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A Mixed-Ligand Strategy to Modulate P3HT Regioregularity for High-Efficiency Solar Cells

Yang LiuSchool of Materials Science and Engineering, Tianjin Key Laboratory of Molecular Optoelectronic Sciences, Tianjin University, Tianjin 300350, ChinaKaihu XianSchool of Materials Science and Engineering, Tianjin Key Laboratory of Molecular Optoelectronic Sciences, Tianjin University, Tianjin 300350, ChinaXuwen ZhangSchool of Materials Science and Engineering, Tianjin Key Laboratory of Molecular Optoelectronic Sciences, Tianjin University, Tianjin 300350, ChinaMengyuan GaoSchool of Materials Science and Engineering, Tianjin Key Laboratory of Molecular Optoelectronic Sciences, Tianjin University, Tianjin 300350, ChinaYibo ShiSchool of Materials Science and Engineering, Tianjin Key Laboratory of Molecular Optoelectronic Sciences, Tianjin University, Tianjin 300350, ChinaKangkang ZhouSchool of Materials Science and Engineering, Tianjin Key Laboratory of Molecular Optoelectronic Sciences, Tianjin University, Tianjin 300350, ChinaYunfeng DengSchool of Materials Science and Engineering, Tianjin Key Laboratory of Molecular Optoelectronic Sciences, Tianjin University, Tianjin 300350, ChinaJianhui HouBeijing National Laboratory for Molecular Sciences, State Key Laboratory of Polymer Physics and Chemistry, CAS Research/Education Center for Excellence in Molecular Sciences, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, ChinaYanhou GengJoint School of National University of Singapore and Tianjin University, International Campus of Tianjin University, Binhai New City, Fuzhou 350207, ChinaLong YeSchool of Materials Science and Engineering, Tianjin Key Laboratory of Molecular Optoelectronic Sciences, Tianjin University, Tianjin 300350, China
2022en
ABI

Аннотация

Sustainable synthesis of polythiophenes (e.g., P3HT) is highly desired for the development of low-cost organic solar cells. Regulating the regioregularity of P3HT is a promising way to boost its performance. Yet, few eco-friendly methods can prepare P3HT with tunable regioregularity. Herein, we put forward a facile strategy to finely modulate the regioregularity of P3HT from 90% to 98% by tuning the molar ratio of two ligands in direct arylation polycondensation. Moreover, the ligand effect on regioregularity is well elucidated with DFT calculations, and the regioregularity effect of P3HT in non-fullerene solar cells is clarified for the first time. Our calorimetric, microscopic, and scattering results show that regioregularity strongly impacts the polymer crystallinity and phase separation, and device performance of the blend films. The P3HT batch with a regioregularity of 95% yields an unprecedented power conversion efficiency of 10.82%. Importantly, this realization firmly provides optimism for cheap materials such as polythiophenes, which are made via eco-friendly polycondensation for the application of solar cells and beyond.

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