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

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

Research output: Contribution to journalArticle

34 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

Fingerprint

Solenoids
solenoids
wire
Wire
Bias voltage
Fermi level
Threshold voltage
electronics
Gold
Iodine
Transport properties
iodine
simulation
transport properties
Doping (additives)
gold
Electrodes
Molecules
thresholds
electrodes

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Electronic transport of benzothiophene-based chiral molecular solenoids studied by theoretical simulations. / Tagami, Katsunori; Tsukada, Masaru; Wada, Yasuo; Iwasaki, Tomokazu; Nishide, Hiroyuki.

In: Journal of Chemical Physics, Vol. 119, No. 14, 08.10.2003, p. 7491-7497.

Research output: Contribution to journalArticle

Tagami, Katsunori ; Tsukada, Masaru ; Wada, Yasuo ; Iwasaki, Tomokazu ; Nishide, Hiroyuki. / Electronic transport of benzothiophene-based chiral molecular solenoids studied by theoretical simulations. In: Journal of Chemical Physics. 2003 ; Vol. 119, No. 14. pp. 7491-7497.
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