In this study, we employed the one-dimensional solar cell capacitance simulator (SCAPS-1D) software to optimize the performance of Pb-based and Sn-based (Pb-free) all-inorganic perovskites (AIPs) and organic-inorganic perovskites (OIPs) in perovskite solar cell (PSC) structures. Due to the higher stability of AIPs, the performance of PSCs incorporating Cs-based perovskites was compared with that of FA-based perovskites, which are more stable than their MA-based counterparts. The impact of AIPs such as CsPbCl, CsPbBr, CsPbI, CsSnCl, CsSnBr, and CsSnI, as well as including FAPbCl, FAPbBr, FAPbI, FASnCl, FASnBr, and FASnI, was investigated. SnO and CuO were selected as an inorganic electron transport layer (ETL) and a hole transport layer (HTL), respectively. CsSnBr₃, CsSnI₃, FASnCl₃, and FASnBr₃ exhibited higher efficiency compared to their Pb-based counterparts. Additionally, most Cs-based perovskites, excluding CsPbI₃, demonstrated better performance relative to their FA counterparts. CsSnI AIP device also shows the highest short circuit current density (J) of 32.85 mA/cm, the best power conversion efficiency (PCE) of 16.00%, and the least recombination at the SnO/CsSnI interface. The thickness, doping, and total defect density of CsSnI PSC have been systematically investigated and optimized to obtain the PCE of 17.36%. These findings highlight the potential of CsSnI PSCs as efficient and environmentally friendly PSCs.
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