铅基卤化物钙钛矿太阳电池的模拟研究

摘要/Abstract

摘要： 多元硫化物Cd_0.5Zn_0.5S和氧化亚铜Cu₂O载流子迁移率较大,且其制作工艺相对于传统的电子传输层和空穴传输层更为简单,因此这两种材料在钙钛矿太阳电池中具有很好的应用潜力。本文利用SCAPS-1D软件对以Cu₂O和Cd_0.5Zn_0.5S为传输层、以铅基卤化物钙钛矿为吸收层的太阳电池进行模拟,主要研究了该器件的材料厚度、掺杂浓度、禁带宽度等因素对太阳电池性能的影响。结果表明:当光吸收层(CH₃NH₃PbI₃)厚度开始增大时电池性能逐渐提高,但是增大到一定厚度时,电池性能下降,光吸收层的最佳厚度为400 nm;当光吸收层的缺陷态密度小于1.0×10¹⁴ cm^-3时,缺陷态密度对电池性能的影响比较小;此外,铅基卤化物钙钛矿的禁带宽度对电池性能有重要影响,最佳禁带宽度为1.5 eV左右。通过模拟,得到了优化后的性能参数为:开路电压为1.010 V,短路电流密度为31.30 mA/cm²,填充因子为80.01%,电池转换效率为25.20%。因此,Cu₂O/CH₃ NH₃PbI₃/Cd_0.5Zn_0.5S钙钛矿太阳电池是一种很有发展潜力的光伏器件。

关键词: 掺镉硫化锌, 氧化亚铜, 铅基卤化物, 钙钛矿太阳电池, 转换效率, SCAPS-1D, 缺陷态密度

Abstract: The multiple sulfides Cd_0.5Zn_0.5S and cuprous oxide Cu₂O have high carrier mobility, and their production processes are simpler than that of the traditional electron transport layer and hole transport layer. Therefore, these two materials have very good application potential in perovskite solar cells. The solar cells with Cd_0.5Zn_0.5S and Cu₂O as the transmission layer and lead-based halide perovskites as the absorption layer were simulated using SCAPS-1D software. The influence of material thickness, doping concentration and bandgap on the perovskite solar cells performance was studied. The results show that as the thickness of the absorber layer (CH₃NH₃PbI₃) increases, the cells performance gradually improves, but when it increases to a certain thickness, the cells performance decreases. The optimal thickness of the absorber layer is 400 nm. Moreover, when the defect state density of the absorbing layer is less than 1.0×10¹⁴ cm^-3, the defect state density has little influence on the cells performance. In addition, the bandgap of the absorber has important influence on the cells performance, and the best bandgap is about 1.5 eV. The best performance parameters for this solar cells are obtained as an open-circuit voltage of 1.010 V, a short-circuit current density of 31.30 mA/cm², a fill factor of 80.01%, and a conversion efficiency of 25.20%. Therefore, the Cu₂O/CH₃ NH₃PbI₃/Cd_0.5Zn_0.5S halide solar cell is a photovoltaic device with great development potential.

Key words: Cd_0.5Zn_0.5S, Cu₂O, lead-based halide, halide solar cell, conversion efficiency, SCAPS-1D, defect state density

中图分类号:

TM914.4

肖建敏, 袁吉仁, 王鹏, 邓新华, 黄海宾, 周浪. 铅基卤化物钙钛矿太阳电池的模拟研究[J]. 人工晶体学报, 2022, 51(6): 1051-1058.

XIAO Jianmin, YUAN Jiren, WANG Peng, DENG Xinhua, HUANG Haibin, ZHOU Lang. Simulation of Lead-Based Halide Perovskite Solar Cells[J]. JOURNAL OF SYNTHETIC CRYSTALS, 2022, 51(6): 1051-1058.

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