Quantum transport effects in copper(II) phthalocyanine sandwiched between gold nanoelectrodes

Tomofumi Tada, Shinya Hamayama, Masakazu Kondo, Kazunari Yoshizawa

研究成果: Contribution to journalArticle査読

26 被引用数 (Scopus)

抄録

The electrical transmission of copper(II) phthalocyanine (CuPc) sandwiched between gold nanoelectrodes is studied on the basis of the Green function formalism coupled with the Gaussian-broadening technique. In the Au-CuPc-Au junction, broadened density of states (DOS) of the Au chains is defined as continuous DOS of electrodes to calculate the Green function of the electrodes. Two peaks of the transmission function found in the vicinity of the Fermi level are analyzed in terms of molecular orbitals (MOs). A convenient procedure to analyze MO contribution to a transmission peak is proposed. It is found that (I) symmetry-matched interactions between CuPc and the gold nanoelectrodes are important to the enhancement of the transmission function and (II) the nanoelectrodes have almost no effect on the electronic states of CuPc.

本文言語英語
ページ(範囲)12443-12448
ページ数6
ジャーナルJournal of Physical Chemistry B
109
25
DOI
出版ステータス出版済み - 6 30 2005

All Science Journal Classification (ASJC) codes

  • 物理化学および理論化学
  • 表面、皮膜および薄膜
  • 材料化学

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