Exploring Fe/S-Doped \text{TiO}_{2} as ETL Using DFT Extracted Parameters in Lead-Free Perovskite Solar Cells

Exploring Fe/S-Doped \text{TiO}_{2} as ETL Using DFT Extracted Parameters in Lead-Free Perovskite Solar Cells

연구 분야: Databases

학회: 2024 IEEE Silchar Subsection Conference (SILCON 2024)

In this work, Bandgap value (Eg), absorption coefficient (\epsilon 2), the effective density of the conduction band (NC), effective density of valence band (NV), electron (\mathrm{V}_{\mathrm{t}\mathrm{h}\mathrm{e}}) thermal velocity, and hole (\mathrm{V}_{\mathrm{t}\mathrm{h}\mathrm{h}}) thermal velocity are extracted using DFT theory. Applying these DFT extracted parameters in the SCAPS-1D simulation software performs a comprehensive solar cell device study using Fe/S-doped \text{TiO}_{2} materials as ETL. The parameters for the absorber layer and the ETL have been optimized. The characteristics of current voltage, quantum efficiency, capacitance-voltage, and capacitance-frequency are presented to enhance solar cells. Fe/S co-doped ETL solar cell efficiency was determined to be 24.92%.