Theoretical insights into luminescence mechanism of Naphthyridine-based thermally activated delayed fluorescence emitter with aggregation-induced emission

被引：6
|
作者：
Zhang, Qingqing [1 ]
Yang, Yonggang [1 ,2 ]
Liu, Yufang [1 ,2 ]
机构：
[1] Henan Normal Univ, Sch Phys, Xinxiang 453007, Henan, Peoples R China
[2] Henan Key Lab Infrared Mat & Spectrum Measures & A, Xinxiang 453007, Henan, Peoples R China
来源：
CHEMICAL PHYSICS LETTERS | 2023年 / 817卷
基金：
中国国家自然科学基金;
关键词：
Thermally activated delayed fluorescence; Aggregation -induced emission; Non -radiative energy consumption; Reverse intersystem crossing process; DENSITY-FUNCTIONAL THEORY; SINGLET; DIODES; ENERGY;
D O I：
10.1016/j.cplett.2023.140407
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The luminescent properties of Naphthyridine-based thermally activated delayed fluorescence (TADF) emitter (CZ-ND) have been studied theoretically. The smaller energy difference (0.16 eV) and larger reverse intersystem crossing (RISC) rate (1.43 x 105 s-1) in solid state are conducive to the RISC process. The enhanced spin-orbit coupling (0.233 cm-1) between S1 (1CT) and T1 (3HLCT) states in solid state promotes the ISC process. The decreased of Huang-Rhys factor and reorganization energy in solid state lead to the reduction of the non -radiative energy consumption. Furthermore, the improved fluorescence efficiency in solid state (18.9 %) further reveals the aggregation-induced emission (AIE) property.
引用
收藏
页数：7
相关论文
共 50 条
  • [1] Naphthyridine-based emitters simultaneously exhibiting thermally activated delayed fluorescence and aggregation-induced emission for highly efficient non-doped fluorescent OLEDs
    Zhou, Xue
    Yang, Hannan
    Chen, Zhanxiang
    Gong, Shaolong
    Lu, Zheng-Hong
    Yang, Chuluo
    JOURNAL OF MATERIALS CHEMISTRY C, 2019, 7 (22) : 6607 - 6615
  • [2] Theoretical study on the light-emitting mechanism of circularly polarized luminescence molecules with both thermally activated delayed fluorescence and aggregation-induced emission
    Yin, Xiu
    Fan, Jian-Zhong
    Liu, Jie
    Cai, Lei
    Sun, Hao
    Sun, Yu-Ping
    Wang, Chuan-Kui
    Lin, Li-Li
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 21 (14) : 7288 - 7297
  • [3] Solid-state effect on the luminescence mechanism of thermally activated delayed fluorescence with aggregation induced emission: A theoretical perspective
    Yu, Ziyue
    Sun, Yuping
    Chen, Jiahui
    Wei, Shuli
    Chang, Qiang
    Zhang, Tian
    Zhou, Aiping
    COMPUTATIONAL AND THEORETICAL CHEMISTRY, 2024, 1232
  • [4] Theoretical insights on the luminescent mechanism of an efficient aggregation-induced nondoped delayed fluorescence emitter usingQM/MMmethod
    Sun, Hao
    Yin, Xiu
    Liu, Zhi-Peng
    Wei, Shu-Li
    Fan, Jian-Zhong
    Lin, Li-Li
    Sun, Yu-Ping
    INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 2021, 121 (05)
  • [5] Theoretical study of the thermally activated delayed fluorescence (TADF) combined with aggregation-induced emission (AIE) molecular solid-state effect on the luminescence mechanism
    Liang, Yue
    Xu, Mengyao
    Chi, Yanwei
    Liang, Tingdong
    Jiang, Xinnan
    Wang, Jiao
    Pan, Yuyu
    Yang, Bing
    CHEMICAL PHYSICS LETTERS, 2023, 811
  • [6] Synthesis, photoluminescence and electroluminescence properties of a new blue emitter with aggregation-induced emission and thermally activated delayed fluorescence characteristics
    Dong, Xiaorui
    Li, Ronghua
    Zheng, Yanan
    Huo, Jinnan
    Cao, Yinpeng
    Shi, Heping
    SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2023, 291
  • [7] Naphthyridine-based thermally activated delayed fluorescence emitters for highly efficient blue OLEDs
    Shen, Yi-Fan
    Zhao, Wen-Long
    Lu, Hai-Yan
    Wang, Yin-Feng
    Zhang, Da-Wei
    Li, Meng
    Chen, Chuan-Feng
    DYES AND PIGMENTS, 2020, 178
  • [8] Aggregation-induced emission and thermally activated delayed fluorescence of 2,6-diaminobenzophenones
    Masaki Shimizu
    Masaki Nakatani
    Kenta Nishimura
    Science China(Chemistry) , 2018, (08) : 925 - 931
  • [9] Aggregation-induced emission and thermally activated delayed fluorescence of 2,6-diaminobenzophenones
    Shimizu, Masaki
    Nakatani, Masaki
    Nishimura, Kenta
    SCIENCE CHINA-CHEMISTRY, 2018, 61 (08) : 925 - 931
  • [10] Aggregation-induced emission and thermally activated delayed fluorescence of 2,6-diaminobenzophenones
    Masaki Shimizu
    Masaki Nakatani
    Kenta Nishimura
    Science China Chemistry, 2018, 61 : 925 - 931
12345