Abstract

Lead-free perovskite-based solar cells has acquired rapid and expanding attention due to removing hazardous lead from perovskite materials. The major goal of this work is to supplement the research progress by doing a comparative analysis of lead-free perovskite-based solar cells using DFT and a numerical simulation method with the solar cell capacitance simulator-SCAPS-1D. At first, the bandgap and all optical performance were calculated via DFT then these data were applied SCAPS-1D simulator. Next design and optimized all solar cell performance parameters and compare of lead-free perovskite of RbSnCl3 and traditional perovskite RbPbBr3 solar cell with SnS2 as a high-bandgap chalcogenide electron transport layer (ETL) through SCAPS-1D. The effect of absorber and electron transport layer (ETL) thickness, doping concentration, defect density, interface defect density and temperature impact on solar cell efficiency has been comprehensively explored and compared. The proposed heterostructure of Al/FTO/SnS2/(RbPbBr3 and RbSnCl3)/Au shows that the PCE over 29.75% and 33.61% obtained with VOC of 0.978 and 0.825 V, Jsc of 34.58 and 51.44 mAcm−2, and FF of 87.91 and 79.19% for RbPbBr3 and RbSnCl3 absorber, respectively. These detailed findings revealed that high-performance lead-free perovskite solar cells can be achieved in a near future.

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