Electronic and Optical Properties of Nanostructures and Its Relationship with Harari Index

• 作者: Ali Asghar Khakpoor Bahare Agahi Keshe
• 来源期刊: 材料科学与化学工程(英文)
• 学科: 医学
• 关键词: NANOSTRUCTURES Harari INDEX ELECTRONIC and OPTICAL Properties GAP Energy Phenacenes
• 年，卷（期）: 2015,（8）
• 页码范围: 1-5
• 页数: 5页
• 分类号: R73

摘要

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.