A comprehensive study to evaluate performances of Cs3Sb2I9-based perovskite solar cell with Spiro-MeOTAD HTL using SCAPS-1D simulator

This study designs and analyzes a Cs3Sb2I9-based perovskite solar cell (PSC) using the SCAPS-1D simulator, proposing a planar structure of Mo/Spiro-MeOTAD/Cs3Sb2I9/ZnO0.25S0.75/FTO/Al. The performance of the Cs3Sb2I9 PSC is compared using different hole transport layers (HTLs). It is revealed that Spiro-MeOTAD HTL provides better band alignment with active layer, thus minimizing recombination loss. The photovoltaic properties are also evaluated by adjusting bulk defect density, HTL/absorber and absorber/ETL interface defects, doping levels, and layer thicknesses. The impacts of metal work function and temperature on device efficiency are further explored. After optimizing the device parameters, the simulated PSC achieves efficiency of 20.25 % with open-circuit voltage (Voc) of 1.52 V, short-circuit current density (Jsc) of 15.02 mA/cm2, and fill-factor (FF) of 88.31 %. These results indicate that ZnO0.25S0.75 as an electron transport layer and Spiro-MeOTAD as a hole transport layer can be effectively used to create efficient, cost-effective, and eco-friendly Cs3Sb2I9-based PSCs.