Tuning the Hybridization of Local Exciton and Charge-Transfer States in Highly Efficient Organic Photovoltaic Cells

Angewandte Chemie
Ye XuJianhui Hou

Abstract

Decreasing the energy loss is one of the most feasible ways to improve the efficiencies of organic photovoltaic (OPV) cells. Recent studies have suggested that non-radiative energy loss ( E non - rad loss ) is the dominant factor that hinders further improvements in state-of-the-art OPV cells. However, there is no rational molecular design strategy for OPV materials with suppressed E non - rad loss . Herein, taking molecular surface electrostatic potential (ESP) as a quantitative parameter, we establish a general relationship between chemical structure and intermolecular interactions. The results reveal that increasing the ESP difference between donor and acceptor will enhance the intermolecular interaction. In the OPV cells, the enhanced intermolecular interaction will increase the charge-transfer (CT) state ratio in its hybridization with the local exciton state to facilitate charge generation, but simultaneously result in a larger E non - rad loss . These results suggest that finely tuning the ESP of OPV materials is a feasible method to further improve the efficiencies of OPV cells.

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Citations

Jan 26, 2021·Journal of the American Chemical Society·Tonghui Wang, Jean-Luc Brédas
Apr 3, 2021·Angewandte Chemie·Tian-Jiao WenHongzheng Chen
May 13, 2021·The Journal of Physical Chemistry Letters·Hanjian LaiFeng He
Jul 30, 2021·Physical Chemistry Chemical Physics : PCCP·Andres F Marmolejo-ValenciaCarlos Amador-Bedolla

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