Side‐Chain Engineering for Enhancing the Molecular Rigidity and Photovoltaic Performance of Noncovalently Fused‐Ring Electron Acceptors

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  • Xin Zhang
    College of Materials Science and Opto-Electronic Technology &, Center of Materials Science and Optoelectronics Engineering &, CAS Center for Excellence in Topological Quantum Computation &, CAS Key Laboratory of Vacuum Physics University of Chinese Academy of Sciences Beijing 100049 China
  • Congqi Li
    College of Materials Science and Opto-Electronic Technology &, Center of Materials Science and Optoelectronics Engineering &, CAS Center for Excellence in Topological Quantum Computation &, CAS Key Laboratory of Vacuum Physics University of Chinese Academy of Sciences Beijing 100049 China
  • Linqing Qin
    College of Materials Science and Opto-Electronic Technology &, Center of Materials Science and Optoelectronics Engineering &, CAS Center for Excellence in Topological Quantum Computation &, CAS Key Laboratory of Vacuum Physics University of Chinese Academy of Sciences Beijing 100049 China
  • Hao Chen
    College of Materials Science and Opto-Electronic Technology &, Center of Materials Science and Optoelectronics Engineering &, CAS Center for Excellence in Topological Quantum Computation &, CAS Key Laboratory of Vacuum Physics University of Chinese Academy of Sciences Beijing 100049 China
  • Jianwei Yu
    Department of Physics, Chemistry and Biology (IFM) Linköping University Linköping 58183 Sweden
  • Yanan Wei
    College of Materials Science and Opto-Electronic Technology &, Center of Materials Science and Optoelectronics Engineering &, CAS Center for Excellence in Topological Quantum Computation &, CAS Key Laboratory of Vacuum Physics University of Chinese Academy of Sciences Beijing 100049 China
  • Xingzheng Liu
    College of Materials Science and Opto-Electronic Technology &, Center of Materials Science and Optoelectronics Engineering &, CAS Center for Excellence in Topological Quantum Computation &, CAS Key Laboratory of Vacuum Physics University of Chinese Academy of Sciences Beijing 100049 China
  • Jianqi Zhang
    Center for Excellence in Nanoscience (CAS) & Key Laboratory of Nanosystem and Hierarchical Fabrication (CAS) National Center for Nanoscience and Technology Beijing 100190 China
  • Zhixiang Wei
    Center for Excellence in Nanoscience (CAS) & Key Laboratory of Nanosystem and Hierarchical Fabrication (CAS) National Center for Nanoscience and Technology Beijing 100190 China
  • Feng Gao
    Department of Physics, Chemistry and Biology (IFM) Linköping University Linköping 58183 Sweden
  • Qian Peng
    School of Chemical Sciences University of Chinese Academy of Sciences Beijing 100049 China
  • Hui Huang
    College of Materials Science and Opto-Electronic Technology &, Center of Materials Science and Optoelectronics Engineering &, CAS Center for Excellence in Topological Quantum Computation &, CAS Key Laboratory of Vacuum Physics University of Chinese Academy of Sciences Beijing 100049 China

抄録

<jats:title>Abstract</jats:title><jats:p>Side‐chain engineering is an effective strategy to regulate the solubility and packing behavior of organic materials. Recently, a unique strategy, so‐called terminal side‐chain (T‐SC) engineering, has attracted much attention in the field of organic solar cells (OSCs), but there is a lack of deep understanding of the mechanism. Herein, a new noncovalently fused‐ring electron acceptor (NFREA) containing two T‐SCs (<jats:bold>NoCA‐5</jats:bold>) was designed and synthesized. Introduction of T‐SCs can enhance molecular rigidity and intermolecular π–π stacking, which is confirmed by the smaller Stokes shift value, lower reorganization free energy, and shorter π–π stacking distance in comparison to <jats:bold>NoCA‐1</jats:bold>. Hence, the <jats:bold>NoCA‐5</jats:bold>‐based device exhibits a record power conversion efficiency (PCE) of 14.82 % in labs and a certified PCE of 14.5 %, resulting from a high electron mobility, a short charge‐extraction time, a small Urbach energy (<jats:italic>E</jats:italic><jats:sub>u</jats:sub>), and a favorable phase separation.</jats:p>

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