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

130 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
Pages (from-to)6072-6082
Number of pages11
JournalJournal of Chemical Physics
Volume118
Issue number13
DOIs
StatePublished - 1 Apr 2003

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