离域电子
激发态
分子
荧光
原子轨道
发光
轨道能级差
光化学
材料科学
原子物理学
分子物理学
化学
光电子学
物理
光学
电子
有机化学
量子力学
作者
Yongxiang Kang,Liyun Zhao,Jiancai Leng
标识
DOI:10.1016/j.cplett.2018.03.017
摘要
Abstract Design of red organic emitting molecules with characteristic of thermally activated delayed fluorescence (TADF) remains a great challenge. Here, electronic and optical properties of a series of multi-branched TADF molecules have been investigated based on the newly-proposed optimal Hartree–Fock percentage method. Results show that, though enlarging the delocalization of HOMO and LUMO, the emission wavelength is redshift. The designed red TADF molecule possesses smaller reorganization energy than these for reported molecules. This indicates the non-radiative energy consumption of excited state is small and effective luminescence can be expected. Thus, a promising red thermally activated delayed fluorescence molecule is proposed.
科研通智能强力驱动
Strongly Powered by AbleSci AI