Synthesis, spectral characterizations, molecular geometries and electronic properties of phenothiazine based organic dyes for dye-sensitized solar cells

A number of organic dye compounds is developed and used as dye-sensitized solar cells in order to produce cost-effective devices and enhance cell performance. In this aspect, phenothiazine based organic dye compounds such as (E)-3-(7-bromo-10-phenyl-10H-phenothiazine-3-yl) acrylic acid and (E)-3(7-bromo-10-phenyl-10H-phenothiazine-3-yl)-2-cyanoacrylic acid have been synthesized. The synthesized dye compounds have been characterized through Fourier-transform infrared, Fourier-transform Raman and nuclear magnetic resonance spectroscopic method. The Ultraviolet-Visible spectra were recorded and electronic features were discussed with the theoretically calculated bands using time-dependent density functional theory. Frontier molecular orbital, natural bond orbital and non-linear optical properties have been calculated for these compounds using density functional theory. The photosensitization properties such as light harvesting efficiency and electron injection driving force (Delta G(inject)) have also been discussed.

Automated summary

Several organic dye compounds have been developed for dye-sensitized solar cells in order to enhance cell performance, and have been characterized and discussed using various spectroscopic methods.