Development of computational method for analysis of carrier transfer in light-emitting polymers

Itaru Yamashita, Kazumi Serizawa, Hiroaki Onuma, Ai Suzuki, Ryuji Miura, Hideyuki Tsuboi, Nozomu Hatakeyama, Akira Endou, Hiromitsu Takaba, Momoji Kubo, Mark C. Williams, Akira Miyamoto

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

For the analysis of the relationship between carrier transfer properties and morphologies of light-emitting polymers, it is important to investigate carrier transfer pathways. We developed a novel computational method for analysis of carrier transfer pathways by the combination of tightbinding quantum chemistry calculation with Monte Carlo method. This novel method was applied to the prediction of electron transfer in poly(9,90- dioctylfluorene)(PDOF), which is known as a blue light-emitting polymer. We successfully investigated the electron transfer pathways in PDOF films. We found that the electron transfer mainly occurs in an intra chain, but the inter chain electron transfer was also observed between aromatic rings whose distance was less than 4.0Å.

Original languageEnglish
Article number04DK13
JournalJapanese journal of applied physics
Volume49
Issue number4 PART 2
DOIs
Publication statusPublished - 2010 Apr 1

ASJC Scopus subject areas

  • Engineering(all)
  • Physics and Astronomy(all)

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