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

Tomofumi Tada, Shinya Hamayama, Masakazu Kondo, Kazunari Yoshizawa

Research output: Contribution to journalArticle

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

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Gold
Copper
gold
copper
Molecular orbitals
Green's function
molecular orbitals
Green's functions
Electrodes
electrodes
Electronic states
Fermi level
formalism
phthalocyanine
augmentation
symmetry
electronics
interactions

All Science Journal Classification (ASJC) codes

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

Cite this

Quantum transport effects in copper(II) phthalocyanine sandwiched between gold nanoelectrodes. / Tada, Tomofumi; Hamayama, Shinya; Kondo, Masakazu; Yoshizawa, Kazunari.

In: Journal of Physical Chemistry B, Vol. 109, No. 25, 30.06.2005, p. 12443-12448.

Research output: Contribution to journalArticle

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