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Theoretical studies on thermally-activated delayed fluorescence and molecular design for next generation organic light-emitting diodes

Research Project

Project/Area Number 15K05607
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Research Field Organic and hybrid materials
Research InstitutionKyoto University

Principal Investigator

Sato Tohru  京都大学, 福井謙一記念研究センター, 教授 (70303865)

Co-Investigator(Renkei-kenkyūsha) KAJI Hironori  京都大学, 化学研究所, 教授 (30263148)
Project Period (FY) 2015-04-01 – 2018-03-31
Project Status Completed (Fiscal Year 2017)
Budget Amount *help
¥5,070,000 (Direct Cost: ¥3,900,000、Indirect Cost: ¥1,170,000)
Fiscal Year 2017: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2016: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2015: ¥1,950,000 (Direct Cost: ¥1,500,000、Indirect Cost: ¥450,000)
Keywords有機EL / 発光分子 / 振電相互作用 / 振電相互作用密度 / 輻射遷移 / 無輻射遷移 / 熱活性型遅延蛍光 / 内部転換 / 分子設計
Outline of Final Research Achievements

Recently, thermally-activated delayed fluorescence (TADF) has attracted much attention as an emitting mechanism of organic light-emitting diodes (OLED). However, it is difficult for the TADF to realize the deep blue emission. In this study, we proposed a novel emitting mechanism, fluorescence via higher triplets (FvHT) mechanism, and its design principles. Based on the design principles, we designed a novel molecule which consists of the non-fluorescent triphenylamine moiety and non-fluorescent substituents. We have suceeded in observing 65% of the exciton utilization ratio which exceeds the limit of fluorescent OLED, 25%.

Report

(4 results)
  • 2017 Annual Research Report   Final Research Report ( PDF )
  • 2016 Research-status Report
  • 2015 Research-status Report
  • Research Products

    (33 results)

All 2018 2017 2016 2015 2014

All Journal Article (15 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 15 results,  Open Access: 1 results,  Acknowledgement Compliant: 6 results) Presentation (17 results) (of which Int'l Joint Research: 2 results,  Invited: 6 results) Patent(Industrial Property Rights) (1 results)

  • [Journal Article] A luminescent organic radical with two pyridyl groups: high photostability and dual stimuli-responsive properties, with theoretical analyses of photophysical processes2018

    • Author(s)
      Kimura Shun、Tanushi Akira、Kusamoto Tetsuro、Kochi Shuntaro、Sato Tohru、Nishihara Hiroshi
    • Journal Title

      Chemical Science

      Volume: 9 Issue: 7 Pages: 1996-2007

    • DOI

      10.1039/c7sc04034b

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed
  • [Journal Article] Fluorescence via Reverse Intersystem Crossing from Higher Triplet States in a Bisanthracene Derivative2017

    • Author(s)
      Tohru Sato, Rika Hayashi , Naoki Haruta, Yong-Jin Pu
    • Journal Title

      Sci. Rep.

      Volume: 7 Issue: 1 Pages: 48201-9

    • DOI

      10.1038/s41598-017-05007-7

    • NAID

      120006323737

    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Synergistic luminescence enhancement of a pyridyl-substituted triarylmethyl radical based on fluorine substitution and coordination to gold2016

    • Author(s)
      Yohei Hattori, Tetsuro Kusamoto, Tohru Sato, Hiroshi Nishihara
    • Journal Title

      Chemical Communications

      Volume: 52 Issue: 91 Pages: 13393-13396

    • DOI

      10.1039/c6cc07898b

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Thermodynamical vibronic coupling constant and density: Chemical potential and vibronic coupling in reactions2016

    • Author(s)
      T. Sato, N. Haruta, K. Tanaka
    • Journal Title

      Chem. Phys. Lett.

