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Solid-state Effects on Luminescence Properties of TADF Emitters Based on Pyrido[2,3-b]pyrazine-Dihydrophenazasilines Donor-acceptor Structures: Theoretical Study
Theoretical Calculation and Spectral Analysis | 更新时间:2025-02-25
    • Solid-state Effects on Luminescence Properties of TADF Emitters Based on Pyrido[2,3-b]pyrazine-Dihydrophenazasilines Donor-acceptor Structures: Theoretical Study

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    • 报道TADF分子在OLED领域应用潜力巨大。本研究通过热振动相关函数方法结合多尺度计算,预测了三种扭曲TADF分子的光物理性质,发现其均具有快速的RISC速率,预测其TADF发光性能。研究还发现,DHPAzSi作为给体单元与不同受体结合可以改变基态和激发态之间的二面角,受体的平面性与非辐射过程影响较大的重排能正相关。此外,在薄膜中观察到分子电荷转移态能量降低和RISC速率增加。这项研究不仅为实验结果提供了可靠解释,还为未来TADF分子设计提供了宝贵指导。
    • Chinese Journal of Luminescence   Vol. 46, Issue 2, Pages: 354-365(2025)
    • DOI:10.37188/CJL.20240257    

      CLC: O482.31
    • CSTR:32170. 14. CJL. 20240257    
    • Received:14 October 2024

      Revised:22 October 2024

      Published:25 February 2025

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  • LI Yuheng,LIU Meiqi,HOU Baoming,et al.Solid-state Effects on Luminescence Properties of TADF Emitters Based on Pyrido[2,3-b]pyrazine-Dihydrophenazasilines Donor-acceptor Structures: Theoretical Study[J].Chinese Journal of Luminescence,2025,46(02):354-365. DOI: 10.37188/CJL.20240257. CSTR: 32170. 14. CJL. 20240257.

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LI Yuheng
LIU Meiqi
HOU Baoming
PAN Yuyu
YANG Bing

Related Institution

aSchool of Petrochemical Engineering, Shenyang University of Technology, 30 Guanghua Street
bState Key Laboratory of Supramolecular Structure and Materials, Jilin University
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