Akademik Veri Yönetim Sistemi
Journal of Fluorescence, 2025 (SCI-Expanded)
This study comprehensively investigates the photovoltaic performance and quantum chemical properties of newly synthesized azo dye-sensitized solar cells. A series of azo-aldehyde ligands, (E)-2-hydroxy-5-(p-tolydiazenyl)benzaldehyde (5), (E)-5-((4-fluorophenyl)diazenyl)-2-hydroxybenzaldehyde (6), (E)-5-((4-(tert-butyl)phenyl)diazenyl)-2-hydroxybenzaldehyde (7), (E)-2-hydroxy-5-(mesityldiazenyl)benzaldehyde (8) and their solar cells were fabricated. The ligand structures were elucidated by 13C-NMR, 1H-NMR, FTIR, UV–Visible spectroscopy. In organic dye sensitized solar cells, these azo dyes were used as sensitizers. TiO2 film deposited on FTO conductive glass by doctor blade method was characterized by UV–Vis, FT-IR, FE-SEM and EDX analysis. Current–voltage (I-V) properties of solar cells were measured by a solar simulator. DSSCs used in our study were simple and inexpensive to produce. In the presence of an electron-withdrawing group such as 4-fluoroaniline, the highest efficiency was obtained with η (%) = 0.42 with Ligand 6, while the lowest efficiency was observed with η (%) = 0.32 with ligand 5. The chemical structure of the molecules was calculated using the density functional system (DFT) implemented in the Gaussian 16 W program [1]. HOMO and LUMO energies of ligands 5–8 were calculated at the theoretical level studied in the gas phase. Dipole moments were found to be in the range of 1,95081–5,861112 μ.