High-Efficiency and Low-Energy-Loss Organic Solar Cells Enabled by Tuning Conformations of Dimeric Electron Acceptors  

作　　者：Xiaobin Gu Yanan Wei Na Yu Jiawei Qiao Ziyang Han Qijie Lin Xiao Han Jinhua Gao Congqi Li Jianqi Zhang Xiaotao Hao Zhixiang Wei Zheng Tang Yunhao Cai Xin Zhang Hui Huang 

机构地区：[1]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 [2]Center for Advanced Low-Dimension Materials,State Key Laboratory for Modification of Chemical Fibers and Polymer Materials,College of Materials Science and Engineering,Donghua University,Shanghai 201620 [3]School of Physics,State Key Laboratory of Crystal Materials,Shandong University,Jinan 250100 [4]Center for Excellence in Nanoscience(CAS),Key Laboratory of Nanosystem and Hierarchical Fabrication(CAS),National Center for Nanoscience and Technology,Beijing 100190

出　　处：《CCS Chemistry》2023年第11期2576-2588,共13页中国化学会会刊（英文）

基　　金：support from the National Nature Science Foundation of China(grant nos.51925306,52103352,52120105006);National Key R&D Program of China(grant no.2018FYA 0305800);Key Research Program of Chinese Academy of Sciences(grant no.XDPB08-2);the Strategic Priority Research Program of Chinese Academy of Sciences(grant no.XDB28000000);the Youth Innovation Promotion Association of Chinese Academy of Sciences(grant no.2022165);the Fundamental Research Funds for the Central Universities.DFT results described in this article were obtained from the National Supercomputing Center in Shenzhen(Shenzhen Cloud Computing Center).

摘　　要：Dimeric fused-ring electron acceptors(DFREAs)have attracted much attention due to the combined advantages of their monomeric and polymeric acceptors,including a well-defined molecular structure,excellent repeatability,and stable morphology.However,the additionally introduced single-bonds during dimerization may result in a twisted backbone of DFREAs,which is detrimental to intermolecular packing and charge transport.Herein,three DFREAs are designed and synthesized,in which DFREA conformations were systematically tuned via adjusting the intensities of intramolecular noncovalent interactions(INIs)to achieve high-performance organic solar cells(OSCs).Theoretical and experimental results show that the gradual introduction of S…F INIs can continuously improve molecular planarity and rigidity,resulting in reduced reorganization energies,ordered packing mode,and enhanced crystallization of DFREAs.Benefiting from the incorporation of fourfold S…F INIs,DYF-TF-based binary OSCs show a record high efficiency of 18.26%with an extremely low energy loss(0.493 eV)for DFREAbased OSCs.In addition,DYF-TF-based OSCs exhibited good long-term stability with a T_(80%)lifetime of 2681 h,and the power conversion efficiency of the DYF-TF-based ternary device is further enhanced to 18.73%.This contribution demonstrates the great potential of the INIs strategy in achieving excellent DFREAs materials.

关 键 词：organic solar cells dimeric fused-ring electron acceptors intramolecular noncovalent interactions molecular planarity and rigidity reorganization energies 

分 类 号：O62[理学—有机化学]