Orbital view concept applied on photoswitching systems

Research output: Contribution to journalArticle

19 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)444-447
Number of pages4
JournalThin Solid Films
Volume518
Issue number2
DOIs
Publication statusPublished - Nov 30 2009

Fingerprint

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

Cite this

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

In: Thin Solid Films, Vol. 518, No. 2, 30.11.2009, p. 444-447.

Research output: Contribution to journalArticle

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