Abstract
Author(s): A. Prakasam,P.Sakthivel andPM. Anbarasan*
In this paper, we use Density Functional Theory (DFT) and TD-DFT theory, to calculate the geometry structure of 2-Ethylbenzonitrile, as well to predict its electronic structures, absorption (UV–Vis) spectra, polarizability, and the HOMO and LUMO orbitals as a possible indication of its usefulness for Organic dye solar cell application.
