Modeling the Performance of BaZrS3-Based Perovskite Solar Cells Using SCAPS-1D

Abstract Chalcogenide perovskites such as BaZrS3, which is abundant on Earth and forms a perovskite-type structure, have drawn noticeable attention for photovoltaic (PV) applications due to their nontoxic nature and offer excellent environmental stability. It demonstrates an ideal band gap, making it suitable as an absorber layer in PV devices. In this study, BaZrS3-based chalcogenide perovskite solar cells were simulated using the SCAPS-1D software. The behavior of various parameters in photovoltaic devices was explored to examine their impact on device outputs and improve solar cell efficiency. A variety of hole transport layers (HTLs), including CdTe, PTAA, C6TBTAPH2, and MoO3, were tested with PC60BM as an electron transport layer (ETL). After device optimization, the proposed device configuration is FTO/PC60BM/BaZrS3/MoO3/Au. Optimized device achieves power conversion efficiency (PCE) of 18.15%, with JSC values of 17.83 mA/cm2, a VOC value of 1.188V, an FF value of 89.51%, and quantum efficiency (QE) of 100% in the visible spectrum. The influence of resistance and operating temperature on device performance was systematically analyzed. It is found that device performance decreases as the operating temperature and series resistances increase. The obtained results indicate that the present work regarding chalcogenide BaZrS3-based perovskites has significant potential as absorber materials for creating highly efficient and sustainable perovskite solar cells.