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Tuning the Hybridization of Local Exciton and Charge‐Transfer States in Highly Efficient Organic Photovoltaic Cells
Author(s) -
Xu Ye,
Yao Huifeng,
Ma Lijiao,
Hong Ling,
Li Jiayao,
Liao Qing,
Zu Yunfei,
Wang Jingwen,
Gao Mengyuan,
Ye Long,
Hou Jianhui
Publication year - 2020
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201915030
Subject(s) - intermolecular force , exciton , acceptor , chemical physics , photovoltaic system , organic solar cell , radiative transfer , materials science , charge (physics) , nanotechnology , chemistry , molecule , physics , organic chemistry , optics , ecology , quantum mechanics , biology , condensed matter physics
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 - radloss) 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 - radloss. 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 - radloss. These results suggest that finely tuning the ESP of OPV materials is a feasible method to further improve the efficiencies of OPV cells.