Performance and stability optimization of CsPbCl3-yIy (y = 0, 1, 2, and 3) lead-based perovskites solar cells using SCAPS-1D

Abstract

Recently, lead-based halide perovskites have aroused a great deal of interest as a promising material for optoelectronic applications because of their low cost and excellent energy conversion efficiency. In this study, we optimized the performance and stability of solar cells based on lead halide perovskites CsPbCl3-yIy (y = 0, 1, 2, and 3) by examining various parameters, such as the defect density and thickness of the absorbing layers, the work function of the back contact, the series and shunt resistances and the operating temperature. We performed a comparative study using the SCAPS simulation software. Our optimization of the solar cell parameters resulted in a power conversion efficiency of 26.29% for FTO/TiO2/CsPbI3/MoO3/Au, 17.47% for FTO/TiO2/CsPbI2Cl/MoO3/Au, 14.75% for FTO/SnO2/CsPbCl2I/Cu2O/Au, and 14.20% for FTO/SnO2/CsPbCl3/Cu2O/Au. These results indicate that perovskite solar cells based on CsPbI3 show better performance, but they are still very sensitive to high temperatures. In contrast, perovskite solar cells based on CsPbCl3 and CsPbCl2I show a more modest performance but are more stable. Replacing iodine with chlorine is an optimal solution for enhancing stability. Our simulation results provide a key starting point for further studies on solar cells based on lead halide perovskites CsPbCl3-yIy (y = 0, 1, 2, and 3).