Performance Optimization of Inorganic Cs₂TiBr₆ Based Perovskite Solar Cell via Numerical Simulation

Perovskite solar cells (PSCs) are considered highly efficient and hold great potential for next-generation photovoltaic devices due to their excellent properties. However, there are some challenges that hinder their mass production, such as toxicity in lead-based PSCs, nonstability, and high manufacturing costs. This study aims to address these challenges by proposing a device modeling approach to optimize the design of highly efficient lead-free cesium titanium bromide (Cs2TiBr6) perovskite solar cells. Cs2TiBr6-based perovskite solar cells have low performance due to the lack of suitable electron and hole transport layers. Therefore, this study utilizes numerical simulations in SCAPS-1D to investigate the effect of different parameters, including the doping density of optimized hole and electron transport layers, the thickness of the absorber layer, the N-A/N-D of the absorption layer, and the defect concentration. The study models six different device structures with different hole transport layerss. However, an optimized novel structure device Se/CuSbS2/Cs2TiBr6/IZGO/FTO/Glass has been proposed, with a theoretical power conversion efficiency of 29.19%. This device has a V-OC of 1.33 V, J(SC) of 24.28 mA cm(-2), and FF of 90.46%. Overall, this study demonstrates the potential of Cs2TiBr6 as a promising material for perovskite solar cells, providing a nontoxic, green renewable energy solution for the future.