Design and performance evaluation of eco-friendly Ba(Zr0.95Ti0.05)S3/MASnI3 based perovskite solar cells utilize a variety of hole and electron transport materials

This research is a comprehensive analysis that provides a new model for perovskite solar cells (PSCs). Halide PSCs are the preferred option for solar absorbers in photovoltaic (PV) technology because it has superior optical properties, enhanced efficiency, lightweight nature, and significantly reduced cost. In this study, the simulation of the double-absorber layer organic–inorganic perovskite solar cells (PSC) has been carried out, where Ba(Zr_0.95Ti_0.05)S₃ is used as the upper absorber layer, and MASnI₃ is used as the lower absorber layers. It is examined using the solar cell research software SCAPS-1D simulation package. The main object of this research is to test the congenial components for the hole-transporting layers (HTL) and electron-transporting layers (ETL). In addition, this research goal is to ascertain better parameters for active layer thickness, temperature-absorbing defect density, and metal-work functions for the recommended PV cell performance. After optimizing the proposed solar cell structure by changing various components in ETL and HTL, the highest result attained the FTO/SnS₂/Ba(Zr_0.95Ti_0.05)S₃/MASnI₃/CuO/Au structure, which exhibits an open circuit voltage of V_o = 1.2907 V, fill factor of 86.21 %, short-circuit current of J_sc = 34.7308 mA/cm², and a maximum power conversion efficiency (PCE) of 38.65 %. The headway is attained by engaging SnS₂ as the ETL and CuO as the HTL in the structure. Using the Scaps-1D simulation, we optimized temperature, thickness, defect density, shallow acceptor density, and back contact work functions. It was attained by leaving a thickness of 1 µm for the MASnI₃ absorber and 0.01 µm for the Ba(Zr_0.95Ti_0.05)S₃ absorber.