2D Dion Jacobson/3D perovskite heterojunction solar cells without hole transport layer: Further optimize the performance by SCAPS-1D

Abstract

The global energy demand is steadily increasing, prompting a widespread focus on renewable energy sources such as solar, wind, hydro, and biomass. Perovskite solar cells (PSCs) have gained considerable attention due to their remarkably high power conversion efficiency (PCE). The Dion-Jacobson (DJ) type two-dimensional layered perovskite material, lacking interlayer van der Waals interaction, enhances device stability significantly. Simultaneously, the heterojunction structure formed by MAPbI3 improves power conversion efficiency (PCE) while maintaining high stability. This study employs 2D Dion Jacobson/3D perovskite heterojunction solar cells for further optimization through simulation analysis using SCAPS-1D (Solar Cells capacitance simulator). The intrinsic impact of heterojunction perovskite solar cells is identified, and appropriate physical parameters are adjusted to approximate experimental results. Optimization variables include absorption layer thickness, absorption layer band gap, interface defect layer thickness, back contact material, and electron transport layer material, all influencing device performance differently. Determining the ideal absorption layer thickness based on absorption characteristics, a hole-free transport layer structure is adopted in this work to reduce production costs and process complexity. To enhance the responsiveness of DJ type two-dimensional layered perovskite materials to various light wavelengths and improve PCE, the simulation employs 3D graphics to optimize variables such as the absorption layer's band gap. The highest PCE achieved is 27.42 %. Additionally, the study explores device performance in a low-temperature operating environment (265 ∼ 325 K). At 265 K, the PCE and fill factor (FF) are 29.37 % and 85.45 %, respectively, indicating that 2D Dion Jacobson/3D perovskite heterojunction solar cells exhibit structural stability and high efficiency at low temperatures compared to other PSCs. These findings suggest promising practical applications in the fields of photovoltaics and optoelectronics.