Vibronic effects in off-resonant molecular wire conduction

Alessandro Troisi, Mark A Ratner, Abraham Nitzan

Research output: Contribution to journalArticle

122 Citations (Scopus)

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
Publication statusPublished - Apr 1 2003

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wire
Wire
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Metals
Molecules
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ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Vibronic effects in off-resonant molecular wire conduction. / Troisi, Alessandro; Ratner, Mark A; Nitzan, Abraham.

In: Journal of Chemical Physics, Vol. 118, No. 13, 01.04.2003, p. 6072-6082.

Research output: Contribution to journalArticle

Troisi, Alessandro ; Ratner, Mark A ; Nitzan, Abraham. / Vibronic effects in off-resonant molecular wire conduction. In: Journal of Chemical Physics. 2003 ; Vol. 118, No. 13. pp. 6072-6082.
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