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A theoretical method for visualizing the origin of radiative and non-radiative decays and its application to molecular design for deep-blue electroluminescent materials

Research Project

Project/Area Number 15K17900
Research Category

Grant-in-Aid for Young Scientists (B)

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

Principal Investigator

Shizu Katsuyuki  京都大学, 化学研究所, 助教 (10621138)

Project Period (FY) 2015-04-01 – 2017-03-31
Project Status Completed (Fiscal Year 2016)
Budget Amount *help
¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000)
Fiscal Year 2016: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2015: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
Keywords有機EL / 輻射失活 / 無輻射失活 / 重なり密度 / 遷移双極子モーメント / 振電相互作用 / 熱活性化型遅延蛍光 / 相互作用密度 / Stokesシフト / Davydov分裂
Outline of Final Research Achievements

Rates of radiative decay (fluorescence, kr) and non-radiative decay (thermal deactivation, knr) of a molecule are expressed in terms of overlap density between wave functions of the ground and excited states of a molecule. For exiting fluorescent compounds, the relationship between overlap density and luminescence efficiency was investigated theoretically. From the theoretical analyses, kr was found to be largely increased by extending the distribution range of overlap density to regions distant from the coordinate origin. Using this design principle, an acceptor-donor-acceptor-type blue emitter, CzX, was developed. From transient photoluminescence measurements of a CzX-doped host matrix, CzX was found to show delayed fluorescence (DF). An organic light-emitting diode (OLED) containing CzX as an emitting dopant was fabricated. The OLED showed blue emission and the maximum external quantum efficiency (EQE) of 19.9%. The high EQE probably results from efficient DF from CzX.

Report

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

    (7 results)

All 2017 2016 2015

All Journal Article (2 results) (of which Peer Reviewed: 2 results,  Acknowledgement Compliant: 2 results) Presentation (5 results) (of which Int'l Joint Research: 3 results,  Invited: 1 results)

  • [Journal Article] Thermally Activated Delayed Fluorescence Emitter with a Symmetric Acceptor-Donor-Acceptor Structure2017

    • Author(s)
      Katsuyuki Shizu, Takuya Miwa, Yoshimasa Wada, Isamu Ogata, Hironori Kaji
    • Journal Title

      Journal of Photopolymer Science and Technology

      Volume: 30

    • NAID

      130005950319

    • Related Report
      2016 Annual Research Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Journal Article] Organic Electroluminescent Materials Realizing Efficient Conversion from Electricity to Light2016

    • Author(s)
      Katsuyuki Shizu, Hironori Kaji
    • Journal Title

      JOURNAL OF PHOTOPOLYMER SCIENCE AND TECHNOLOGY

      Volume: 29

    • NAID

      130005256531

    • Related Report
      2015 Research-status Report
    • Peer Reviewed / Acknowledgement Compliant
  • [Presentation] Density form for radiative and non-radiative transitions: applications to symmetry-enhanced delayed fluorescence from electron donor-acceptor-donor molecules2016

    • Author(s)
      Katsuyuki Shizu, Tohru Sato, Hironori Kaji
    • Organizer
      The 12th Japan-China Joint Symposium on Conduction and Photoconduction in Organic Solids and Related Phenomena
    • Place of Presentation
      早稲田大学 西早稲田キャンパス 63号館 (東京都新宿区)
    • Year and Date
      2016-10-16
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] 高効率で電気を光に変換する有機エレクトロルミネッセ ンス材料2016

    • Author(s)
      志津 功將, 梶 弘典
    • Organizer
      The 34th International Conference of Photopolymer Science and Technology
    • Place of Presentation
      幕張メッセ(千葉県千葉市美浜区)
    • Year and Date
      2016-06-22
    • Related Report
      2016 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Molecular design for highly efficient delayed fluorescence emitters by visualizing radiative and nonradiative decays2016

    • Author(s)
      Katsuyuki Shizu, Motoyuki Uejima, Tohru Sato, Kazuyoshi Tanaka, Chihaya Adachi, Hironori Kaji
    • 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] 理論化学、計算化学に基づいた有機デバイス材料開発2016

    • Author(s)
      志津 功將、鈴木 不律、安達 千波矢、梶 弘典
    • Organizer
      第63回応用物理学会春季学術講演会
    • Place of Presentation
      東京工業大学大岡山キャンパス(東京都目黒区)
    • Year and Date
      2016-03-19
    • Related Report
      2015 Research-status Report
    • Invited
  • [Presentation] Materials design based on the concept of coupling density2015

    • Author(s)
      Katsuyuki Shizu, Motoyuki Uejima, Hiroyuki Tanaka, Tohru Sato, Kazuyoshi Tanaka, Hironori Kaji, Chihaya Adachi
    • Organizer
      International Chemical Congress of Pacific Basin Societies 2015
    • Place of Presentation
      Hawaii Convention Center, Honolulu, Hawaii, USA
    • Year and Date
      2015-12-15
    • Related Report
      2015 Research-status Report
    • Int'l Joint Research

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Published: 2015-04-16   Modified: 2018-03-22  

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