Optimization and design of an efficient MASnIBr₂-based perovskite solar cell
摘要
Lead-free perovskite solar cells (PSC) provide a practical pathway to address the toxicity concerns associated with conventional lead-based devices. Within this class, MASnIBr₂ stands out as a promising absorber, pairing an environmentally considerate composition with favorable optoelectronic properties suited to efficient light harvesting. It shows significant promise for optoelectronic applications as their stability and efficiency in solar energy harvesting are enhanced. Translating these intrinsic advantages into truly competitive efficiencies, however, still requires careful device-level refinement, most notably the judicious tuning of transport-layer selection, thickness, and doping to enhance device performance. In this study we present a design-driven, lead-free perovskite solar cell based on the Au/CBTS/MASnIBr2/ZnO/ITO architecture and optimized through physics-based SCAPS-1D simulations. Using systematic parameter sweeps, we map how transport-layer thickness and doping govern the photovoltaic response. The analysis converges on clear targets: a CBTS thickness of 100 nm with a doping density of 1020 cm− 3, a ZnO thickness of 50 nm with a doping density of 1017 cm− 3, and an absorber thickness of 500 nm. Under these jointly optimized conditions, the simulated device delivers a power-conversion efficiency (PCE) of 19.97%, with an open-circuit voltage (Voc) of 1.36 V, a short-circuit current density (Jsh) of 17.93 mA/cm2, and a fill factor (FF) of 81.64%. These results highlight the promise of MASnIBr2 when paired with carefully engineered and provide a quantitative framework for guiding experimental validation and future optimization of sustainable, lead-free perovskite photovoltaics.