Confining donor conformation distributions for efficient thermally activated delayed fluorescence with fast spin-flipping

Weidong Qiu, Denghui Liu, Mengke Li (), Xinyi Cai, Zijian Chen, Yanmei He, Baoyan Liang, Xiaomei Peng, Zhenyang Qiao, Jiting Chen, Wei Li, Junrong Pu, Wentao Xie, Zhiheng Wang, Deli Li, Yiyang Gan, Yihang Jiao, Qing Gu and Shi-Jian Su ()
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Weidong Qiu: South China University of Technology
Denghui Liu: South China University of Technology
Mengke Li: South China University of Technology
Xinyi Cai: South China University of Technology
Zijian Chen: South China University of Technology
Yanmei He: South China University of Technology
Baoyan Liang: Ji Hua Laboratory
Xiaomei Peng: South China University of Technology
Zhenyang Qiao: South China University of Technology
Jiting Chen: South China University of Technology
Wei Li: South China University of Technology
Junrong Pu: South China University of Technology
Wentao Xie: South China University of Technology
Zhiheng Wang: South China University of Technology
Deli Li: South China University of Technology
Yiyang Gan: South China University of Technology
Yihang Jiao: South China University of Technology
Qing Gu: South China University of Technology
Shi-Jian Su: South China University of Technology

Nature Communications, 2023, vol. 14, issue 1, 1-12

Abstract: Abstract Fast spin-flipping is the key to exploit the triplet excitons in thermally activated delayed fluorescence based organic light-emitting diodes toward high efficiency, low efficiency roll-off and long operating lifetime. In common donor-acceptor type thermally activated delayed fluorescence molecules, the distribution of dihedral angles in the film state would have significant influence on the photo-physical properties, which are usually neglected by researches. Herein, we find that the excited state lifetimes of thermally activated delayed fluorescence emitters are subjected to conformation distributions in the host-guest system. Acridine-type flexible donors have a broad conformation distribution or bimodal distribution, in which some conformers feature large singlet-triplet energy gap, leading to long excited state lifetime. Utilization of rigid donors with steric hindrance can restrict the conformation distributions in the film to achieve degenerate singlet and triplet states, which is beneficial to efficient reverse intersystem crossing. Based on this principle, three prototype thermally activated delayed fluorescence emitters with confined conformation distributions are developed, achieving high reverse intersystem crossing rate constants greater than 106 s−1, which enable highly efficient solution-processed organic light-emitting diodes with suppressed efficiency roll-off.

Date: 2023
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DOI: 10.1038/s41467-023-38197-y

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