Comparative performance analysis of lead-free perovskites solar cells by numerical simulation

Research of lead-free perovskite solar cells (PSCs) has gained attention with an urgent intent to eliminate toxic lead in perovskite materials. The prime intention of this research is to supplement the current research progress with a comparative analysis of various lead-free PSCs through numerical simulation analysis using solar cell capacitance simulator (SCAPS)-1D software. Lead-based toxicity and instability have been one of the major hurdles in restricting perovskite solar cells from being commercialized. This study caters in substituting the need for toxic lead (Pb)-based PSCs with more efficient Pb-free PSCs. The device simulation is carried out in the n–i–p configuration of FTO/6,6-phenyl-C61-butyric acid methyl ester/perovskite layer/poly[bis(4-phenyl)(2,4,6-trimethylphenyl)amine/Au using six distinct Pb-free perovskites. The impact of various active layers, including hole and electron transport thicknesses and the concentration of doping on solar device performances, has been minutely probed and optimized. CsSnI3 based PSC shows the best power conversion efficiency of 28.97% among all Pb-free devices. This makes very evident its probability to achieve high-performance Pb-free solar devices experimentally at par with lead-based perovskite solar cells in future research.