Influence of p-π conjugation inπ-πstacking molecules on passivating defects for efficient and stable perovskite solar cells  

作　　者：Changqing Liu Benlin He Fanliang Bao Qihang Cheng Zhe Yang Meng Wei Zhiwei Ma Haiyan Chen Jialong Duan Qunwei Tang 

机构地区：[1]School of Materials Science and Engineering,Ocean University of China,Qingdao 266100,Shandong,China [2]Institute of Carbon Neutrality,College of Chemical and Biological Engineering,Shandong University of Science and Technology,Qingdao 266590,Shandong,China

出　　处：《Journal of Energy Chemistry》2025年第3期282-289,共8页能源化学(英文版)

基　　金：financial supports from the Natural Science Foundation of Shandong Province(ZR2021ME037);the National Natural Science Foundation of China(52472259,22179051 and 61604143);the National Key Research and Development Program of China(2021YFE0111000);the Special Fund of Taishan Scholar Program of Shandong Province(tsqnz20221141);the Foundation of Key Laboratory of Advanced Technique&Preparation for Renewable Energy Materials,Ministry of Education,Yunnan Normal University(OF2022-02)。

摘　　要：A comprehensive understanding of the relevance between molecular structure and passivation ability to screen efficient modifiers is essential for enhancing the performance of perovskite solar cells(PSCs).Here,three similarπ-πstacking molecules namely benzophenone(BPN),diphenyl sulfone(DPS),and diphenyl sulfoxide(DPSO)are used as back-interface modifiers in carbon-based CsPbBr_(3)PSCs.After investigation,the results demonstrate the positive effect of the p-πconjugation characteristic inπ-πstacking molecules on maximizing their passivation ability.The p-πco njugation of DPSO enables a higher coordinative activity of oxygen atom in its S=O group than that in 0=S=O group of DPS and C=O group of BPN,which gives a superior passivation effect of DPSO on defects of perovskite films.The modification of DPSO also significantly improves the p-type behavior of perovskite films and the back-interfacial energetics matching,inducing an increase of hole extraction and a decrease of energy loss.Finally,the unencapsulated carbon-based CsPbBr_(3)PSCs with DPSO achieve a maximum power conversion efficiency of 10.60%and outstanding long-term stability in high-temperature,high-humidity(85℃,85%relative humidity)air environment.This work provides insights into the influence of the structure ofπ-πstacking molecules on their ability to improve the perovskite films quality and therefore the PSCs performance.

关 键 词：Carbon-based perovskite solar cells Interface modification π-πstacking p-πconjugation Defects passivation 

分 类 号：TM914.4[电气工程—电力电子与电力传动]