QUANTUM EFFICIENCY OF 3,5-DIMETHYL PYRIDINE 2-CARBONITIRLE FOR DYE SENSITIZED SOLAR CELL AND VIBRATIONAL SPECTRAL ANALYSIS OF THE DYE MOLECULE

Uthaya Kumar.B, G.Meenakshi, S.Ramadasse

Abstract: Dye-sensitized solar cells (DSSC) attain consideration because of their sky-scraping light to electricity conversion efficiencies, simple and low cost manufacturing. Fruitful efficiency of a DSSC is that it should convert photon into current even at wavelength of UV. Present work aimed at quantum efficiency ( Light Harvesting Efficiency) of 3,5-dimethyl pyridine 2-carbonitirle. Density functional theory (DFT) has been used to determine the ground state geometries of dye 3,5-dimethyl pyridine 2-carbonitirle. The time dependant density functional theory (TDDFT) has been used to calculate the excitation energies. All the calculations were performed in both gas and solvent phase. The improved light harvesting efficiency (LHE) and free energy change of electron injection of newly designed sensitizers revealed that these materials would be an excellent sensitizers. It may also be due to dendrites of methyl group and cyno group which is present in the study material. The experimental spectrum of FTIR and FTRaman supports the absorption levels.

Keywords: 3,5-dimethyl pyridine 2-carbonitirle,Dye-sensitized solar cells, Light harvesting efficiency, Density functional Theory, FTIR, FT-Raman spectroscopy

DOI: https://doi.org/10.15623/ijret.2014.0301043