Regulating the Electron-Deficient Component in A-DA1D-A Typed Small-Molecule Acceptors for High-Performance Organic Solar Cells  

作　　者：Weifei Wei Ruijie Ma Zhanxiang Chen Tongle Xu Gang Li Zhenghui Luo 

机构地区：[1]Shenzhen Key Laboratory of New Information Display and Storage Materials,College of Materials Science and Engineering,Shenzhen University,Shenzhen,Guangdong,518060 China [2]Department of Electronic and Information Engineering,Research Institute for Smart Energy (RISE),The Hong Kong Polytechnic University,Hung Hom,Kowloon,Hong Kong,999077 China

出　　处：《Chinese Journal of Chemistry》2024年第6期623-630,共8页中国化学（英文版）

基　　金：supported by the Shenzhen Science and Technology Program(ZDSYS20210623091813040,RCBS20221008093225021);the National Natural Science Foundation of China(NSFC,No.22309119);G.Li acknowledges the support from Research Grants Council of Hong Kong(Project Nos.15320216,15221320,C5037-18G,RGC Senior Research Fellowship Scheme(SRFS2223-5S01));the Hong Kong Polytechnic University(Sir Sze-yuen Chung Endowed Professorship Fund(8-8480);PolyU Distinguished postdoc Fellowship(1-YW4C,R.Ma),G-SAC5)。

摘　　要：Fine-tuning of the electron-deficient unit in A-DA1D-A typed small-molecule acceptors (SMAs) plays a crucial role in developing efficient SMAs for organic solar cells (OSCs).Here,we developed a SMA based on benzo[4,5]thieno[2,3-b]quinoxaline,designated as QW1,as well as three SMAs based on 1-methylindoline-2,3-dione,identified as QW2,QW3,and QW4.Compared with QW2,QW1 displays slightly blue-shifted absorption spectra and a lower LUMO energy level due to the stronger electron-withdrawing capability of BTQx in contrast to MDO.On the other hand,the introduction of a bromine atom in QW3 and QW4 causes a blue shift in absorption and a reduction in the LUMO energy level compared to QW2.Density functional theory analysis reveals that QW1 exhibits the best molecular planarity,which endows QW1 with larger electron mobility and tighter molecular stacking.Consequently,PM6:QW1 device affords a better efficiency of 15.63% than those of the devices based on QW2 (14.25%),QW3 (13.21%) and QW4 (15.03%).Moreover,the QW4-based device yields the highest open-circuit voltage of 0.933 V,and the PM6:L8-BO:QW4 ternary device realizes a PCE of 19.03%.Overall,our work demonstrates that regulation of electron-deficient central units is an effective strategy to improve the photovoltaic performance of the resulting A-DA1D-A SMAs.

关 键 词：Organic solar cells Small-molecule acceptor Electron-deficient unit Energy conversion efficiency Renewable resources π-πstacking Green chemistry 

分 类 号：O62[理学—有机化学]