Numerical Analysis and Design of Hole and Electron Transport Layers in Lead-Free MASnIBr2 Perovskite Solar Cells

Lead-free perovskite solar cells (PSCs) provide a viable alternative to lead-based versions, thereby reducing significant environmental issues related to toxicity. MASnIBr2 has emerged as a very attractive lead-free perovskite material due to its environmentally friendly characteristics and advantageous optoelectronic capabilities. However, more tuning is required to achieve superior conversion efficiencies (PCEs). This study uses SCAPS-1D simulations to systematically develop and optimize the electron and hole transport layers (ETLs/HTLs) in MASnIBr2-based perovskite solar cells (PSCs). Iterative simulations are used to carefully examine and optimize critical parameters, including electron affinity, energy bandgap, layer thickness, and doping density. Additionally, the thickness of the MASnIBr2 absorber layer is optimized to enhance charge extraction and light absorption. Our findings showed a maximum power conversion efficiency of 20.42%, an open-circuit voltage of 1.38 V, a short-circuit current density of 17.91 mA/cm2, and a fill factor of 82.75%. This study establishes a basis for future progress in sustainable photovoltaics and offers essential insights into the design of efficient lead-free perovskite solar cells.