面向高效稳定钙钛矿太阳能电池埋底界面的推-拉型富勒烯二聚体设计  

Push-pull substituent design of fullerene dimer at the buried interface toward stable and efficient perovskite solar cells

作　　者：王卉 郭传航 李法宝 曾帅 李向阳 付华宇 王涛 刘丹 Hui Wang;Chuanhang Guo;Fabao Li;Shuai Zeng;Xiangyang Li;Huayu Fu;Tao Wang;Dan Liu(School of Materials Science and Engineering,Wuhan University of Technology,Wuhan 430070,China;School of Materials and Microelectronics,Wuhan University of Technology,Wuhan 430070,China;Ministry of Education Key Laboratory for the Synthesis and Application of Organic Functional Molecules,Hubei University,Wuhan 430062,China)

机构地区：[1]School of Materials Science and Engineering,Wuhan University of Technology,Wuhan 430070,China [2]School of Materials and Microelectronics,Wuhan University of Technology,Wuhan 430070,China [3]Ministry of Education Key Laboratory for the Synthesis and Application of Organic Functional Molecules,Hubei University,Wuhan 430062,China

出　　处：《Science China Materials》2024年第1期58-66,共9页中国科学（材料科学）（英文版）

基　　金：supported by the National Natural Science Foundation of China (22279098 and 22271083)。

摘　　要：钙钛矿太阳能电池(PSCs)的界面接触缺陷是影响其性能的重要因素,会引发迟滞效应从而降低转换效率(PCE)并使器件运行稳定性恶化.界面材料通常被用于消除界面缺陷,然而设计兼具优越电荷传输和缺陷钝化能力的高效界面分子仍然面临挑战.本文研究了四种新型推-拉型富勒烯二聚体DC_(60)-R1-R2(R1=H或Cl,R2=H或MeO),并将其作为金属氧化物和钙钛矿之间的界面层.这些富勒烯二聚体之间的极性取代基决定了分子间的相互作用,DC_(60)-Cl-MeO由于其吸电子基团(-Cl)与给电子基团(-MeO)之间最强的电子推拉效应,表现出最佳的电荷传输和缺陷钝化能力.DC_(60)-Cl-MeO作为界面材料的未封装平面结构(FAPbI3)x(MAPbBr3)1-xPSC获得最高23.3%的PCE,且无迟滞现象,即使在高湿环境中储存500小时后仍能保持接近100%的初始效率.在一个太阳光强度下,无需任何封装或者惰性气体保护,钙钛矿太阳能电池在最大功率点连续运行的外推TS80寿命(效率下降到初始值的80%)从参比器件的0.5小时延长到1110小时.推-拉型富勒烯分子是极具潜力的钙钛矿太阳能电池界面材料.Defective interface contact is detrimental to the performance of perovskite solar cells(PSCs),by inducing hysteresis,reducing power conversion efficiency(PCE)and deteriorating operation stability.Interlayer materials are commonly utilized to eliminate interfacial defects;however the design of efficient molecules with superior charge trans-port and defect passivation capabilities remains a big chal-lenge.Herein,four novel fullerene dimers DC_(60)-R1-R2(R1=H or Cl,R2=H or MeO)are synthesized as the interlayers between metal oxides and perovskites.The polar substituents of these fullerene dimers are found to determine the inter-molecular interaction between these fullerene molecules,with DC_(60)-Cl-MeO showing the greatest intermolecular charge transport and passivation ability due to the strongest push-pull effect of the electron-accepting chloride(-Cl)and elec-tron-donating methoxy(-MeO).The non-encapsulated planar(FAPbI3)x(MAPbBr3)1-x PSC with DC_(60)-Cl-MeO as the in-terlayer delivers a maximum PCE of 23.3%with no hysteresis,maintaining nearly 100%of the initial efficiency after being stored in a high humidity environment over 500 h.The ex-trapolated TS80 lifetime(the time required to reach 80%of initial performance)of the PSC device could be extended to 1110 h at the maximum power point operation condition under one sun illumination without any encapsulation or inert gas protection,superior to the pure SnO2-based device(0.5 h).Fullerene derivatives with push-pull substituents are therefore promising candidates as the interfacial materials for PSCs to receive high performance.

关 键 词：钙钛矿太阳能电池 金属氧化物 惰性气体保护 富勒烯 界面材料 电荷传输 高湿环境 推拉效应 

分 类 号：O631[理学—高分子化学] TM914.4[理学—化学]