화학공학소재연구정보센터
Chemical Physics Letters, Vol.498, No.1-3, 157-161, 2010
Buckled graphene: A model study based on density functional theory
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.