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As the world recognizes the need to transition away from fossil fuel-driven energy conversion technologies, there is a global movement towards clean and renewable power. The purpose of this research is to improve the performance of KSnI3-based solar cells by introducing low-cost and widely available Spiro-OMeTAD as the hole transport layer and TiO2as the electron transport layer into the basic structure of PSCs. The parameters such as open circuit voltage, short circuit voltage, fill factor, and power conversion efficiency are analyzed by the SCAPS-1D program. Through the optimization of various factors including thickness, doping density, defect density, temperature, back contact, series and shunt resistance, PSC has been achieved with impressive performance having power conversion efficiency (PCE) = 20.34%, fill factor (FF) = 80.36%, short circuit current density (Jsc) = 18.8547 mA/cm2, and open circuit voltage (Voc) = 1.3428 V which is higher than that in previous study. This study’s results improve the way for the development of more sustainable and eco-friendly PSCs, which is contributing to the goal of clean and renewable energy generation.

Perovskite solar cell (PSC) technology is extensively used in commercial sectors, but concerns about the use of lead and degradable components in cells are increasing. A PSC, which is based on lead-free KSnI3, is illustrated through the SCAPS-1D simulation. In this work, different hole transport layers (HTLs; spiro-OMeTAD, Cu2O, NiO, and CuI) and electron transport layers (ETLs; TiO2, CdS, WS2, and ZnO) were simulated with the proposed device configuration and highest power conversion efficiency (PCE). By optimizing thickness variation, doping density, defect density, and back contact, we obtained the highest PCE = 20.99%, FF = 85.24%, Jsc= 17.063924 mA/cm2, and Voc= 1.4434 V. These values were higher than those in a previous study on a KSnI3-based PSC with phthalocyanine-based CTLs having PCE = 11.91% and on a TiO2, spiro-OMeTAD-based PSC with PCE = 9.776%. To achieve the final optimization result of PCE = 20.99%, we used CuI as the HTL, ZnO as the ETL, and KSnI3as the absorber layer. The FTO/ZnO/KSnI3/CuI/Au device structure provides an efficient and reliable solution for realizing remarkable efficiency in PSCs.