Investigating the potential of perovskite-based redox electrolytes for dye sensitised solar cells: An in-depth analysis using mathematical and DFT techniques

This study investigates the efficiency enhancement of dye-sensitized solar cells (DSSCs) achieved by transitioning from methylammonium lead iodide (MAPbI3) to methylammonium lead mixed-halide (MAPbI2Cl) as a redox electrolyte. Using a combination of mathematical modelling and Density Functional Theory (DFT), the research evaluates the impact of this change on key physical parameters such as thickness, density of states, defect levels, and operational temperatures. The findings reveal that MAPbI2Cl significantly improves the efficiency of DSSCs from 11.35 % to 15.48 %. This enhancement is attributed to MAPbI2Cl’s superior charge carrier mobility and extended carrier lifetimes, which contribute to improved electronic properties and reduced recombination losses. Additionally, MAPbI2Cl exhibits enhanced stability compared to MAPbI3, addressing a critical challenge in DSSC performance. These insights highlight the potential of MAPbI2Cl as a next-generation redox electrolyte for DSSCs, paving the way for more efficient and stable solar energy technologies. The research emphasizes the importance of material optimization in advancing the sustainability and performance of photovoltaic systems, offering a promising pathway for future innovation in renewable energy.