Analysis and performance evaluation of non-toxic organo-metal halide (CH3NH3SnI3) perovskite optical absorber based photovoltaic cell

Tin-based Perovskite solar cells (PSC) have emerged as a promising alternative to environmentally hazardous lead-based Perovskite solar cells. The lead-free Perovskite compound (CH 3 NH 3 SnI 3 ) is particularly appealing due to its wide absorption spectrum. Perovskite materials both organic and inorganic, exhibit exceptional optical features such as a high absorption coefficient, a tunable band gap, and manufacturing techniques based on solution. The optical absorber material has been used in a novel solar cell composition ITO/TiO 2 /CH 3 NH 3 SnI 3 /NiO/Mo. To assess the device's performance, several critical parameters were investigated, including, structural layer thickness, carrier mobility, and the defect density. The numerical investigations were carried through solar capacitance simulator SCAPS-1D. By using calculations, Perovskite (CH 3 NH 3 SnI 3 ) optical absorbent layer's thickness for the optimum device efficiency was adjusted to 1.032μm, for electron transport layer (ETL) TiO 2 the thicknesses was 0.002μm and hole transport layer (HTL) NiO (HTL) optimized thickness was adjusted to be 0.02μm. The device power conversion efficiency (PCE) was found to be 21.068%. Electrical parameters open circuit voltage (V oc ), short circuit current (J sc ), Fill Factor (FF %) and quantum efficiency (QE) get influenced by variation in layers thicknesses and interface defect densities. The proposed composition has been thoroughly investigated, and the optimized device performance has been comprehensively analyzed in this study. Current investigations may help to design and manufacture the environmentally acceptable, non-toxic, and efficient solar cells. Simulated diagram of CH 3 NH 3 SnI 3 based perovskite solar cellThe Energy Band diagram for NiO/CH 3 NH 3 SnI 3 /TiO 2 solar cell • A new perovskite-based solar cell with a structure of Mo/p-NiO/CH 3 NH 3 SnI 3 /n-TiO 2 /ITO was developed. • Efficiency enhancements were achieved by optimizing factors like thickness, defect density, and temperature. • Optimized parameters: ETL TiO 2 layer (0.002 μm), Absorber CH 3 NH 3 SnI 3 layer (1.032 μm), HTL NiO layer (0.02 μm). • The solar cell showed a PCE of 21.068%, V oc of 0.88674 volts, J sc of 31.9447 mA/cm 2 , and a Fill Factor of 74.4006%. • Minimal impact on efficiency was observed from interface defect density at NiO/CH 3 NH 3 SnI 3 and CH 3 NH 3 SnI 3 /TiO 2 interfaces. • Energy band-gap values: NiO HTL (3.2 eV), CH 3 NH 3 SnI 3 absorber (1.350 eV), TiO 2 ETL (3.8 eV). • Increased diffusion length led to higher recombination rates, reducing performance. • The study emphasizes the need for continued research in renewable energy, particularly in organic and inorganic halide solar cells. • NiO HTL is cost-effective, and TiO 2 ETL offers high electron mobility with low processing costs. • The proposed ITO/TiO 2 /CH 3 NH 3 SnI 3 /NiO/Mo configuration may yield better results for lead-free CH 3 NH 3 SnI 3 -based solar cells.