Design of Linearly Substituted Fullerene Bis-Adducts with High Dielectric Constants Based on Theoretical Calculations
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- Fukashi Matsumoto
- Research Division of Organic Materials, Osaka Research Institute of Industrial Science and Technology, 1-6-50 Morinomiya, Joto-ku, Osaka 536-8553 , Japan
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- Shuhei Sumino
- Research Division of Organic Materials, Osaka Research Institute of Industrial Science and Technology, 1-6-50 Morinomiya, Joto-ku, Osaka 536-8553 , Japan
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- Toshiyuki Iwai
- Research Division of Organic Materials, Osaka Research Institute of Industrial Science and Technology, 1-6-50 Morinomiya, Joto-ku, Osaka 536-8553 , Japan
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- Takatoshi Ito
- Research Division of Organic Materials, Osaka Research Institute of Industrial Science and Technology, 1-6-50 Morinomiya, Joto-ku, Osaka 536-8553 , Japan
抄録
<jats:title>Abstract</jats:title> <jats:p>The low dielectric constants of organic semiconductors, relative to those of inorganic materials, are an intrinsic limitation. Improving the dielectric constant is important for the development of organic electronics. In this study, we established a method for increasing the dielectric constant of fullerene derivatives based on theoretical calculations and cheminformatics. We designed linearly substituted C70 fullerene bis-adducts with two different substituents and investigated the properties of the thin film devices. The bis-adducts had relatively high dielectric constants and moderate electron mobilities. Our study reveals that high-throughput computational screening is an effective strategy for the design of fullerene bis-adducts with high dielectric constants.</jats:p>
収録刊行物
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- Bulletin of the Chemical Society of Japan
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Bulletin of the Chemical Society of Japan 94 (7), 1833-1839, 2021-06-01
Oxford University Press (OUP)
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詳細情報 詳細情報について
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- CRID
- 1360852095376606720
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- NII論文ID
- 130008076876
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- ISSN
- 13480634
- 00092673
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