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

Tomofumi Tada, Shinya Hamayama, Masakazu Kondo, Kazunari Yoshizawa

Research output: Contribution to journalArticlepeer-review

26 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)12443-12448
Number of pages6
JournalJournal of Physical Chemistry B
Volume109
Issue number25
DOIs
Publication statusPublished - Jun 30 2005

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Materials Chemistry

Fingerprint Dive into the research topics of 'Quantum transport effects in copper(II) phthalocyanine sandwiched between gold nanoelectrodes'. Together they form a unique fingerprint.

Cite this