Orbital view concept applied on photoswitching systems

研究成果: ジャーナルへの寄稿記事

19 引用 (Scopus)

抄録

Diarylethenes are a class of photochromic molecules whose conductance switches with their photoisomerization. We have investigated the conductance of diarylethenes using non-equilibrium Green's function method combined with Hückel method (NEGF-HMO) and density functional theory (NEGF-DFT). In this study we have found that the qualitative predictions based on frontier orbital analysis are consistent with the DFT calculations and can be used for prediction of the electron transport properties of molecular devices.

元の言語英語
ページ(範囲)444-447
ページ数4
ジャーナルThin Solid Films
518
発行部数2
DOI
出版物ステータス出版済み - 11 30 2009

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Electron transport properties
Photoisomerization
orbitals
predictions
Green's function
Discrete Fourier transforms
Density functional theory
Green's functions
switches
transport properties
Switches
density functional theory
Molecules
molecules
electrons

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Surfaces and Interfaces
  • Surfaces, Coatings and Films
  • Metals and Alloys
  • Materials Chemistry

これを引用

Orbital view concept applied on photoswitching systems. / Tsuji, Yuta; Staykov, Aleksandar Tsekov; Yoshizawa, Kazunari.

:: Thin Solid Films, 巻 518, 番号 2, 30.11.2009, p. 444-447.

研究成果: ジャーナルへの寄稿記事

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