      Volume: 652 Pages: 157-161

    • DOI

      10.1016/j.cplett.2016.04.047

    • Related Report
      2016 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Fluorescence behavior of 5,10-disubstituted [5]helicene derivatives in solution and the effect of self-assembly on their radiative and non-radiative rate constants2016

    • Author(s)
      Takashi Hirose, Natsuki Ito, Hiromu Kubo, Tohru Sato, Kenji Matsuda
    • Journal Title

      J. Mater. Chem. C

      Volume: 4 Issue: 14 Pages: 2811-2819

    • DOI

      10.1039/c5tc03675e

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Fluorescence via Reverse Intersystem Crossing from Higher Triplet States2016

    • Author(s)
      Tohru Sato
    • Journal Title

      Journal of Computer Chemistry, Japan

      Volume: 14 Issue: 6 Pages: 189-192

    • DOI

      10.2477/jccj.2015-0072

    • NAID

      130005118965

    • ISSN
      1347-1767, 1347-3824
    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Reactivity of Endohedral Metallofullerene La$_{2}$@C$_{80}$ in Nucleophilic and Electrophilic Attacks: Vibronic Coupling Density Approach2015

    • Author(s)
      Naoki Haruta Tohru Sato Kazuyoshi Tanaka
    • Journal Title

      J. Org. Chem.

      Volume: 80 Issue: 1 Pages: 141-147

    • DOI

      10.1021/jo502208t

    • Related Report
      2015 Research-status Report
    • Peer Reviewed
  • [Journal Article] Reactivity Index for Diels-Alder Cycloadditions to Large Polycyclic Aromatic Hydrocarbons Using Vibronic Coupling Density2015

    • Author(s)
      Naoki Haruta Tohru Sato Kazuyoshi Tanaka
    • Journal Title

      Tetrahedron Lett.

      Volume: 56 Issue: 4 Pages: 590-594

    • DOI

      10.1016/j.tetlet.2014.12.027

    • Related Report
      2015 Research-status Report
    • Peer Reviewed
  • [Journal Article] Strategy for Designing Electron Donors for Thermally Activated Delayed Fluorescence Emitters2015

    • Author(s)
      K. Shizu, H. Tanaka, M. Uejima, T. Sato, K. Tanaka, H. Kaji, C. Adachi
    • Journal Title

      Journal of Physical Chemistry C

      Volume: 119 Issue: 3 Pages: 1291-1297

    • DOI

      10.1021/jp511061t

    • Related Report
      2015 Research-status Report
    • Peer Reviewed
  • [Journal Article] Enhanced electroluminescence from a thermally activated delayed-fluorescence emitter by suppressing nonradiative decay2015

    • Author(s)
      Katsuyuki Shizu Motoyuki Uejima Hiroko Nakamura Tohru Sato Kazuyoshi Tanaka Hironori Kaji Chihaya Adachi
    • Journal Title

      Phys. Rev. Appl.

      Volume: 3 Issue: 1 Pages: 0140011-7

    • DOI

      10.1103/physrevapplied.3.014001

    • Related Report
      2015 Research-status Report
    • Peer Reviewed
  • [Journal Article] Highly Efficient Blue Electroluminescence Using Delayed- Fluorescence Emitters with Large Overlap Density between Luminescent and Ground States2015

    • Author(s)
      Katsuyuki Shizu, Hiroki Noda, Hiroyuki Tanaka, Masatsugu Taneda, Motoyuki Uejima, Tohru Sato, Kazuyoshi Tanaka, Hironori Kaji, Chihaya Adachi
    • Journal Title

      J. Phys. Chem. C

      Volume: 119 Issue: 47 Pages: 26283-26289

    • DOI

      10.1021/acs.jpcc.5b07798

    • Related Report
      2015 Research-status Report
    • Peer Reviewed
  • [Journal Article] Multiscale simulation of charge transport in a host material, N,N0-dicarbazole-3,5-benzene (mCP), for organic light-emitting diodes2015

