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Structural analysis of organic device materials by DNP-NMR

Research Project

Project/Area Number 19K15648
Research Category

Grant-in-Aid for Early-Career Scientists

Allocation TypeMulti-year Fund
Review Section Basic Section 35030:Organic functional materials-related
Research InstitutionKyoto University

Principal Investigator

Suzuki Katsuaki  京都大学, 化学研究所, 助教 (90747859)

Project Period (FY) 2019-04-01 – 2022-03-31
Project Status Completed (Fiscal Year 2021)
Budget Amount *help
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2021: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2020: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2019: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Keywords有機EL / 固体NMR / 動的核偏極 / 非晶 / DNP-NMR / 有機半導体 / 動的核偏極NMR / 有機デバイス / 動的核編極
Outline of Research at the Start

本研究では、非晶質材料の局所構造解析に非常に有用な手法である固体NMR、及びその高感度測定法である固体DNP-NMRを用い、これまで未解明であった、有機非晶膜における分子のコンフォメーション、分子間距離、πスタッキング構造などの非晶構造体に内在する局所構造を分子レベルで明らかにし、非晶構造と有機デバイス特性との相関解明を通じて、さらなる高特性材料開発の設計指針を得るとともに、有機デバイスの基礎科学の構築を進める。

Outline of Final Research Achievements

In this study, the torsion angle of the thermally active delayed fluorescent (TADF) material was evaluated by combining dynamic nuclear polarization NMR (DNP-NMR) and quantum chemical calculations. Specifically, by using DNP-NMR, a significant improvement in the sensitivity of the 15N NMR spectrum could be achieved, and a signal with good S / N was obtained in a short time. Based on the results, we succeeded in evaluating the donor and acceptor torsion angle of a TADF emitter. We have also worked on optimizing the measurement conditions of DNP-NMR under static conditions, and have obtained the best sensitivity improvement per unit time when a biradical sensitizer is used. It has become possible to analyze the orientation distribution of the film thickness of about 200 nm actually used in the device. In addition, we were able to develop research on light-irradiated DNP-NMR and conformation analysis including distribution.

Academic Significance and Societal Importance of the Research Achievements

本研究成果はこれまで、不可能であった、非晶膜中における有機EL発光材料のコンフォメーション解析を初めて行った例である。この成果を他の材料へさらに適用することにより、有機EL発光材料の構造ー物性相関の解明につながり、より高効率な材料の開発につながっていくと期待される。

Report

(4 results)
  • 2021 Annual Research Report   Final Research Report ( PDF )
  • 2020 Research-status Report
  • 2019 Research-status Report
  • Research Products

    (16 results)

All 2022 2021 2020 2019

All Journal Article (9 results) (of which Int'l Joint Research: 6 results,  Peer Reviewed: 9 results,  Open Access: 5 results) Presentation (7 results) (of which Int'l Joint Research: 3 results,  Invited: 3 results)

  • [Journal Article] Highly Efficient and Stable Blue Organic Light‐Emitting Diodes based on Thermally Activated Delayed Fluorophor with Donor‐Void‐Acceptor Motif2022

    • Author(s)
      Zhang Dongdong、Wada Yoshimasa、Wang Qi、Dai Hengyi、Fan Tianjiao、Meng Guoyun、Wei Jinbei、Zhang Yuewei、Suzuki Katsuaki、Li Guomeng、Duan Lian、Kaji Hironori
    • Journal Title

      Advanced Science

      Volume: 9 Issue: 12 Pages: 2106018-2106018

    • DOI

      10.1002/advs.202106018

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Truxenone Triimide: Two‐Dimensional Molecular Arrangements of Triangular Molecules for Air Stable n‐Type Semiconductors2022

    • Author(s)
      Kumar Sharvan、Koo Yun Hee、Higashino Tomohiro、Matsuda Wakana、Ghosh Samrat、Tsutsui Yusuke、Suda Masayuki、Imahori Hiroshi、Suzuki Katsuaki、Kaji Hironori、Seki Shu
    • Journal Title

      Advanced Electronic Materials

      Volume: - Issue: 7 Pages: 2101390-2101390

    • DOI

      10.1002/aelm.202101390

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Band-like Transport of Charge Carriers in Oriented Two-Dimensional Conjugated Covalent Organic Frameworks2022

    • Author(s)
      Ghosh Samrat、Tsutsui Yusuke、Kawaguchi Takahiro、Matsuda Wakana、Nagano Shusaku、Suzuki Katsuaki、Kaji Hironori、Seki Shu
    • Journal Title

      Chemistry of Materials

      Volume: 34 Issue: 2 Pages: 736-745

    • DOI

      10.1021/acs.chemmater.1c03533

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Journal Article] Effect of a twin-emitter design strategy on a previously reported thermally activated delayed fluorescence organic light-emitting diode2021

    • Author(s)
      Crovini Ettore、Zhang Zhen、Kusakabe Yu、Ren Yongxia、Wada Yoshimasa、Naqvi Bilal A、Sahay Prakhar、Matulaitis Tomas、Diesing Stefan、Samuel Ifor D W、Br?tting Wolfgang、Suzuki Katsuaki、Kaji Hironori、Br?se Stefan、Zysman-Colman Eli
    • Journal Title

