Solar energy is found to be low cost and abundant of all available energy resources and needs exploration of highly efficient devices for global energy requirements. We have investigated methyl ammonium tin halide (CH3NH3SnI3)-based perovskite solar cells (PSCs) for optimized device performance using solar capacitance simulator SCAPS-1D software. This study is a step forward towards availability of stable and non-toxic solar cells. We explored all necessary parameters such as metal work functions, thickness of absorber and buffer layers, charge carrier’s mobility and defect density for improved device performance. Calculations revealed that for the best efficiency of device the maximum thickness of the perovskite absorber layer must be 4.2 μm. Furthermore, optimized thickness values of (ZnO=0.01 μm) as electron transport layer (ETL), GaAs as hole transport layer (HTL=3.02 μm) and (CdS=10 nm) and buffer layer have provided power conversion efficiency (PCE) of 23.53%. Variation of open circuit voltage (Voc), Short circuit current (Jsc), Fill Factor (FF%) and quantum efficiency against thickness of all layers in FTO/ZnO/CdS/CH3NH3SnI3/GaAs/Au compositions have been critically explored and reported. Interface defects and defect density in different inserted layers have also been reported in this study as they can play a crucial for the device performance. Insertion of ZnO layer and CdS buffer layers have shown improved device performance and PCE. Current investigations may prove to be useful for designing and fabrication of climate friendly, non-toxic and highly efficient solar cells.