Orbital views of the electron transport in molecular devices

研究成果: ジャーナルへの寄稿記事

146 引用 (Scopus)

抄録

Extended π-conjugated molecules are interesting materials that have been studied theoretically and experimentally with applications to conducting nanowire, memory, and diode in mind. Chemical understanding of electron transport properties in molecular junctions, in which two electrodes have weak contact with a π-conjugated molecule, is presented in terms of the orbital concept. The phase and amplitude of the HOMO and LUMO of π-conjugated molecules determine essential properties of the electron transport in them. The derived rule allows us to predict single molecules' essential transport properties, which significantly depend on the type of connection between a molecule and electrodes. Qualitative predictions based on frontier orbital analysis about the site-dependent electron transport in naphthalene, phenanthrene, and anthracene are compared with density functional theory calculations for the molecular junctions of their dithiolate derivatives, in which two gold electrodes have strong contact with a molecule through two Au-S bonds.

元の言語英語
ページ(範囲)9406-9413
ページ数8
ジャーナルJournal of the American Chemical Society
130
発行部数29
DOI
出版物ステータス出版済み - 7 23 2008

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Electron Transport
Electrodes
Equipment and Supplies
Molecules
Nanowires
Gold
Electron transport properties
Anthracene
Naphthalene
Transport properties
Density functional theory
Diodes
Derivatives
Data storage equipment

All Science Journal Classification (ASJC) codes

  • Catalysis
  • Chemistry(all)
  • Biochemistry
  • Colloid and Surface Chemistry

これを引用

Orbital views of the electron transport in molecular devices. / Yoshizawa, Kazunari; Tada, Tomofumi; Staykov, Aleksandar Tsekov.

:: Journal of the American Chemical Society, 巻 130, 番号 29, 23.07.2008, p. 9406-9413.

研究成果: ジャーナルへの寄稿記事

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