Exploration of All‐Inorganic Pb‐Free CsSnI ₃ ‐Based Perovskite Solar Cells: Performance Optimization by SCAPS‐1D Simulation Approach

Present work explores the computational study on performance analysis of all‐inorganic, Pb‐free CsSnI 3 ‐based perovskite solar cells having architecture as glass/FTO/TiO 2 /CdS/CsSnI 3 /CuSCN/Au by using SCAPS‐1D simulation framework. Modeled n‐i‐p planar configuration embraces CdS and TiO 2 bilayers as ETL, CuSCN as HTL, and Au as back contact where thickness of CsSnI 3 absorber is varied in 250–1000 nm range. Meticulous simulation study unveiled the apt performance parameters viz. V oc of 773.2 mV, J sc of 34.74 mA cm −2 , FF of 83.86%, and power conversion efficiency of 22.53% at optimized absorber layer thickness of one micron. The maximum quantum efficiency of devices in 400–800 nm spectral range is observed for 1 μm thin absorber‐based perovskite solar cells. Further, effect of variation in absorber layer's acceptor density and defect density along with operating temperature is studied, and the optimized devices bear V oc of 909.4 mV, J sc of 34.79 mA cm −2 , FF of 85.43%, and PCE of 27.03%. The current succinct study not only assists in progression of experimental works but also tenders to innovative tactics too for lead‐free, all‐inorganic CsSnI 3 ‐based PSCs, hence tempting toward new‐fangled paths for futuristic research.