Comparison of Pb‑based and Sn‑based perovskite solar cells using SCAPS simulation: optimal efficiency of eco‑friendly CsSnI3 devices

Abstract

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 ( JSC) 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.