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Electronic and Optical Properties of Nanostructures and Its Relationship with Harari Index
Department of Physics, Islamic Azad University-Central Tehran Branch (IAUCTB), Tehran, Iran
Department of Physics, Islamic Azad University-Central Tehran Branch (IAUCTB), Tehran, Iran
- 1 Department of Physics, Islamic Azad University-Central Tehran Branch (IAUCTB), Tehran, Iran
- 2 Department of Physics, Islamic Azad University-Central Tehran Branch (IAUCTB), Tehran, Iran
Journal of Materials Science and Chemical Engineering·Volume 03 (2015)·Pages 1–5·Published 16 July 2015·DOI10.4236/msce.2015.38001
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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.
KeywordsNanostructuresHarari IndexElectronic and Optical PropertiesGap EnergyPhenacenes
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