Optimizing lead-free Cs2AgBiBr6 double perovskite solar cells: insights from SCAPS and FDTD simulations

This research adopts an integrated simulation approach using the Solar Cell Capacitance Simulator (SCAPS) and Finite-Difference Time-Domain (FDTD) for the design and modelling of a Cs2AgBiBr6 perovskite solar cell and comprehensively investigates its photovoltaic parameters by incorporating NiO and WO3 as hole and electron transport layers in its architecture, respectively. While SCAPS simulations indicated a higher efficiency of 20.93%, FDTD analysis offered a more reliable representation of solar cell behavior by accurately capturing light-matter interactions and optical properties essential for performance prediction. This is due to the lack of consideration for optical losses and the flat band assumption, which fails to capture non-ideal characteristics, dynamic effects, and real-world influences; FDTD simulations, on the other hand, provide accurate estimations of optical properties, capturing light-matter interactions in detail. This research optimizes all parameters of the solar cell architecture and proposes an FTO/WO3/Cs2AgBiBr6/NiO/Cu-doped C structure, achieving an efficiency of 11.78%. The findings underscore the importance of considering various material and environmental factors in solar cell design to enhance long-term stability and efficiency, paving the way for advancements in non-toxic perovskite solar cell technology.