Electron transport in molecular enamel wires

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

Research output: Contribution to journalArticlepeer-review

13 Citations (Scopus)


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
Issue number4 B
Publication statusPublished - 2004 Apr


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


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