Enhanced intermolecular interactions to improve twisted polymer photovoltaic performance  

作　　者：Cunbin An Jingming Xin Lanlan Shi Wei Ma Jianqi Zhang Huifeng Yao Sunsun Li Jianhui Hou 

机构地区：[1]Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Polymer Physics and Chemistry, Institute of Chemistry, Chinese Academy of Sciences [2]State Key Laboratory for Mechanical Behavior of Materials, Xi'an Jiaotong University [3]Key Laboratory of Nanosystem and Hierarchical Fabrication, National Center for Nanoscience and Technology [4]University of Chinese Academy of Sciences

出　　处：《Science China Chemistry》2019年第3期370-377,共8页中国科学（化学英文版）

基　　金：supported by the National Natural Science Foundation of China (51703228, 21835006, 21504066);the Chinese Academy of Sciences (XDB12030200), and the Ministry of Science and Technology (2016YFA0200700);supported by the Director, Office of Science, Office of Basic Energy Sciences, of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231

摘　　要：In polymer solar cells(PSCs), twisted polymer donors usually have low photovoltaic efficiencies due to their poor photoactive layer morphologies. Herein, we successfully improved twisted polymer(PBDT-3T) photovoltaic efficiency by employing C=O groups(PBDT-3TCO) to enhance intermolecular interactions. The maximum power conversion efficiency(PCE) of PBDT-3T is only 1.05%, while the PCE of PBDT-3TCO reaches 11.77% in non-fullerene(NF) PSCs. Both polymers-based PSCs show very similar open-circuit voltages but remarkable differences in their short-circuit currents and fill factors. The single crystals of both functionalized terthiophenes with methyl substituents demonstrate that the terthiophene with C=O units changes molecular pattern by forming intra/inter molecular S???O and O???H interactions but its molecular planarity does not significantly improve.Our comparative studies show that PBDT-3TCO with C=O units possesses a strong aggregation property and optimal photoactive layer morphology in NF PSCs. This study provides important insight into the design of high-performance twisted polymer donors for NF PSCs.In polymer solar cells(PSCs), twisted polymer donors usually have low photovoltaic efficiencies due to their poor photoactive layer morphologies. Herein, we successfully improved twisted polymer(PBDT-3T) photovoltaic efficiency by employing C=O groups(PBDT-3TCO) to enhance intermolecular interactions. The maximum power conversion efficiency(PCE) of PBDT-3T is only 1.05%, while the PCE of PBDT-3TCO reaches 11.77% in non-fullerene(NF) PSCs. Both polymers-based PSCs show very similar open-circuit voltages but remarkable differences in their short-circuit currents and fill factors. The single crystals of both functionalized terthiophenes with methyl substituents demonstrate that the terthiophene with C=O units changes molecular pattern by forming intra/inter molecular S???O and O???H interactions but its molecular planarity does not significantly improve.Our comparative studies show that PBDT-3TCO with C=O units possesses a strong aggregation property and optimal photoactive layer morphology in NF PSCs. This study provides important insight into the design of high-performance twisted polymer donors for NF PSCs.

关 键 词：TWISTED POLYMER DONORS CARBONYL GROUP INTERMOLECULAR interaction POLYMER solar cells 

分 类 号：O6[理学—化学]