Exploring eco-friendly novel charge transport materials for enhanced performance of tin based perovskite solar cell

This pioneering simulation study explores the potential of perovskite materials, particularly the non-toxic methyl ammonium tin iodide (MASnI₃), in solar cell technology. The investigation focuses on eco-friendly, solution-processed compounds—specifically, WO₃ and In₂S₃ as Electron Transport Layers (ETL) and MoO₃ and WSe₂ as Hole Transport Layer (HTL)—to develop planar n-i-p MASnI₃ perovskite solar cell (PSC) devices. WO₃ is chosen for its solution processing and high electron mobility, while In₂S₃ offers n-type properties, superior carrier mobility, non-toxicity, and thermal durability. MoO₃ and WSe₂ are selected as HTLs for their efficient charge transport capabilities. Utilizing the solar cell capacitance simulator (SCAPS-1D) software, the study systematically evaluates alternative charge-selective materials, considering various parameters such as thickness (0.1 µm to 1.5 µm for absorber and 0.1 µm to 0.35 µm for CTLs), doping concentration (3.2E10 to 3.2E16 for absorber and E16 to E20 for CTLs), defect density, and energy band offset for MASnI₃ PSCs. Four distinct n-i-p device structures are optimized, yielding impressive PCE improvements ranging from 14.63 % to 25.34 %, a significant 3 % enhancement compared to initial results. Notably, the WO₃/MASnI₃/WSe₂ configuration exhibits limitations in electrical performance, while the other optimized structures demonstrate substantial efficiency gains. Further analysis investigates the impact of reflecting coatings (10 % to 90 %), varying contact work functions (5.2–5.8 eV), and temperature (300–400 K) on photovoltaic parameters. Critical factors including energy band offset, recombination current profile, and built-in potential, are meticulously examined, laying the groundwork for advanced PSC implementation. The study culminates in the In₂S₃/MASnI₃/MoO₃ device configuration, which achieves a peak efficiency of 25.34 %, showcasing superior thermal stability and an enhanced fill factor, thus propelling all-inorganic PSCs towards practical implementation.