Open-Circuit Voltage Degradation by Dye Mulliken Electronegativity in Multi-Anchor Organic Dye-Based Dye-Sensitized Solar Cells

• DOI: 10.1021/acsaem.2c01059
• Publication Date: 2022-06-07T20:05:34Z
• Authors: Catalin-Paul Cons...; Mariana-Dana Dama...; Mihai Mihaila; Mihaela Kusko
• Keywords: Electronegativity; Triphenylamine; Mulliken population analysis; Acceptor; Open-circuit voltage; HOMO/LUMO; Phenoxazine; Electron acceptor

Four dyes consisting of a phenoxazine–triphenylamine double-donor assembly, on which one to four cyanoacrylic acid acceptor groups were grafted, have been synthesized and characterized. The UV–vis measurements revealed complex intramolecular charge transfer, feature supported by the density functional theory calculations. We found that both highest occupied molecular orbitals lowest unoccupied negatively shift as more anchors are attached donor core, leading an increase dye Mulliken absolute electronegativity. Dye-sensitized solar cell batches impregnated with two different electrolytes fabricated dyes. Their open-circuit voltage was decrease in anchor number due electron interception electrolyte. participation is deduced from Bode diagrams dark current analysis. Moreover, Nyquist spectra structure affects diffusion TiO2. show electronegativity responsible for modulation diffusion, stands mechanism catalyzes Consequently, core identified cause degradation observed experimentally.