Device modeling of high performance and eco-friendly FAMASnI3 based perovskite solar cell

Abstract The development of environmentally friendly and highly efficient inverted perovskite solar cells (PSCs) poses a formidable challenge. The potential toxicity of absorbers and the pressing need to effectively passivate interlayers in hybrid organic-inorganic photovoltaics (PV) present major obstacles. To surmount these formidable challenges, we resorted to the SCAPS-1D and SILVACO ATLAS-2D device simulators to leverage theoretical design strategies that engender hysteresis-reduced, efficient, and stable PSCs that are grounded in composition and interface engineering. Further, we carried out optoelectronic characterization measurements to glean a better understanding of the physical mechanisms that govern the operation of the device. The device utilizes mixed-cation perovskites FAMASnI3 as the absorber layer and employs zinc oxide (ZnO) and phenyl-C61-butyric acid methyl ester (PC61BM) as a double electron transport layer (HTL). A double-hole transport layer (ETL) consists of nickel oxide (NiO) and copper iodide (CuI), ensuring a trap-free junction for hole collection and good contact. This inverted PSC structure, combined with the mentioned layers, achieved high power conversion efficiencies (PCEs) of 24.27% and 23.50% in 1D and 2D simulations, respectively. This study effectively illustrates that composition and interface engineering enable eco-friendly perovskite solar cells, leading to improved performance and advancing clean energy.