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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 CH3NH3PbI3−X Cl X and CH3NH3PbI3−X Br X for X = 1, 2. With CH3NH3PbI3−X Cl X as the absorber layer, the best performance is obtained for the configuration glass/fluorine-doped tin oxide (FTO)/indium gallium zinc oxide (IGZO)/CH3NH3PbI3−X Cl 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/CH3NH3PbI3−X Br X /CuO/Pd for X = 1 shows the best performance with a power conversion efficiency of 15.55% and FF of 71.19% for CH3NH3PbI3−X Cl X as the absorber layer. The study shows that the optimum total defect density values of the absorber layer, MAPbI3−X Cl X with X = 1 and X = 2 are 2.5 × 1013 cm−3 and 2.5 × 1014 cm−3, respectively. For the MAPbI3−X Br 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 MAPbI3−X ClX as the absorber layer, for X = 1 and 2. For PSCs with MAPbI3–X Br 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.

A comparative theoretical study on the performance of perovskite solar cells (PSCs) with methyl ammonium lead iodide (MAPbI3) and methyl ammonium germanium iodide (MAGeI3) as absorber layers is reported by modeling the solar cells for a number of electron transport materials (ETMs), hole transport materials, and back‐contact metals using solar cell capacitance simulator 1D tool. For MAPbI3 as the absorber layer, the best photovoltaic performance is observed for the configuration glass/fluorine‐doped tin oxide (FTO)/SnO2/MAPbI3/NiO/Au with a power conversion efficiency (PCE) of 20.58% and a fill factor (FF) of 68.34% and for MAGeI3, the configuration glass/FTO/SnO2/MAGeI3/CuO/Pd exhibits the best performance with a PCE of 13.12% and a FF of 68.29%. This study indicates that the low‐cost metal oxide SnO2 is a better substitute for the commonly used TiO2 as ETM, and the metal oxides like NiO and CuO provide a higher PCE for device configurations with MAPbI3 and MAGeI3, respectively, as the absorber layer. The low‐cost back‐contact metal Pd provides a better performance for MAGeI3‐based PSCs. This study also indicates that the nontoxic MAGeI3‐based PSCs can be used for commercial applications as they are more thermally stable than the MAPbI3‐based PSCs and provide an equally good quantum efficiency curve as that of MAPbI3‐based PSCs.

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