反式卤素钙钛矿太阳能电池光伏性能的理论研究  

Theoretical study of photovoltaic performance for inverted halide perovskite solar cells

作　　者：张翱 张春秀 陈云琳 张春梅 孟涛 Zhang Ao;Zhang Chun-Xiu;Chen Yun-Lin;Zhang Chun-Mei;Meng Tao(Department of Science,Beijing Institute of Graphic Communication,Beijing 102600,China;Institute of Applied Micro-Nano Materials,School of Science,Beijing Jiaotong University,Beijing 100044,China)

机构地区：[1]北京印刷学院基础部,北京102600 [2]北京交通大学理学院,微纳材料及应用研究所,北京100044

出　　处：《物理学报》2020年第11期319-325,共7页Acta Physica Sinica

基　　金：国家自然科学基金(批准号:61875235,11605012)资助的课题.

摘　　要：正式MAPbI3 (MA=CH3NH3+)太阳能电池存在明显的电滞效应现象,这严重影响其光伏性能,而反式结构的电池能有效压低电滞效应.使用AMPS-1D程序对反式MAPbI3太阳能电池进行系统理论模拟和优化,分别用Cu2O,CuSCN,NiOx作为空穴传输材料,用PC61BM,TiO2,ZnO作为电子传输材料.数值模拟反式电池光伏性能随MAPbI3材料厚度变化的情况,结果显示ITO/NiOx/MAPbI3/ZnO(或TiO2)/Al太阳能电池的光伏性能最好.ITO的功函数从4.6 eV增加到5.0 eV能显著地提高Cu2O-基和CuSCN-基反式MAPbI3太阳能电池的光伏性能,但对NiOx-基电池光伏性能的提升却很小.实验上ITO功函数更合理范围为4.6-4.8 eV,当ITO功函数达到4.8 eV时NiOx-基反式MAPbI3太阳能电池达到最高效率29.588%.空穴传输材料中空穴迁移率增加能极大地提高反式MAPbI3太阳能电池的光伏性能,而增加电子传输材料TiO2中电子迁移率几乎不能提高电池的性能.这些模拟结果将有助于实验上设计更高性能的反式MAPbI3太阳能电池.The existence of serious hysteresis effect for regular perovskite solar cells(PSCs)will affect their performances,however,the inverted PSCs can significantly suppress the hysteresis effect.To data,it has been very rarely reported to simulate the inverted planar heterojunction PSCs.In this paper,the effects of hole transport material(HTM),electron transport material(ETM),and ITO work function on performance of inverted MAPbI3 solar cells are carefully investigated in order to design the high-performance inverted PSCs.The inverted MAPbI3 solar cells using Cu2O,CuSCN,or NiOx as HTM,and PC61BM,TiO2,or ZnO as ETM are simulated with the program AMPS-1D.Simulation results reveal that i)the inverted MAPbI3 solar cells choosing NiOx as HTM can effectively improve the photovoltaic performance,and the excellent photovoltaic performance obtained by using TiO2 as ETM is almost the same as by using ZnO as ETM;ii)the ITO work function increasing from 4.6 eV to 5.0 eV can significantly enhance the photovoltaic performances of Cu2O—based and CuSCN—based inverted MAPbI3 solar cells,and the NiOx—based inverted MAPbI3 solar cells have only a minor photovoltaic performance enhancement;iii)based on the reported ITO work function between 4.6 eV and 4.8 eV,the maximum power conversion efficiency(PCE)of 27.075%and 29.588%for CuSCN—based and NiOx—based inverted MAPbI3 solar cells are achieved when the ITO work function reaches 4.8 eV.The numerical simulation gives that the increase of hole mobility in CuSCN and NiOx for ITO/CuSCN/MAPbI3/TiO2/Al and ITO/NiOx/MAPbI3/TiO2/Al can greatly improve the device performance.Experimentally,the maximum hole mobility 0.1 cm2·V–1·s–1 in CuSCN restricts the photovoltaic performance improvement of CuSCN—based inverted MAPbI3 solar cells,which means that there is still room for the improvement of cell performance through increasing the hole mobility in CuSCN.It is found that NiOx with a reasonable energyband structure and high hole mobility 120 cm2·V–1·s–1 is an ideal HTM in invert

关 键 词：反式结构 卤素钙钛矿太阳能电池 光伏性能 数值模拟 

分 类 号：TM914.4[电气工程—电力电子与电力传动] TB34[一般工业技术—材料科学与工程]