    • Author(s)
      Furitsu Suzuki, Katsuyuki Shizu, Hisafumi Kawaguchi, Shinya Furukawa, Tohru Sato, Kazuyoshi Tanaka, Hironori Kaji
    • Journal Title

      J. Mater. Chem. C

      Volume: 3 Issue: 21 Pages: 5549-5555

    • DOI

      10.1039/c5tc00543d

    • Related Report
      2015 Research-status Report
    • Peer Reviewed
  • [Journal Article] Pseudo Jahn-Teller Origin of Buckling Distortions in Two-Dimensional Triazine-Based Graphitic Carbon Nitride (g-C<sub>3</sub>N<sub>4</sub>) Sheets2015

    • Author(s)
      Alexander Ivanov, Evan Miller, Alexander Boldyrev, Yuichiro Kameoka, Tohru Sato, Kazuyoshi Tanaka
    • Journal Title

      J. Phys. Chem. C

      Volume: 119 Issue: 21 Pages: 12008-12015

    • DOI

      10.1021/acs.jpcc.5b02299

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] A Light-Emitting Mechanism for Organic Light-Emitting Diodes: Molecular Design for Inverted Singlet-Triplet Structure and Symmetry-Controlled Thermally Activated Delayed Fluorescence2014

    • Author(s)
      Tohru Sato Motoyuki Uejima Kazuyoshi Tanaka Hironori Kaji Chihaya Adachi
    • Journal Title

      J. Mater. Chem. C

      Volume: 3 Issue: 4 Pages: 870-878

    • DOI

      10.1039/c4tc02320j

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Low-Lying Electronic States in Bismuth Trimer Bi3 as Revealed by Laser Induced NIR Emission Spectroscopy in Solid Ne2014

    • Author(s)
      T.Wakabayashi, Y.Wada, K.Nakajima, Y.Morisawa, S.Kuma, Y.Miyamoto, N.Sasao, M.Yoshimura, T.Sato, K.Kawaguchi
    • Journal Title

      J.Phys.Chem.A

      Volume: 119 Issue: 11 Pages: 2644-2650

    • DOI

      10.1021/jp509714f

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Presentation] 高次三重項状態からの逆系間交差を利用した 発光分子の理論設計2018

    • Author(s)
      佐藤徹
    • Organizer
      応用物理学会関西支部セミナー
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] 高次三重項状態を利用した 有機EL素子の新規発光機構2018

    • Author(s)
      佐藤徹
    • Organizer
      スーパーコンピュータワークショップ2017
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] 高次三重項状態からの逆系間交差を利用した 発光分子の理論設計2018

    • Author(s)
      佐藤徹
    • Organizer
      関西学院大学理工学部講演会・関学有機化学セミナー
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] Vibronic Coupling Density and Its Applications2017

    • Author(s)
      Tohru Sato
    • Organizer
      2nd Annual Meeting and Conference of the European Joint Doctorate in Theoretical Chemistry and Computational Modelling
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] ビスアントラセン誘導体を発光層とする有機EL素子における高次三重項経由蛍光と発光分子の設計2017

    • Author(s)
      佐藤徹
    • Organizer
      2017年光化学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] ビスアントラセン誘導体における高次三重項経由蛍光と分子設計2017

    • Author(s)
      佐藤徹
    • Organizer
      2017年分子科学討論会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 高次三重項状態からの逆系間交差を経由した蛍光を発現する発光分子の設計指針2017

    • Author(s)
      佐藤徹
    • Organizer
      2017年高分子討論会
    • Related Report
      2017 Annual Research Report
    • Invited
  • [Presentation] カルバゾール-トリアジン誘導体を発光層に用いた有機EL 素子における発光機構2017

    • Author(s)
      佐藤徹
    • Organizer
      日本コンピュータ化学会2017秋季年会
    • Related Report
      2017 Annual Research Report
  • [Presentation] DACT-II の発光機構における高次三重項状態の寄与2017

