Efficiency Optimization of a Solar Cell Structure Containing a Two-Dimensional Ba₂PbI₄ Perovskite Layer

Abstract

As the power conversion efficiency (PCE) of perovskite solar cells rapidly increases, the low stability of 3D perovskites against moisture, light, and heat remains as a significant challenge. In this study, it is aimed to enhance the stability and performance of a 3D perovskite solar cell structure including 2D perovskite layers. Using SCAPS-1D software, an NIP-type solar cell in the structure of FTO/SnO₂/3D Perovskite/2D Perovskite/NiO/Au was modele and simulated under AM1.5G solar spectrum and 300 K ambient temperature. The optimal electron transport layer (ETL) and hole transport layer (HTL) materials were obtained as tin dioxide (SnO₂) and nickel oxide (NiO), respectively. The simulations were also revealed that increasing the 3D perovskite layer thickness enhances short circuit current (Jsc) but reduces open-circuit voltage (Voc) and fill factor (FF) and increasing the thickness of the 2D perovskite layer adversely affects performance of the cell. Additionally, it was observed that higher defect density in the 3D perovskite layer significantly degrades solar cell performance. In the optimized design, a structure comprising a 3D perovskite layer with a thickness of 900 nm and a 2D perovskite layer of 9 nm was achieved Voc of 1.40 V, Jsc of 25.59 mA/cm², FF of 79.59%, and PCE of 28.58%. This innovative approach, which has been explored in only a limited number of studies, offers significant improvements in the efficiency and stability of solar cells. The high performance values obtained in this study demonstrate notable advancements compared to existing literature.