The New Jersey Institute of Technology's
Electronic Theses & Dissertations Project

Title:	Simulation of electronic and optical properties of graphene
Author:	Leng, Biao
View Online:	njit-etd2015-074 (x, 50 pages ~ 1.5 MB pdf)
Department:	Committee for the Interdisciplinary Program in Materials Science and Engineering
Degree:	Master of Science
Program:	Materials Science and Engineering
Document Type:	Thesis
Advisory Committee:	Ravindra, N. M. (Committee chair) Jaffe, Michael (Committee member) Kaufman, Peter (Committee member) Opyrchal, Halina (Committee member)
Date:	2015-05
Keywords:	Graphene Optical properties Electronic properties
Availability:	Unrestricted
Abstract:	Graphene is a recently discovered two-dimensional crystal. Due to its excellent electronic properties, transport properties, optical properties, and many other features, it has tremendous potential for applications in many areas. This thesis discusses the structure and properties of graphene using several different models of graphene and carries out detailed theoretical studies and calculations of its electronic and optical properties. Using two modules of Materials Studio, CASTAP and Doml3, four graphene models have been constructed. Their electronic and optical properties have also been calculated via these two modules. By comparing the results of calculations with experimental results and the literature, the influence of different structures of these models has been discussed.