Numerical simulation and optimization of high-performance lead-based FAMACsPb(IBr)₃ perovskite solar cells using SCAPS 1D

• SCAPS-1D used to model FAMACsPb(BrI)₃ perovskite solar cells. • ETL and HTL optimized for superior charge transport efficiency. • Absorber thickness and defects tuned for peak device performance. • Achieved 26.16 % PCE with Voc = 1.16 V, Jsc = 26.28 mA/cm², FF = 85.2 %. To develop high-performance hybrid perovskite solar cells, it seems necessary to identify the most suitable charge transport materials and perovskite absorber characteristics through a meticulous analysis of various device parameters, including layer thickness, doping concentration, and defect densities. In this work, the photovoltaic performance of triple cation mixed halide FAMACsPb(IBr) 3 -based solar cells are investigated using one-dimensional Solar Cell Capacitance Simulator (SCAPS 1D) platform. Firstly, a study of various electron transport materials (ETMs) is carried out to understand their influence on the device’s performance. Once the ETM is chosen and their properties are identified, the optimization of the hole transport material (HTM) is carried out by varying its thickness and the doping concentration. Furthermore, the thickness and the defect density of the perovskite absorber were tuned to further optimize the performance of the designed solar cells. The optimized device exhibited a power conversion efficiency (PCE) of 26.16 %, with an open circuit voltage ( V oc ), short-circuit current density ( J sc ), and fill factor ( FF ) of 1.16 V, 26.28 mA.cm -2 , and 85.20 %, respectively. The findings of this study are expected to be a helpful reference for the future implementation of a cost-effective and efficient triple cation perovskite solar cell.