Comparative performance analysis of mixed halide perovskite solar cells with different transport layers and back metal contacts

In this study, SCAPS-1D software is used to model and analyze the performance of various perovskite solar cells (PSCs) with diverse back contact metals, electron transport layers and hole transport layers combined with different mixed halide perovskite absorber materials CH₃NH₃PbI_3−XCl_X and CH₃NH₃PbI_3−XBr_X for X = 1, 2. With CH₃NH₃PbI_3−XCl_X as the absorber layer, the best performance is obtained for the configuration glass/fluorine-doped tin oxide (FTO)/indium gallium zinc oxide (IGZO)/CH₃NH₃PbI_3−XCl_X/CuSbS₂/Au for X = 1 with a fill factor (FF) of 61.83% and a power conversion efficiency of 13.31%. The device configuration glass/FTO/IGZO/CH₃NH₃PbI_3−XBr_X/CuO/Pd for X = 1 shows the best performance with a power conversion efficiency of 15.55% and FF of 71.19% for CH₃NH₃PbI_3−XCl_X as the absorber layer. The study shows that the optimum total defect density values of the absorber layer, MAPbI_3−XCl_X with X = 1 and X = 2 are 2.5 × 10¹³ cm⁻³ and 2.5 × 10¹⁴ cm⁻³, respectively. For the MAPbI_3−XBr_X absorber layer, with X = 1 and 2, the optimum defect density is found to be 1 × 10¹⁵ cm⁻³. The optimum dopant concentration is found to be 1.0 × 10¹⁸ cm⁻³and 1.0 × 10¹⁶ cm⁻³, respectively, for PSCs with MAPbI_3−XCl_X as the absorber layer, for X = 1 and 2. For PSCs with MAPbI_3–XBr_X as an absorber layer with X = 1 and 2, the optimum dopant density is found to be 1.0 × 10¹⁶ cm⁻³ each. The device is found to be stable at an operating temperature of 300 K. (paper)