Comparative study of distinct halide composites for highly efficient perovskite solar cells using a SCAPS-1D simulator

Abstract

This research investigates the influence of halide-based methylammonium-based perovskites as the active absorber layer (PAL) in perovskite solar cells (PSCs). Using SCAPS-1D simulation software, the study optimizes PSC performance by analyzing PAL thickness, temperature, and defect density impact on output parameters. PAL thickness analysis reveals that increasing thickness enhances J_SC for MAPbI₃ and MAPbI₂Br, while that of MAPbBr₃ remains steady. V_OC remains constant, and FF and PCE vary with thickness. MAPbI₂Br exhibits the highest efficiency of 22.05% at 1.2 μm thickness. Temperature impact analysis shows J_SC, V_OC, FF, and PCE decrease with rising temperature. MAPbI₂Br-based PSC achieves the highest efficiency of 22.05% at 300 K. Contour plots demonstrate that optimal PAL thickness for the MAPbI₂Br-based PSC is 1.2 μm with a defect density of 1 × 10¹³ cm⁻³, resulting in a PCE of approximately 22.05%. Impedance analysis shows the MAPbBr₃-based PSC has the highest impedance, followed by Cl₂Br-based and I-based perovskite materials. A comparison of QE and J–V characteristics indicates MAPbI₂Br offers the best combination of V_OC and J_SC, resulting in superior efficiency. Overall, this study enhances PSC performance with MAPbI₂Br-based devices, achieving an improved power conversion efficiency of 22.05%. These findings contribute to developing more efficient perovskite solar cells using distinct halide-based perovskite materials.