Tuning Isomerism Effect in Organic Bulk Additives Enables Efficient and Stable Perovskite Solar Cells  

作　　者：Qi Zhang Qiangqiang Zhao Han Wang Yiguo Yao Lei Li Yulin Wei Ruida Xu Chenyang Zhang Erik O.Shalenov Yongguang Tu Kai Wang Mingjia Xiao 

机构地区：[1]Institute of Flexible Electronics(IFE),Northwestern Polytechnical University(NPU),Xi’an 710072,People’s Republic of China [2]School of Management,Xián Polytechnic University,Xi’an 710072,People’s Republic of China [3]The Quzhou Affiliated Hospital of Wenzhou Medical University,Quzhou People’s Hospital,Quzhou 324000,People’s Republic of China [4]Institute of Experimental and Theoretical Physics,Al-Farabi Kazakh National University,Almaty 050040,Kazakhstan

出　　处：《Nano-Micro Letters》2025年第5期193-205,共13页纳微快报(英文版)

基　　金：financially supported by the National Science Foundation of China(62474142);Natural Science Foundation of Shandong Province(No.ZR2024YQ070)。

摘　　要：Organic additives with multiple functional groups have shown great promise in improving the performance and stability of perovskite solar cells.The functional groups can passivate undercoordinated ions to reduce nonradiative recombination losses.However,how these groups synergistically affect the enhancement beyond passivation is still unclear.Specifically,isomeric molecules with different substitution patterns or molecular shapes remain elusive in designing new organic additives.Here,we report two isomeric carbazolyl bisphosphonate additives,2,7-Cz BP and 3,6-Cz BP.The isomerism effect on passivation and charge transport process was studied.The two molecules have similar passivation effects through multiple interactions,e.g.,P=O···Pb,P=O···H–N and N–H···I.2,7-CzBP can further bridge the perovskite crystallites to facilitates charge transport.Power conversion efficiencies(PCEs)of 25.88%and 21.04%were achieved for 0.09 cm^(2)devices and 14 cm^(2)modules after 2,7-Cz BP treatment,respectively.The devices exhibited enhanced operational stability maintaining 95%of initial PCE after 1000 h of continuous maximum power point tracking.This study of isomerism effect hints at the importance of tuning substitution positions and molecular shapes for organic additives,which paves the way for innovation of next-generation multifunctional aromatic additives.

关 键 词：Organic additives Molecular simulation Perovskite solar cells PASSIVATION Isomeric effect 

分 类 号：O57[理学—粒子物理与原子核物理]