    • Author(s)
      佐藤徹
    • Organizer
      有機EL討論会第25回例会
    • Related Report
      2017 Annual Research Report
  • [Presentation] 振電相互作用制御に基づく新規EL発光機構の理論設計2016

    • Author(s)
      佐藤 徹
    • Organizer
      第10回分子科学討論会
    • Place of Presentation
      神戸ファッションマート
    • Year and Date
      2016-09-13
    • Related Report
      2016 Research-status Report
  • [Presentation] 無輻射遷移の抑制による高次三重項状態が関与する新規EL発光機構2016

    • Author(s)
      佐藤 徹
    • Organizer
      2016年光化学討論会
    • Place of Presentation
      東京大学駒場キャンパス
    • Year and Date
      2016-09-06
    • Related Report
      2016 Research-status Report
  • [Presentation] Efficient emitting molecules in organic light-emitting diodes on the basis of the control of vibronic couplings2016

    • Author(s)
      Tohru Sato
    • Organizer
      XXIII International Symposium on the Jahn-Teller Effect
    • Place of Presentation
      Dorpat Hotel Conference Center, Tartu, Estonia
    • Year and Date
      2016-08-27
    • Related Report
      2016 Research-status Report
    • Int'l Joint Research
  • [Presentation] PTZ-BZP における高次三重項状態からの逆系間交差を経由する高効率発光2016

    • Author(s)
      ○佐藤徹
    • Organizer
      日本化学会 第96春季年会
    • Place of Presentation
      同志社大学 京田辺キャンパス(京都府京田辺市)
    • Year and Date
      2016-03-24
    • Related Report
      2015 Research-status Report
  • [Presentation] 高次三重項状態の関与する発光: ビスアントラセン誘導体の高次三重項状態からの無輻射遷移の抑制2015

    • Author(s)
      林里香, ○佐藤 徹, 春田 直毅, 佐藤 啓文, 夫 勇進
    • Organizer
      有機EL討論会第21回例会
    • Place of Presentation
      九州大学 伊都キャンパス 椎木講堂(福岡県福岡市)
    • Year and Date
      2015-11-12
    • Related Report
      2015 Research-status Report
  • [Presentation] 高い三重項状態を経由する熱活性型遅延蛍光2015

    • Author(s)
      ○佐藤徹
    • Organizer
      日本コンピュータ化学会2015秋季年会
    • Place of Presentation
      函館市地域交流まちづくりセンター(北海道函館市)
    • Year and Date
      2015-10-30
    • Related Report
      2015 Research-status Report
  • [Presentation] 蛍光量子収率向上を目指した分子設計:蛍光性トリフェニルアミン誘導体2015

    • Author(s)
      ○佐藤 徹・亀岡優一郎・上辺将士・伊藤彰浩・田中一義
    • Organizer
      第26回基礎有機化学討論会
    • Place of Presentation
      愛媛大学・松山大学
    • Year and Date
      2015-09-24
    • Related Report
      2015 Research-status Report
  • [Presentation] 振電相互作用制御による発光分子の理論設計2015

    • Author(s)
      ○佐藤徹
    • Organizer
      第64回高分子討論会
    • Place of Presentation
      東北大学 川内キャンパス(宮城県仙台市)
    • Year and Date
      2015-09-15
    • Related Report
      2015 Research-status Report
    • Invited
  • [Patent(Industrial Property Rights)] 分子設計方法、プログラム、ホスト材料、発光分子および有機発光素子2017

    • Inventor(s)
      佐藤徹、上辺将士、鈴木克明、伊藤彰浩、梶弘典
    • Industrial Property Rights Holder
      京都大学
    • Industrial Property Rights Type
      特許
    • Industrial Property Number
      2017-214686
    • Filing Date
      2017
    • Related Report
      2017 Annual Research Report

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Published: 2015-04-16   Modified: 2020-03-30  

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