SCAPS‐1D Modeling and Optimization of Perovskite Solar Cells With Inorganic Cu ₂ O Hole‐Transport Layers for Enhanced Performance

This study presents a detailed simulation model of a perovskite solar cell (PSC) developed using the SCAPS (Solar Cell Capacitance Simulator) software, aiming to enhance photovoltaic technology performance. In this work, the model incorporates CH ₃ NH ₃ PbI ₃ as the perovskite absorber layer, PCBM (phenyl‐C ₆₁ ‐butyric acid methyl ester) as the electron‐transport material, and Cu ₂ O as the hole‐transport material. This combination was selected based on its suitability for achieving efficient charge transport in CH ₃ NH ₃ PbI ₃ ‐based PSCs. The optimization process investigated how changes in layer thickness, defect density, and doping concentration influence carrier recombination and device output parameters, providing a deeper understanding of performance‐limiting factors. The simulated device achieves impressive performance metrics, including an open‐circuit voltage of 1.4807 V, a short‐circuit current density of 25.13 mA/cm ² , a fill factor of 86.95%, and a maximum power conversion efficiency of 32.36%. This work addresses a key challenge in PSCs by improving charge transport and enabling better stability by using robust inorganic Cu ₂ O as the hole‐transport layer (HTL). Cu ₂ O is chosen here as an alternative to conventional organic HTLs due to its low cost and excellent thermal stability. Notably, the efficiency of the PSC has been significantly improved compared to previous models, mainly through the optimization of key material properties. This simulation study serves as a valuable tool for guiding the development of PSCs, offering both design strategies and a deeper understanding of the factors governing high energy conversion efficiency.