Numerical Simulation and Optimization of Stable CH₃NH₃PbI₃-based 2D/3D Mixed Dimensional Perovskite Solar Cell

Abstract

Over the recent decades, solar power has gained significant attention globally as a sustainable and cost-effective source of energy outpacing other renewable energy alternatives. Perovskite Solar Cells (PSCs) have been identified as a powerful photovoltaic technology due to their exceptional characteristics including improved efficiency and affordability. The perovskite material demonstrates superior properties such as higher absorption coefficients, adjustable band gaps and extended charge carrier lifetime. However, conventional 3D perovskite solar cells face instability issues upon exposure to elevated temperatures and moisture delaying commercialization. 2D perovskite materials demonstrate a higher stability level than their 3D counterparts. Therefore, 2D/3D mixed dimensional PSCs have been developed to overcome these challenges and achieve balanced performance and long-term stability simultaneously. In this study, a 2D/3D mixed dimensional PSC was numerically simulated by incorporating 2D-MAPbI3 capping layer on the top of 3D-MAPbI3 using SCAPS-1D solar cell simulation software. The proposed device architecture is FTO/TiO2/3D-MAPbI3/2D MAPbI3/Cu2O/Au. The device performance was optimized by varying the thickness and the defect density of 3D-MAPbI3 layer. The optimized device demonstrates maximum power conversion efficiency (PCE) of 24.52% at 1μm thickness and defect density range of 1010-1012 cm-3. This analysis reveals that the 2D/3D mixed-dimensional PSC delivers enhanced efficiency while ensuring the prolonged operational stability of the solar cell.