Bo Xiao1,2, Yanfang Geng1, Ailing Tang1, Xiaochen Wang1, You Chen1,2, Qingdao Zeng1, Erjun Zhou1,2,3
1CAS Key Laboratory of Nanosystem and Hierarchical Fabrication, CAS Center for Excellence in Nanoscience, National Center for Nanoscience and Technology, Beijing 100190, China
2Center of Materials Science and Optoelectronics Engineering, University of Chinese Academy of Sciences, Beijing, 100049, China
3Henan Institutes of Advanced Technology, Zhengzhou University, 97 Wenhua Road, Zhengzhou 450003, China
Tóm tắt
To achieve efficient organic solar cells (OSCs), the design of promising non‐fullerene small molecular acceptors (SMAs) is crucially important and the relationship between the chemical structure and optoelectronic properties needs to be further investigated. Herein, an A2‐A1‐D‐A1‐A2 molecular skeleton is adopted to study the effect of end‐capped A2 groups containing different numbers of cyano units, where D and A1 are fixed as indacenodithiophene (IDT) and benzotriazole (BTA) units, respectively. Utilizing the “same‐acceptor‐strategy,” three BTA‐based SMAs, named as BTA701, BTA3, and BTA703, are paired with a BTA‐based p‐type polymer J71. The open‐circuit voltage (VOC) gradually decreases with the enhancement of electron‐accepting ability of terminal A2 units, from 1.32 V (BTA701) to 1.20 V (BTA3) and to 0.85 V (BTA703). The device J71:BTA3 eventually shows the best power conversion efficiency (PCE) of 8.60% with a VOC up to 1.2 V because of the complementary light absorption, high and balanced hole and electron mobility, suitable phase separation, and crystallinity. This study indicates that appropriate cyano‐containing units in BTA‐based SMAs can effectively modulate the absorption, energy levels, charge mobility and surface free energy, which can provide valuable insights to the further design of SMAs. In addition, these results prove that the “same‐acceptor‐strategy” is simple and effective to realize a VOC as high as 1.2V.
