Numerical Optimization and Performance Evaluation of Lead-Free BaZrS3-Based Perovskite Solar Cells with Consideration of Structural and Operating Parameters
Asadul Islam Shimul, Md. Maruf Hossain, Swarna Rani Sarker, Atiq Shahriare, Shamiul Alam, Safia Aktar Dipa
Abstract
Lead-free BaZrS3 is considered a highly promising substitute for lead-based halide perovskites. This research involved designing and simulating a perovskite solar cell using the Glass/ITO/ZnO/BaZrS<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">3</inf>/Cu<inf xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</inf>O/Ni structure. Zirconium halide perovskite was employed to address lead halides' stability and toxicity issues. The solar cell's performance was evaluated using the one-dimensional simulation program SCAPS-1D. The analysis focused on essential parameters such as absorber thickness, absorber defect density, hole transport layer (HTL) thickness, HTL acceptor density, electron transport layer (ETL) thickness, ETL donor density, and operating temperature. At a current density (JSC) of 21.49 mA/cm<sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup>, an open-circuit voltage (VOC) of 1.37 V, and a fill factor (FF) of 89.98%, the results indicate a maximum efficiency of 26.53%. These results establish the possibility of creating ecologically sustainable and highly effective PSCs using barium zirconium sulfide (BaZ<tex xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">$r$</tex>S3).