摘要
小分子受体(SMAs)材料的聚集调控对有机太阳能电池(OSCs)光伏性能的影响至关重要,为了探究分子结构与分子聚集和光伏性能的关系,开发了基于大环侧基取代咔唑核的小分子受体材料CA2F-M6和不含大环侧基的对比小分子受体CA2F-BO。采用UV-Vis和循环伏安曲线测试了其光学性能和电化学性能,研究了由其组装的二元和三元OSCs的光伏性能。结果表明,大环侧基的引入有效限制了过强的分子间聚集,虽然两种小分子受体烷基数量不同,但具有相似的溶解性。与CA2F-BO溶液相比,CA2F-M6溶液的UV-Vis吸收光谱吸收峰蓝移,这是由于,大环侧基增大了分子平面的扭曲。两者具有相似的光学带隙(1.77 eV),表明在固体膜中两者的分子平面基本相同。两者具有与聚合物给体PM6匹配的最高占据分子轨道(HOMO)和最低未占分子轨道(LUMO)能级,基于PM6:CA2F-BO和PM6:CA2F-M6的二元有机太阳能电池的能量转换效率(PCE)分别为2.85%和3.93%,后者PCE的提高是由于短路电流和填充因子的显著提高。制备的基于PM6:CA2F-M6:L8-BO的三元有机太阳能电池的PCE高达17.61%。
Regulation on intermolecular aggregation of small-molecule acceptors(SMAs)are crucial for the photovoltaic performance of organic solar cells(OSCs).In order to investigate the relationships between chemical structures and molecular aggregation as well as photovoltaic performance,small-molecule acceptor CA2F-M6 based on carbazole with macrocyclic sidechain was developed,with small-molecule acceptor CA2F-BO without macrocyclic sidechain synthesized as control.The optical and electrochemical properties of the materials were analyzed using UV-Vis and cyclic voltammetry,while the photovoltaic performance of the binary and ternary OSCs assembled with these materials was studied.The results showed that the introduction of the macrocyclic side group effectively restricted the excessive intermolecular aggregation.Although the number of alkyl groups on the two small molecule acceptors was different,they showed similar solubilities.Compared with CA2F-BO solution,CA2F-M6 exhibited blue-shift absorption in solution due to the increase in the distortion of the molecular plane with the introduction of macrocyclic sidechain.CA2F-BO and CA2F-M6 had similar optical bandgap of 1.77 eV,indicating that they possess similar molecular configuration in thin films.Both materials also showed suitable highest occupied molecular orbital(HOMO)and lowest unoccupied molecular orbital(LUMO)energy levels with polymer donor PM6.As a result,OSCs based on PM6:CA2F-BO and PM6:CA2F-M6 exhibited power conversion efficiency(PCE)of 2.85%and 3.93%,and the increase in the latter PCE was attributed to the obvious improvement of short-circuit current and fill factor.Ternary OSC based on PM6:CA2F-M6:L8-BO showed a promising PCE of 17.61%.
作者
赵方渤
刘辉勇
梅婷
邬磊
曹佳民
肖曼军
ZHAO Fangbo;LIU Huiyong;MEI Ting;WU Lei;CAO Jiamin;XIAO Manjun(Key Laboratory of Theoretical Organic Chemistry and Functional Molecule of Ministry of Education,School of Chemistry and Chemical Engineering,Hunan University of Science and Technology,Xiangtan 411201,Hunan,China;Key Laboratory of Environmentally Friendly Chemistry and Application of Ministry of Education,College of Chemistry,Xiangtan University,Xiangtan 411105,Hunan,China)
出处
《精细化工》
北大核心
2026年第2期292-299,共8页
Fine Chemicals
基金
湖南省自然科学基金项目(2023JJ30223)。
关键词
有机太阳能电池
小分子受体
大环侧基
咔唑
光伏性能
功能材料
organic solar cells
small-molecule acceptors
macrocyclic sidechain
carbazole
photovoltaic properties
functional materials
