In recent years, the growing significance of lead-free CsSnI3 perovskite can be credited to its outstanding optoelectronic properties and environmentally friendly nature. Nevertheless, the photovoltaic potential of CsSnI3 is limited due to challenges in achieving defect-free device structures. The current study thoroughly analyzed the performance of CsSnI3-based perovskite solar cells (PSCs) using the SCAPS-1D software. An in-depth investigation was performed on multiple physical parameters, including the thickness of perovskites layer, acceptor density (NA), operating temperature, defect densities, shunt resistance (RSh) and series resistance (RS). This comprehensive study aimed to identify the optimal device configuration that yields the highest power conversion efficiency (PCE) for the hole-transport-layer (HTL)-free CsSnI3-based PSCs. The obtained results confirmed that it is crucial to decrease the number of defects (Nt) at the perovskites/electron transport layer (ETL) interface to improve the efficiency of CsSnI3-based PSCs. The optimized device demonstrated exceptional performance, achieving an open-circuit voltage (VOC) of 1.12 V, a fill factor (FF) of 85.08%, a short-circuit current density (JSC) of 33.29 mA cm−2 and an efficiency of 31.87%. This high efficiency simulated result provide valuable insights into the design of high-performance CsSnI3-based PSCs, paving the way for potential breakthroughs in cost-effective and eco-friendly solar energy technologies.