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

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

doi:10.1063/1.1606436

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

Waseda Research Institute for Science and Engineering

Research output: Contribution to journal › Article › peer-review

38 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 language	English
Pages (from-to)	7491-7497
Number of pages	7
Journal	Journal of Chemical Physics
Volume	119
Issue number	14
DOIs	https://doi.org/10.1063/1.1606436
Publication status	Published - 2003 Oct 8

ASJC Scopus subject areas

Atomic and Molecular Physics, and Optics

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AU - Nishide, Hiroyuki

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AB - 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.

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

Abstract

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