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Highly emissive excitons with reduced exchange energy in thermally activated delayed fluorescent molecules

Author

Listed:
  • Anton Pershin

    (University of Mons)

  • David Hall

    (University of Mons
    University of St Andrews)

  • Vincent Lemaur

    (University of Mons)

  • Juan-Carlos Sancho-Garcia

    (Universidad de Alicante)

  • Luca Muccioli

    (Università di Bologna)

  • Eli Zysman-Colman

    (University of St Andrews)

  • David Beljonne

    (University of Mons)

  • Yoann Olivier

    (University of Mons)

Abstract

Unlike conventional thermally activated delayed fluorescence chromophores, boron-centered azatriangulene-like molecules combine a small excited-state singlet-triplet energy gap with high oscillator strengths and minor reorganization energies. Here, using highly correlated quantum-chemical calculations, we report this is driven by short-range reorganization of the electron density taking place upon electronic excitation of these multi-resonant structures. Based on this finding, we design a series of π-extended boron- and nitrogen-doped nanographenes as promising candidates for efficient thermally activated delayed fluorescence emitters with concomitantly decreased singlet-triplet energy gaps, improved oscillator strengths and core rigidity compared to previously reported structures, permitting both emission color purity and tunability across the visible spectrum.

Suggested Citation

  • Anton Pershin & David Hall & Vincent Lemaur & Juan-Carlos Sancho-Garcia & Luca Muccioli & Eli Zysman-Colman & David Beljonne & Yoann Olivier, 2019. "Highly emissive excitons with reduced exchange energy in thermally activated delayed fluorescent molecules," Nature Communications, Nature, vol. 10(1), pages 1-5, December.
    • Handle: RePEc:nat:natcom:v:10:y:2019:i:1:d:10.1038_s41467-019-08495-5
    DOI: 10.1038/s41467-019-08495-5
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    Cited by:

    1. Katsuyuki Shizu & Hironori Kaji, 2024. "Quantitative prediction of rate constants and its application to organic emitters," Nature Communications, Nature, vol. 15(1), pages 1-11, December.
    2. Ying-Chun Cheng & Xun Tang & Kai Wang & Xin Xiong & Xiao-Chun Fan & Shulin Luo & Rajat Walia & Yue Xie & Tao Zhang & Dandan Zhang & Jia Yu & Xian-Kai Chen & Chihaya Adachi & Xiao-Hong Zhang, 2024. "Efficient, narrow-band, and stable electroluminescence from organoboron-nitrogen-carbonyl emitter," Nature Communications, Nature, vol. 15(1), pages 1-9, December.
    3. Alexander J. Gillett & Claire Tonnelé & Giacomo Londi & Gaetano Ricci & Manon Catherin & Darcy M. L. Unson & David Casanova & Frédéric Castet & Yoann Olivier & Weimin M. Chen & Elena Zaborova & Emrys , 2021. "Spontaneous exciton dissociation enables spin state interconversion in delayed fluorescence organic semiconductors," Nature Communications, Nature, vol. 12(1), pages 1-10, December.
    4. Junki Ochi & Yuki Yamasaki & Kojiro Tanaka & Yasuhiro Kondo & Kohei Isayama & Susumu Oda & Masakazu Kondo & Takuji Hatakeyama, 2024. "Highly efficient multi-resonance thermally activated delayed fluorescence material toward a BT.2020 deep-blue emitter," Nature Communications, Nature, vol. 15(1), pages 1-8, December.
    5. Junyuan Liu & Yunhui Zhu & Taiju Tsuboi & Chao Deng & Weiwei Lou & Dan Wang & Tiangeng Liu & Qisheng Zhang, 2022. "Toward a BT.2020 green emitter through a combined multiple resonance effect and multi-lock strategy," Nature Communications, Nature, vol. 13(1), pages 1-8, December.
    6. Jianyu Zhang & Yujie Tu & Hanchen Shen & Jacky W. Y. Lam & Jianwei Sun & Haoke Zhang & Ben Zhong Tang, 2023. "Regulating the proximity effect of heterocycle-containing AIEgens," Nature Communications, Nature, vol. 14(1), pages 1-10, December.

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