Theoretical study of an environmentally friendly emerging BaSi2-based solar cell via diverse charge carrier transport materials

The field of photovoltaics has recently focused attention on new environmentally friendly solar energy materials based on earth-abundant elements, such as barium disilicide (BaSi₂). The current study sought to examine the performance of a BaSi₂-based solar cell with distinct charge transport layers (electron transport layer (ETL) and hole transport layer (HTL)) utilizing the SCAPS-1D simulation software. The results indicate that the extremely high negative conduction band offset primarily affects the fill factor. The Al/FTO/ZnOS-ETL/BaSi 2 :B/P3HT-HTL/Cu solar cell demonstrates the optimal photovoltaic performance and stability, with a PCE of 33.04% and a TC value of −0.092%/K, respectively. Our investigation into the impact of BaSi₂ absorber thickness indicates that a thicker layer enhances light absorption. Conversely, to ensure efficient charge collection, a thinner layer is necessary. Consequently, the diffusion length of these carriers is directly correlated to the layer thickness. Furthermore, our observations indicate that the cell open-circuit voltage increases more rapidly as the R SH increases, thereby preventing power loss. However, the short-circuit current density is more sensitive to higher R S than R SH . This study represents a significant contribution and a clear guideline for future research on non-toxic, cheaper, and environmentally friendly single-junction thin-film solar cells.