Optimization and Performance Evaluation of Cs$_2$CuBiCl$_6$ Double Perovskite Solar Cell for Lead-Free Photovoltaic Applications (2502.16850v1)

Abstract: In the previous decade, there has been a significant advancement in the performance of perovskite solar cells (PSCs), characterized by a notable increase in efficiency from 3.8% to 25%. Nonetheless, PSCs face many problems when we commercialize them because of their toxicity and stability. Consequently, lead-PSCs need an alternative solar cell with high performance and low processing cost; lead-free inorganic perovskites have been explored. Recent research showcased Cs$_2$CuBiCl$_6$, a lead-free inorganic double perovskite material with remarkable photoelectric characteristics and exceptional environmental robustness. To investigate the potential of Cs$_2$CuBiCl$_6$ material, the solar cell structure FTO/ETL/Cs$_2$CuBiCl$_6$/HTL/Au was used and analyzed through a solar cell capacitance simulator (SCAPS-1D). CeO$_2$ is used as the Electron transport layer (ETL), and CuI is the Hole transport layer (HTL). Furthermore, the research examined the optimization of different parameters of the absorber layer (AL), such as thickness, defect density, electron affinity, band gap, and operational temperature. In the end, it has been noticed that by setting the temperature at 300 K and an electron affinity of 4.3 eV of the absorber layer, the PSCs achieve the highest efficiency of 24.51 %, FF of 43.01 %, Voc of 1.73V, and Jsc of 32.82mA/cm$^2$. This is the highest Cs$_2$CuBiCl$_6$ double PSCs efficiency we've reached yet. In theoretical studies, 17.03% of PCE was achieved using Cs$_2$CuBiCl$_6$ as an active layer. The analysis underscores the significant potential of Cs$_2$CuBiCl$_6$ as an absorbing layer in developing highly efficient lead-free all-inorganic PSCs.