Design rules for minimizing voltage losses in high-efficiency organic solar cells

Deping Qian, Zilong Zheng, Huifeng Yao, Wolfgang Tress, Thomas R. Hopper, Shula Chen, Sunsun Li, Jing Liu, Shangshang Chen, Jiangbin Zhang, Xiao-Ke Liu, Bowei Gao, Liangqi Ouyang, Yingzhi Jin, Galia Pozina, Irina A. Buyanova, Weimin M. Chen, Olle Inganäs, Veaceslav Coropceanu, Jean-Luc Bredas, He Yan, Jianhui Hou, Fengling Zhang, Artem A. Bakulin, Feng Gao

The open-circuit voltage of organic solar cells is usually lower than the values achieved in inorganic or perovskite photovoltaic devices with comparable bandgaps. Energy losses during charge separation at the donor-acceptor interface and non-radiative recombination are among the main causes of such voltage losses. Here we combine spectroscopic and quantum-chemistry approaches to identify key rules for minimizing voltage losses: (1) a low energy offset between donor and acceptor molecular states and (2) high photoluminescence yield of the low-gap material in the blend. Following these rules, we present a range of existing and new donor-acceptor systems that combine efficient photocurrent generation with electroluminescence yield up to 0.03%, leading to non-radiative voltage losses as small as 0.21 V. This study provides a rationale to explain and further improve the performance of recently demonstrated high-open-circuit-voltage organic solar cells.