal atoms. It was found that while the inclusion of Au scarcely affects the unoccupied molecular orbitals, the effect is more pronounced in the cases of Cu and Ag.

本文言語English
ページ(範囲)7669-7675
ページ数7
ジャーナルJournal of Chemical Physics
117
16
DOI
出版ステータスPublished - 2002 10 22

ASJC Scopus subject areas

  • 物理学および天文学(全般)
  • 物理化学および理論化学

フィンガープリント

「Interactions of a conjugated molecular diode with small metal clusters of Cu, Ag, and Au: First-principles calculations」の研究トピックを掘り下げます。これらがまとまってユニークなフィンガープリントを構成します。

引用スタイル