Development of Computational Method for Analysis of Carrier Transfer in Light-Emitting Polymers
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概要
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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 tight-binding quantum chemistry calculation with Monte Carlo method. This novel method was applied to the prediction of electron transfer in poly(9,9$'$-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 4.0 Å.
- 2010-04-25
著者
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Onuma Hiroaki
Department Of Applied Chemistry Graduate School Of Engineering Tohoku University
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Yamashita Itaru
Department Of Psychiatry And Neurology Hokkaido University School Of Medicine
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Mark C.
Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, 6-6-11-1302 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan
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Ryuji Miura
Department of Chemical Engineering, Graduate School of Engineering, Tohoku University, 6-6-11-1302 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan
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Serizawa Kazumi
Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, 6-6-11-1302 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan
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Ai Suzuki
New Industry Creation Hatchery Center, Tohoku University, 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan
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Hideyuki Tsuboi
Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, 6-6-11-1302 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan
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Nozomu Hatakeyama
Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, 6-6-11-1302 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan
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Akira Endou
Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, 6-6-11-1302 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan
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Hiromitsu Takaba
Department of Chemical Engineering, Graduate School of Engineering, Tohoku University, 6-6-11-1302 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan
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Momoji Kubo
Fracture and Reliability Research Institute, Graduate School of Engineering, Tohoku University, 6-6-11-701 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan
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Akira Miyamoto
New Industry Creation Hatchery Center, Tohoku University, 6-6-10 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan
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Yamashita Itaru
Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, 6-6-11-1302 Aoba, Aramaki, Aoba-ku, Sendai 980-8579, Japan
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