Electronic transport of benzothiophene-based chiral molecular solenoids studied by theoretical simulations

Katsunori Tagami*, Masaru Tsukada, Yasuo Wada, Tomokazu Iwasaki, Hiroyuki Nishide

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

36 Citations (Scopus)

Abstract

The electronic transport properties of two types of benzothiophene-based molecular wires (linear and helical molecular wires) were studied via theoretical calculations. In the molecular bridge system where these molecules are connected to the gold electrodes by S-Au bonds, the transmission peaks were found to lie at energies somewhat lower than 0.5 eV below the Fermi level for both cases. Upon iodine doping, the threshold bias voltage was reduced.

Original languageEnglish
Pages (from-to)7491-7497
Number of pages7
JournalJournal of Chemical Physics
Volume119
Issue number14
DOIs
Publication statusPublished - 2003 Oct 8

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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