Electron transport in molecular enamel wires

Rodion V. Belosludov, Amir A. Farajian, Hiroshi Mizuseki, Kyoko Ichinoseki, Yoshiyuki Kawazoe

Research output: Contribution to journalArticle

13 Citations (Scopus)

Abstract

The electronic transport through a single molecular enamel wire such as an inclusion complex between polythiophene (PT) and β-cyclodextrin (β-CD) molecules has been investigated by the nonequilibrium Green's function formalism of quantum transport and density functional theory (DFT) of electronic structures using local orbital basis sets. Major conducting channels in all structures correspond to the states extended along the entire length of the system. Encapsulating PT in β-CDs might be a good method for obtaining an isolated single molecular wire, practicularly if accompanied by doping in order to enhance the conductance.

Original languageEnglish
Pages (from-to)2061-2063
Number of pages3
JournalJapanese Journal of Applied Physics, Part 1: Regular Papers and Short Notes and Review Papers
Volume43
Issue number4 B
DOIs
Publication statusPublished - 2004 Apr

Keywords

  • DFT method
  • Electron transport
  • Molecular enamel wire
  • Nonequlibrium Green's function technique
  • Polythiophene
  • β-CDs

ASJC Scopus subject areas

  • Engineering(all)
  • Physics and Astronomy(all)

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