Theoretical Analysis of Power Conversion Efficiency of Lead-Free Double-Perovskite Cs₂TiBr₆ Solar Cells with Different Hole Transport Layers

In recent years, there has been significant investigation into the high efficiency of perovskite solar cells. These cells have the capacity to attain efficiencies above 14%. As the perovskite materials that include lead pose a substantial environmental risk, components that are free from lead are used during the process of solar cell development. In this work, we use a lead-free double-perovskite material, namely Cs₂TiBr₆, as the main absorbing layer in perovskite solar cells to enhance power conversion efficiency (PCE). This work is centered on the development of solar cell structures with materials such as an ETL (electron transport layer) and an HTL (hole transport layer) to enhance the PCE. In this theoretical work, we perform simulations and analysis on double-perovskite Cs₂TiBr₆ to assess its efficacy as an absorber material in various HTLs like Cu₂O and CuI, with a fixed ETL of C60 using SCAPS (Solar Cell Capacitance Simulator, SCAPS 3.3.10) Software. This is a one-dimensional solar cell simulation program. In this work, the thickness of the double-perovskite material is also varied between 0.2 and 2.0 µm, and its efficiency is observed. The effect of temperature variation on efficiency in the range of 300 K to 350 K is observed. The effect of defect density on efficiency is also observed in the range of 1 × 10¹¹ to 1 × 10¹⁶. In this theoretical work, perovskite solar cells, including their absorbing layer, demonstrate outstanding ETLs and HTLs, respectively. As a result, the cells’ achieved PCE is improved. This work demonstrates the effectiveness of this lead-free double-perovskite structure that absorbs light in perovskite solar cells.