Calculating electron current in a tight-binding model of a field-driven molecular wire: Application to xylyl-dithiol

Alexander Tikhonov, Rob D. Coalson, Yuri Dahnovsky

Research output: Contribution to journalArticlepeer-review

57 Citations (Scopus)

Abstract

A Floquet theory-based formalism for computing electron transport in a molecular bridge coupled to two metal electrodes in presence of monochromatic ac radiation field was developed. The formalism was applied to xylyl-dithiol in contact with gold electrodes. Electron current was calculated for experimental inputs, including dc bias, intensity and frequency of the laser. Resonant conditions were achieved under which electron transport was enhanced through absorption/emission of photons.

Original languageEnglish
Pages (from-to)567-580
Number of pages14
JournalJournal of Chemical Physics
Volume117
Issue number2
DOIs
Publication statusPublished - Jul 8 2002
Externally publishedYes

ASJC Scopus subject areas

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

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