Optimization of Pb-free Highly Efficient Cs2AgInBr6 Double Perovskite Solar Cells: A Numerical Investigation using SCAPS
Mahir Abrar, Ishrat Jahan Biswas, Deidra Hodges
Abstract
Abstract Halide perovskite solar cells have garnered significant attention as one of the most rapidly advancing technologies in the field of photovoltaics (PV). In 2009, hybrid organic–inorganic halide perovskites achieved an initial power conversion efficiency (PCE) of 3.8%, with CH 3 NH 3 PbI 3 serving as a photosensitizer in dye-sensitized solar cells. Recently, perovskite solar cells have attained a National Renewable Energy Laboratory (NREL)-certified record efficiency of 27%. However, the widespread adoption of lead-based perovskite solar cells (PSCs) is limited by the toxicity of lead (Pb) and their inherent stability challenges. To address these issues, researchers are focusing on lead-free alternatives that maintain high efficiency while improving stability. Pb-free double perovskite solar cells (DPSCs) have gained attention due to their promising performance, cost-effectiveness, and superior stability. This study explores the use of the nontoxic inorganic material Cs 2 AgInBr 6 as the absorber layer in a DPSC, using SCAPS-1D software for simulation. The impact of different electron transport layers (ETLs), including zinc selenide (ZnSe) and tungsten disulfide (WS 2 ), and hole transport layers (HTLs) including copper barium thiostannate (CBTS), methylammonium tin(II) bromide (MASnBr 3 ), and cuprous oxide (Cu 2 O) on photovoltaic performance metrics, including power conversion efficiency, fill factor, and overall operational performance was analyzed. The results indicate that, with an optimal absorber layer thickness of 600 nm, the FTO/ZnSe/Cs 2 AgInBr 6 /MASnBr 3 /Ag device achieves a peak efficiency of 26.64%, attributed to its high open-circuit voltage of 1.1562 V, short-circuit current density of 27.494343 mA/cm 2 , and fill factor of 83.79% under a standard solar spectrum at air mass (AM) 1.5 and 300 K.