Banana‐shaped electron acceptors with an electron‐rich core fragment and 3D packing capability
Pengqi Li,
Xianyi Meng,
Ke Jin,
Zhiwei Xu,
Jianqi Zhang,
Lixiu Zhang,
Chuang Niu,
Furui Tan,
Chenyi Yi,
Zuo Xiao,
Yaqing Feng,
Guan‐Wu Wang,
Liming Ding
Affiliations
Pengqi Li
School of Chemical Engineering and Technology Tianjin University Tianjin China
Xianyi Meng
Key Laboratory of Nanosystem and Hierarchical Fabrication (CAS) Center for Excellence in Nanoscience, National Center for Nanoscience and Technology Beijing China
Ke Jin
Key Laboratory of Nanosystem and Hierarchical Fabrication (CAS) Center for Excellence in Nanoscience, National Center for Nanoscience and Technology Beijing China
Zhiwei Xu
Key Laboratory of Nanosystem and Hierarchical Fabrication (CAS) Center for Excellence in Nanoscience, National Center for Nanoscience and Technology Beijing China
Jianqi Zhang
Key Laboratory of Nanosystem and Hierarchical Fabrication (CAS) Center for Excellence in Nanoscience, National Center for Nanoscience and Technology Beijing China
Lixiu Zhang
Key Laboratory of Nanosystem and Hierarchical Fabrication (CAS) Center for Excellence in Nanoscience, National Center for Nanoscience and Technology Beijing China
Chuang Niu
Department of Chemistry University of Science and Technology of China Hefei China
Furui Tan
Key Laboratory of Photovoltaic Materials Henan University Kaifeng China
Chenyi Yi
Department of Electrical Engineering Tsinghua University Beijing China
Zuo Xiao
Key Laboratory of Nanosystem and Hierarchical Fabrication (CAS) Center for Excellence in Nanoscience, National Center for Nanoscience and Technology Beijing China
Yaqing Feng
School of Chemical Engineering and Technology Tianjin University Tianjin China
Guan‐Wu Wang
Department of Chemistry University of Science and Technology of China Hefei China
Liming Ding
Key Laboratory of Nanosystem and Hierarchical Fabrication (CAS) Center for Excellence in Nanoscience, National Center for Nanoscience and Technology Beijing China
Abstract The emergence of Y6‐type nonfullerene acceptors has greatly enhanced the power conversion efficiency (PCE) of organic solar cells (OSCs). However, which structural feature is responsible for the excellent photovoltaic performance is still under debate. In this study, two Y6‐like acceptors BDOTP‐1 and BDOTP‐2 were designed. Different from previous Y6‐type acceptors featuring an A–D–Aʹ–D–A structure, BDOTP‐1, and BDOTP‐2 have no electron‐deficient Aʹ fragment in the core unit. Instead, there is an electron‐rich dibenzodioxine fragment in the core. Although this modification leads to a marked change in the molecular dipole moment, electrostatic potential, frontier orbitals, and energy levels, BDOTP acceptors retain similar three‐dimensional packing capability as Y6‐type acceptors due to the similar banana‐shaped molecular configuration. BDOTP acceptors show good performance in OSCs. High PCEs of up to 18.51% (certified 17.9%) are achieved. This study suggests that the banana‐shaped configuration instead of the A–D–Aʹ–D–A structure is likely to be the determining factor in realizing high photovoltaic performance.
