铅基卤化物钙钛矿太阳电池的模拟研究

Simulation of Lead-Based Halide Perovskite Solar Cells

多元硫化物Cd_(0.5)Zn_(0.5)S和氧化亚铜Cu_(2)O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Cu_(2)O和Cd_(0.5)Zn_(0.5)S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(CH_(3)NH_(3)PbI_(3))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1.0×10^(14) 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/cm^(2),填充因子为80.01%,电池转换效率为25.20%。因此,Cu_(2)O/CH_(3) NH_(3)PbI_(3)/Cd_(0.5)Zn_(0.5)S钙钛矿太阳电池是一种很有发展潜力的光伏器件。

The multiple sulfides Cd_(0.5)Zn_(0.5)S and cuprous oxide Cu_(2)O 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_(0.5)Zn_(0.5)S and Cu_(2)O 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(CH_(3)NH_(3)PbI_(3))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 1.0×10^(14) 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/cm^(2),a fill factor of 80.01%,and a conversion efficiency of 25.20%.Therefore,the Cu_(2)O/CH_(3) NH_(3)PbI_(3)/Cd_(0.5)Zn_(0.5)S halide solar cell is a photovoltaic device with great development potential.