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Understanding the Combined Effects of Structural and Electronic Parameters in Perovskite Solar Cells

DOI: 10.4236/ampc.2026.165009, PP. 176-190

Keywords: Perovskite, CH3NH3PbI3-xClx, Optimize Performance, SCAPS 1D, Hole Transport Layer

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Abstract:

This article presents a numerical study of three-dimensional halogenated perovskite solar cells based on CH3NH3PbI3-xClx, a benchmark material in high-efficiency photovoltaics. Using SCAPS-1D software, the influence of physical parameters such as thickness, hole mobility, and doping level on the performance of the perovskite solar cell was investigated. The simulations, based on solving the Poisson and continuity equations, show that doping and hole mobility play a decisive role in optimizing the open-circuit voltage and fill factor, while the short-circuit current density is primarily limited by recombination. The model is validated by direct comparison with a published reference device, showing excellent agreement. The results highlight that moderate to high doping levels (1018 to 3 × 1018 cm?3), combined with high mobility and a thickness of approximately 800 nm, optimize performance. Higher doping and the presence of a hole transport layer (HTL) are found to specifically improve VOC and FF, whereas the absorber thickness strongly controls the overall efficiency. The integration of a hole transport layer enhances charge extraction, limits recombination, and enables efficiencies exceeding 20%.

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