激发态
激子
单重态
分子
三苯胺
电离能
化学
材料科学
电离
化学物理
光化学
原子物理学
半导体
光电子学
物理
离子
凝聚态物理
有机化学
作者
Guanzhao Wen,Rong Hu,Xiaojun Su,Zhifeng Chen,Chengyun Zhang,Jun Peng,Xianshao Zou,Xiaochuan He,Geng Dong,Wei Zhang
标识
DOI:10.1016/j.dyepig.2021.109431
摘要
The emergence of the Y series small molecule semiconductors, Y6 and its derivatives, have significantly improved the performance of polymer solar cells (PSCs). However, the excited-state properties of these Y-series small molecule semiconductors which are highly important for designing high-performance PSCs, need to be illustrated. In this work, the excited-state properties and electronic structures of the Y-series small molecules (Y5, Y6, Y10, N3, Y6-BO-4F, and Y6-BO-4Cl) have been systematically studied by using steady-state and time-resolved spectroscopies and quantum chemical calculations. It is shown that the influence of alkyl chains at the nitrogen atom of the pyrrole ring is weak for the electron affinities, ionization potentials, electron and hole reorganization energies and singlet exciton lifetime of Y molecules. Meanwhile, these parameters are found to be varied with the types of electron-deficient termini. Moreover, we find that Y10 and Y5 have the shortest singlet exciton lifetime in solution and the longest singlet exciton lifetime in film (~1100 ps), suggesting the engineering of electron-deficient termini can significantly influence the excited-state lifetime in solution and film. Our work could provide a guideline for designing Y-series acceptor materials for high-performance polymer solar cells.
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