Design and Simulation Modelling of MAXI ₃ and FAXI ₃ Perovskite Solar Cells with Different Electron Transport Layers and Hole Transport Layers for Energy Harvesting

A new paradigm in solar cell manufacturing has recently emerged with the development of hybrid organic–inorganic perovskite (HOIP) solar cells with ABY 3 perovskite‐based photovoltaics. Though there have been many studies on these novel materials, only a few have compared simulations with experimental results. In this research article, we have investigated two of the most practical structures that are used as effective active layers in HOIP solar cells: MAXI 3 and FAXI 3 (where X = Pb, Sn, Ge). To achieve this, the suggested structures with various electron transport layer and hole transport layer materials were investigated to find the best efficiency through one‐dimensional solar cell capacity simulator. Based on our analysis, by varying the layers of FAXI 3 and MAXI 3 , it is observed that FASnI 3 and MASnI 3 are suitable materials to be used as active layer in the development of solar cell devices. Because lead‐based halide perovskite is harmful, Pb‐free perovskite solar cells (PSCs) garnered significant attention in research. Given that MASnI 3 and FASnI 3 have a narrower band gap and a wider visible absorption spectrum range than MAPbI 3 or FAPbI 3 , it is a viable alternative to Pb‐based solar cells. The results show that, in terms of environmental friendliness and comparable high efficiency of Pb‐based halide perovskite cells, the Pb‐free PSC represents a promising future for the photovoltaic community with an energy conversion efficiency (ECE) of 30.02% for FASnI 3 and 27.51% for MASnI 3 ‐based absorbing layers with 600 and 1200 nm, respectively.