High Power-Conversion Efficiency of Lead-Free Perovskite Solar Cells: A Theoretical Investigation

Solar cells based on lead-free perovskite have demonstrated great potential for next-generation renewable energy. The SCAPS-1D simulation software was used in this study to perform novel device modelling of a lead-free perovskite solar cell of the architecture ITO/WS₂/CH₃NH₃SnI₃/P3HT/Au. For the performance evaluation, an optimization process of the different parameters such as thickness, bandgap, doping concentration, etc., was conducted. Extensive optimization of the thickness and doping density of the absorber and electron transport layer resulted in a maximum power-conversion efficiency of 33.46% for our designed solar cell. Because of the short diffusion length and higher defect density in thicker perovskite, an absorber thickness of 1.2 µm is recommended for optimal solar cell performance. Therefore, we expect that our findings will pave the way for the development of lead-free and highly effective perovskite solar cells.