Ferrocene Appended Asymmetric Sensitizers with Azine Spacers with phenolic/nitro anchors for Dye-Sensitized Solar Cells

Two extensively conjugated asymmetric ferrocene appended compounds with azine spacers, and phenolic and nitro groups as terminal groups with the following formulas Fc-CH=N-N-CH-p-C6H4-OH (Fc-OH) and Fc-CH=N-N-CH-p-C6H4-NO2 (Fc-NO2) (Fc= ferrocene) have been synthesized and characterized using micro-analyses, FTIR, H-1 and C-13 NMR, UV-Vis and for Fc-NO2 single crystal X-ray diffraction. The structural studies reveal that Fc-NO2 possess an extensively conjugated system where C5H4 (Cp)-CH=N-N=CH-p-C6H4-NO2 is nearly planar which suggest strong electron communication from the ferrocene moiety to the p-C6H4-NO2 group via a -CH=N-N=CH- spacer. Both compounds have been used as sensitizers in titanium oxid based dye-sensitized solar cells (DSSCs) which indicate that amongst both sensitizers the Fc-OH one exhibited a better cell performance with J(SC) 12.91 mA cm(-2), V-OC 0.710 V, eta 5.88% and incident photon to a current conversion efficiency of 53%. Electron injection in the conduction band of the titanium oxide semiconductor have been authenticated with the help of density of states calculations. (C) 2021 Elsevier B.V. All rights reserved.

Automated summary

Two extensively conjugated asymmetric ferrocene-appended compounds with azine spacers have been synthesized and characterized. These compounds were used as sensitizers in dye-sensitized solar cells, with one of them demonstrating better cell performance with higher J(SC), V-OC, and efficiency.