2022 Fiscal Year Final Research Report
Challenge aimed at the prediction of the electronic properties of organic amorphous semiconductors
| Project/Area Number |
20K21007
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| Research Category |
Grant-in-Aid for Challenging Research (Exploratory)
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| Allocation Type | Multi-year Fund |
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| Review Section |
Medium-sized Section 21:Electrical and electronic engineering and related fields
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| Research Institution | Osaka Metropolitan University (2022)
Osaka Prefecture University (2020-2021) |
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Principal Investigator |
Naito Hiroyoshi 大阪公立大学, 大学院工学研究科, 特任教授 (90172254)
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| Co-Investigator(Kenkyū-buntansha) |
麻田 俊雄 大阪公立大学, 大学院理学研究科, 教授 (10285314)
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| Project Period (FY) |
2020-07-30 – 2023-03-31
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| Keywords | アモルファス有機半導体 / インピーダンス分光法 / 電子物性評価 / 量子化学計算 / Successive Conduction法 / 電子物性予測 |
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| Outline of Final Research Achievements |
We have shown that the electronic properties (hole mobility, localized-state distribution in the forbidden gap, density of states of the valence band, and effective density of states of the valence band) can be calculated by determining the charge transfer rate and intermolecular interactions between the molecules in an aggregated amorphous structure of hole-transporting molecules prepared by molecular dynamic simulation. The calculated electronic properties are in good agreement with experimental data, and hence a method for predicting electronic properties has been established. This has opened the door to an academic field for the prediction of electronic properties of amorphous organic semiconductors.
We have also shown that a molecular design system that can automatically design new organic molecules with desired hole mobility has been developed utilizing a machine learning approach.
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| Free Research Field |
有機エレクトロニクス
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| Academic Significance and Societal Importance of the Research Achievements |
アモルファス有機半導体は、有機発光ダイオード（OLED）テレビとして実用化されているが、OLEDはIoTデバイス、バイオセンサー、低光量療法のフレキシブル光源として重要である。OLEDは、新規な高機能性を発現する化合物の合成により進展してきたが、本研究の成果により、アモルファス有機半導体における電子物性を予測することが可能になった。アモルファス有機半導体の社会実装上でもOLED等のデバイス開発速度が速くなり、しかも、低コストで行え、有機エレクトロニクス分野に大きなインパクトを与えることが期待できる。
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