Vibronic effects in off-resonant molecular wire conduction

Alessandro Troisi*, Mark A. Ratner, Abraham Nitzan

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

123 Scopus citations

Abstract

A model for the calculation of the inelastic contribution to the electrical conduction in molecular wires is presented. Such a model is designed to be use in connection with ab initio calculations, where a suitable cluster models the metal-molecule-metal junction. The model is applied to the calculation of the inelastic contribution to the conductance for several molecules usually taken as models of molecular wires.

Original languageEnglish (US)
Pages (from-to)6072-6082
Number of pages11
JournalJournal of Chemical Physics
Volume118
Issue number13
DOIs
StatePublished - Apr 1 2003

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Fingerprint Dive into the research topics of 'Vibronic effects in off-resonant molecular wire conduction'. Together they form a unique fingerprint.

Cite this