Molecular Design for Electron-Transporting Molecules using Vibronic Coupling Density

• Sato Tohru

  Graduate School of Engineering, Kyoto University

• Shizu Katsuyuki

  Graduate School of Engineering, Kyoto University

• Tanaka Kazuyoshi

  Graduate School of Engineering, Kyoto University

• Kaji Hironori

  Institute for Chemical Research, Kyoto University

Bibliographic Information

Other Title

• 振電相互作用密度による電子輸送材料の分子設計

Abstract

In the development of highly efficient organic light-emitting diodes, carrier-transporting materials with a high mobility and a low energy dissipation. It is necessary to reduce vibronic couplings in a molecule. A concept of vibronic coupling density enables us to control vibronic couplings. In this presentation, we will present a design principle of carrier-transporting molecules and novel electron-transporting molecules as examples.

Journal

• Proceedings of the Symposium on Chemoinformatics

  Proceedings of the Symposium on Chemoinformatics 2011 (0), P10-P10, 2011

  Division of Chemical Information and Computer Sciences The Chemical Society of Japan

Keywords

• vibronic coupling
• organic light-emitting diode
• density functional method
• carrier-transporting molecule

Details

• CRID: 1390282680714654976
• NII Article ID: 130005054547
• DOI: 10.11545/ciqs.2011.0.p10.0
• Data Source:
  • JaLC
  • CiNii Articles
• Abstract License Flag: Disallowed