Comparison of Pb-based and Sn-based perovskite solar cells using SCAPS simulation: optimal efficiency of eco-friendly...

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 CsPbCl₃, CsPbBr₃, CsPbI₃, CsSnCl₃, CsSnBr₃, and CsSnI₃, as well as including FAPbCl₃, FAPbBr₃, FAPbI₃, FASnCl₃, FASnBr₃, and FASnI₃, was investigated. SnO₂ and Cu₂O 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. CsSnI₃ AIP device also shows the highest short circuit current density (J_SC) of 32.85 mA/cm², the best power conversion efficiency (PCE) of 16.00%, and the least recombination at the SnO₂/CsSnI₃ interface. The thickness, doping, and total defect density of CsSnI₃ PSC have been systematically investigated and optimized to obtain the PCE of 17.36%. These findings highlight the potential of CsSnI₃ PSCs as efficient and environmentally friendly PSCs.