ESR anisotropy of organic semiconductor molecules: Calculation and experiment

Hiroyuki Matsui, Daisuke Kumaki, Eiji Takahashi, Kazuo Takimiya, Mitsuhiro Ikawa, Shizuo Tokito, Tatsuo Hasegawa

研究成果: Conference article査読

抄録

We investigated the anisotropic g tensors of nine kinds of organic semiconductor molecules in the cationic state by density functional theory (DFT) calculations. Large anisotropy was obtained in sulfur-containing molecules because of the large spin-orbit coupling at the sulfur atoms. The calculated g values were validated by electron spin resonance (ESR) experiments for the cation radicals in solution.

本文言語English
ページ(範囲)6-9
ページ数4
ジャーナルMaterials Research Society Symposium Proceedings
1436
January
DOI
出版ステータスPublished - 2012
外部発表はい
イベント2012 MRS Spring Meeting - San Francisco, CA, United States
継続期間: 2012 4 92012 4 13

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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