Fractional differential quadrature method for modeling composite halide perovskite solar cells

Abstract

This work presents a novel approach for high-efficiency modeling of composite halide perovskite solar cells using the Fractional Differential Quadrature (FDQ) method. The FDQ method is applied to solve the governing equations derived from continuity and Poisson equations describing charge transport in a specific perovskite structure (PCBM/CH3NH3GeI3/CuI) solar cell. Our simulations demonstrate high accuracy with an error margin of 10⁻⁸ compared to experimental data and significant computational efficiency compared to other experimental and numerical methods. A detailed parametric study investigated the influence of temperature, layer thickness, charge carrier mobilities, and bandgaps on key performance indicators, including short-circuit current (Jsc), open-circuit voltage (Voc), fill factor (FF), and power conversion efficiency (PCE). Key findings include a maximum Jsc with a 300 nm increase in HTL thickness, a 7.5% decrease in PCE with a 50 nm increase in ETL thickness. These results provide valuable insights for optimizing the design and fabrication of high-performance composite halide perovskite solar cells and demonstrate the potential of the FDQ method as a powerful tool for device modeling and optimization.