TITLE:
Electronic and Optical Properties of Nanostructures and Its Relationship with Harari Index
AUTHORS:
Ali Asghar Khakpoor, Bahare Agahi Keshe
KEYWORDS:
Nanostructures, Harari Index, Electronic and Optical Properties, Gap Energy, Phenacenes
JOURNAL NAME:
Journal of Materials Science and Chemical Engineering,
Vol.3 No.8,
July
16,
2015
ABSTRACT: The topological index of molecular graph is a number that attributed to the molecular graph and
is valid than graph isomorphism, this number can reflect the properties of the molecules. In this
study, Harari index in family phenacenes was calculated with some electronic and optical properties
desired for a number of elements of the family, a model for predicting the electronic and
optical properties by Harari index was prepared. To offer this model using mathematical software,
electronic and optical properties of phenacenes calculated and compared with the data
sources.