Influence of Thiophene Moiety on the Excited State Properties of Push–Pull Chromophores

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• 作者：Yang Li ; Jiangpu Hu ; Guiying He ; Huaning Zhu ; Xian Wang ; Qianjin Guo ; Andong Xia ; Yuze Lin ; Jiayu Wang ; Xiaowei Zhan
• 刊名：Journal of Physical Chemistry C
• 出版年：2016
• 出版时间：July 7, 2016
• 年：2016
• 卷：120
• 期：26
• 页码：13922-13930
• 全文大小：486K
• 年卷期：0
• ISSN：1932-7455

文摘

The magnitude of intramolecular charge-transfer (ICT) in push–pull chromophores and the fraction of delocalized excitation in multibranched chromophores and conjugated polymers play a crucial role in high photovoltaic efficiency of a solar cell. In this work, we present a joint theoretical and experimental study aimed to understand the influence of thiophene moiety on photophysical properties of push–pull chromophores for solar cell application. It is found that insertion of a thiophene moiety as the conjugated bridge enhances the magnitude of ICT in push–pull chromophores due to the inductive effect of the thiophene moiety. In addition, introduction of a thiophene moiety as the conjugated side chain significantly increases transition dipole moment of the chromophore, and as a consequence, interchromophoric coupling is enhanced, giving rise to a larger fraction of delocalized excitation within multibranched chromophores. The results presented here show that introduction of a thiophene moiety in push–pull chromophores contributes to the improvement of the photophysical properties necessary for highly efficient solar cell performance.