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Buckled graphene: A model study based on density functional theory
Journal article   Peer reviewed

Buckled graphene: A model study based on density functional theory

M. A. Khan, M. A. Mukaddam and U. Schwingenschloegl
Chemical physics letters, Vol.498(1-3), pp.157-161
30/09/2010

Abstract

Chemistry Chemistry, Physical Physical Sciences Physics Physics, Atomic, Molecular & Chemical Science & Technology
We make use of ab initio calculations within density functional theory to investigate the influence of buckling on the electronic structure of single layer graphene. Our systematic study addresses a wide range of bond length and bond angle variations in order to obtain insights into the energy scale associated with the formation of ripples in a graphene sheet. (C) 2010 Elsevier B. V. All rights reserved.

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