Precisely Regulating Intermolecular Interactions and Molecular Packing of Nonfused-Ring Electron Acceptors via Halogen Transposition for High-Performance Organic Solar Cells

Xiaobin Gu, Rui Zeng, Yuqi Hou, Na Yu, Jiawei Qiao, Hongxiang Li, Yanan Wei, Tengfei He, Jinge Zhu, Jiawei Deng, Senke Tan, Cai'e Zhang, Yunhao Cai, Guankui Long, Xiaotao Hao, Zhen Tang, Feng Liu, Xin Zhang and Hui Huang

Angewandte Chemie 202407355 (2024)
The structure of molecular aggregates is crucial for charge transport and photovoltaic performance in organic solar cells (OSCs). Herein, the intermolecular interactions and aggregated structures of nonfused-ring electron acceptors (NFREAs) are precisely regulated through a halogen transposition strategy, resulting in a noteworthy transformation from a 2D-layered structure to a 3D-interconnected packing network. Based on the 3D electron transport pathway, the binary and ternary devices deliver outstanding power conversion efficiencies (PCEs) of 17.46% and 18.24%, respectively, marking the highest value for NFREA-based OSCs.