• Numbury surendra babu
• Said H.Vuai

To get compelling sensitizer, a progression of D-π-A metal free dyes has been planned by altering the giving and acceptor gathering. In the present research article to approach to manage improving the execution of coumarin dye photosensitizers are the differences in different acceptor gatherings and depicted hypothetically. The photoelectrical properties of Coumarin based Dyes as sensitizers of dye-sensitized solar cells were investigated through density functional theory (DFT) and time-dependent (TD-DFT). The key parameters including the light harvesting efficiency (LHE), the driving force of electron injection (∆Ginject) and dye regeneration (∆Gregen), the total dipole moment (µnormal), and the excited state lifetime(τ)were investigated, which are closely related to the short-circuit current density(Jsc) and open circuit voltage(Voc).We give the electronic structure and simulated UV-Vis spectra of the dyes and the HOMO and LUMO orbital electron densites and investigate the electron exchange from the dye to the semiconductor titanium dioxide (TiO2). Likewise, these novel sensitizers would be a promising contender for upgrading the execution of the DSSCs.

Coumarin dye dyes, DFT/TDDFT, Absorption spectra, HOMO and LUMO energies, optoelectronic properties

"Density Functional Theory (DFT) Studies of electronic structures and photoelectrical properties of Coumarin-based Dyes—Applications to Dye-Sensitized Solar Cells", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.6, Issue 1, page no.81-100, January-2019, Available :http://www.jetir.org/papers/JETIR1901A14.pdf

"Density Functional Theory (DFT) Studies of electronic structures and photoelectrical properties of Coumarin-based Dyes—Applications to Dye-Sensitized Solar Cells", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.6, Issue 1, page no. pp81-100, January-2019, Available at : http://www.jetir.org/papers/JETIR1901A14.pdf