Date of Award

Spring 2015

Document Type

Thesis

Degree Name

Master of Science in Materials Science and Engineering - (M.S.)

Department

Committee for the Interdisciplinary Program in Materials Science and Engineering

First Advisor

N. M. Ravindra

Second Advisor

Michael Jaffe

Third Advisor

Halina Opyrchal

Fourth Advisor

Balraj Subra Mani

Fifth Advisor

Willis B. Hammond

Abstract

The two-dimensional (2D) monolayer structure of carbon atoms were initially considered as unstable. The 2D materials have recently been discovered and many researchers have started analyzing these materials. Graphene, a two-dimensional allotrope of graphite with sp2 bonded carbon atoms, is arranged in honeycomb structure. Graphene has excellent thermal conductivity and can be considered as a potential material for applications in the electronics industry where heating of materials is a serious concern.

In this study, thermal properties of p and n doped graphene nanosheets and nanoribbons are studied as function of percentage composition of the dopants and the direction of dissipation of heat flux. Phonon dispersion spectra are presented for these structures using Materials Studio. Non- Equilibrium Molecular Dynamics simulation has been implemented for the calculations.

Structures of doped graphene are modeled using Density Functional Theory to study the phonon dispersion. The specific heat of pristine and doped graphene structures are reported.

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