      Beilstein Journal of Organic Chemistry

      Volume: 17 Pages: 2894-2905

    • DOI

      10.3762/bjoc.17.197

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] <i>N</i>-Adamantylphthalimide-based Thermally Activated Delayed Fluorescence Emitter for Solution-processed Organic Light-emitting Diodes2021

    • Author(s)
      Shibano Masaya、Suzuki Katsuaki、Kaji Hironori、Takano Toshiyuki
    • Journal Title

      Chemistry Letters

      Volume: 50 Issue: 12 Pages: 1953-1955

    • DOI

      10.1246/cl.210446

    • NAID

      130008131975

    • Related Report
      2021 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Exploring the capability of mayenite (12CaO・7Al2O3) as hydrogen storage material2021

    • Author(s)
      Visbal Heidy、Omura Takuya、Nagashima Kohji、Itoh Takanori、Ohwaki Tsukuru、Imai Hideto、Ishigaki Toru、Maeno Ayaka、Suzuki Katsuaki、Kaji Hironori、Hirao Kazuyuki
    • Journal Title

      Scientific Reports

      Volume: 11 Issue: 1 Pages: 6278-6278

    • DOI

      10.1038/s41598-021-85540-8

    • Related Report
      2020 Research-status Report
    • Peer Reviewed / Open Access
  • [Journal Article] Identification of Prime Factors to Maximize the Photocatalytic Hydrogen Evolution of Covalent Organic Frameworks2020

    • Author(s)
      Ghosh, S., Nakada, A., Springer, M.A., Kawaguchi, T., Suzuki, K., Kaji, H., Baburin, I., Kuc, A., Heine, T., Suzuki, H., Abe, R. and Seki, S.
    • Journal Title

      J. Am. Chem. Soc.

      Volume: - Pages: 9752-9762

    • DOI

      10.1021/jacs.0c02633

    • Related Report
      2020 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Thermally Activated Delayed Fluorescence Benzyl Cellulose Derivatives for Nondoped Organic Light-Emitting Diodes2020

    • Author(s)
      Shibano, M., Ochiai, H., Suzuki, K., Kamitakahara, H., Kaji, H. and Takano, T
    • Journal Title

      Macromolecules

      Volume: - Issue: 8 Pages: 2864-2873

    • DOI

      10.1021/acs.macromol.9b02644

    • Related Report
      2020 Research-status Report
    • Peer Reviewed
  • [Journal Article] Impact of the position of the imine linker on the optoelectronic performance of マ?-conjugated organic frameworks2019

    • Author(s)
      S. Ghosh, Y. Tsutsui, K. Suzuki, H. Kaji, K. Honjo, T. Uemura, and S. Seki
    • Journal Title

      Mol. Syst. Des. Eng.

      Volume: 4(2) Issue: 2 Pages: 325-331

    • DOI

      10.1039/c8me00079d

    • Related Report
      2019 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research
  • [Presentation] A Molecular Design Achieving Very Fast Reverse Intersystem Crossing2021

    • Author(s)
      Yongxia Ren, Yoshimasa Wada, Katsuaki Suzuki, Yu Kusakabe, Jan Geldsetzer, Hironori Kaji
    • Organizer
      The 13th Asian Conference on Organic Electronics (A-COE2021)
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 固体 NMR を用いた有機半導体材料の分子配向解析2021

    • Author(s)
      鈴木 克明, 梶 弘典
    • Organizer
      2021年光化学討論会
    • Related Report
      2021 Annual Research Report
    • Invited
  • [Presentation] Solid-state NMR analysis of materials in organic semiconductors2021

    • Author(s)
      katsuaki Suzuki, Hironori kaji
    • Organizer
      The 11th International Conference on Flexible and Printed Electronics (ICFPE 2021)
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Thioxanthone-based efficient blue thermally activated delayed fluorescence emitter showing very fast reverse intersystem crossing2021

    • Author(s)
      Yongxia Ren, Yoshimasa Wada, Katsuaki Suzuki, Yu Kusakabe, Jan Geldsetzer, Hironori Kaji
    • Organizer
      「有機EL討論会」第33回例会・15周年記念公開シンポジウム
    • Related Report
      2021 Annual Research Report
  • [Presentation] Achieving very fast reverse intersystem crossing by heavy atom effect2021

    • Author(s)
      Yongxia Ren, Yoshimasa Wada, Katsuaki Suzuki, Yu Kusakabe, Jan Geldsetzer,Hironori Kaji
    • Organizer
      The 6th International TADF Workshop
    • Related Report
      2021 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 熱活性化遅延蛍光材料を用いた発光電気化学セルの電荷状態のオペランドESR分光研究2020

    • Author(s)
      〇河村 佳歩、祐本 晋太郎、勝俣 潤哉、和田 啓幹、鈴木 克明、梶 弘典、丸本 一弘
    • Organizer
      第67回応用物理学会春季学術講演会
    • Related Report
      2019 Research-status Report
  • [Presentation] 各種機能性材料への DNP-NMRの適用2019

    • Author(s)
      鈴木 克明、梶 弘典
    • Organizer
      NMR共用プラットフォームシンポジウム2019
    • Related Report
      2019 Research-status Report
    • Invited

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Published: 2019-04-18   Modified: 2023-01-30  

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