O, S, and N Bridged Atoms Screening on 2D Conjugated Central Units of High‐Performance Acceptors
Abstract
Abstract Almost all of central cores in high‐performance acceptors are limited to the electron‐withdrawing diimide structure currently, which constrains further acceptor structural innovation greatly. Herein, oxygen (O), sulfur (S), and nitrogen (N) atoms are adopted to bridge the 2D conjugated central cores, yielding three acceptor platforms of CH─O, CH─S, and CH─N that differ in structure by only two atoms. Because of the characteristic atomic outer electron configuration and hybrid orbital orientation, O‐, S‐, and N‐bridged central cores display quite different conformations and electronic properties, namely, dibenzodioxin (planar, non‐aromatic), thianthrene (puckered, non‐aromatic) and phenazine (planar, aromatic), respectively. A systematic investigation discloses how the central core, especially its p‐π orbital overlap between lone pair on O/S/N and coterminous benzene planes, affect the intrinsic photoelectronic properties of acceptors for the first time. Finally, CH─N‐based binary device affords the highest fill factor of 83.13% in organic photovoltaics along with a first‐class efficiency of 20.23%. By evaluating the strictly controlled O‐, S‐, and N‐bridged molecular platforms comprehensively, the work reveals the potential uniqueness of diimide in determining the excellent photovoltaic outcomes of acceptors.
Article Details
Authors (11)
Xiangjian Cao
State Key Laboratory and Institute of Elemento‐Organic Chemistry The Centre of Nanoscale Science and Technology and Key Laboratory of Functional Polymer Materials Renewable Energy Conversion and Storage Center (RECAST) College of Chemistry Nankai University Tianjin 300071 China
Zheng Xu
Ruohan Wang
State Key Laboratory and Institute of Elemento-Organic Chemistry, The Centre of Nanoscale Science and Technology and Key Laboratory of Functional Polymer Materials, Renewable Energy Conversion and Storage Center (RECAST), Frontiers Science Center for New Organic Matter, College of Chemistry
Jiaxin Guo
Wenkai Zhao
Frontiers Science Center for New Organic Matter, Tianjin Key Lab for Rare Earth Materials and Applications, Renewable Energy Conversion and Storage Center (RECAST), School of Materials Science and Engineering, National Institute for Advanced Materials
Yu Zhang
Xiangya Hospital, Central South University Changsha China
Zhaoyang Yao
State Key Laboratory and Institute of Elemento-Organic Chemistry, The Centre of Nanoscale Science and Technology and Key Laboratory of Functional Polymer Materials, Renewable Energy Conversion and Storage Center (RECAST), Frontiers Science Center for New Organic Matter, College of Chemistry
Yaxiao Guo
State Key Laboratory of Advanced Separation Membrane Materials School of Chemistry Tiangong University Tianjin China
Guankui Long
Frontiers Science Center for New Organic Matter, Tianjin Key Lab for Rare Earth Materials and Applications, Renewable Energy Conversion and Storage Center (RECAST), School of Materials Science and Engineering, National Institute for Advanced Materials
Xiangjian Wan
State Key Laboratory and Institute of Elemento-Organic Chemistry, The Centre of Nanoscale Science and Technology and Key Laboratory of Functional Polymer Materials, Renewable Energy Conversion and Storage Center (RECAST), Frontiers Science Center for New Organic Matter, College of Chemistry
Yongsheng Chen
Department of Neurosurgery The Tenth Affiliated Hospital Southern Medical University Dongguan China