%0 Journal Article
%T First principles studies on band structures and density of states of graphite surface oxides
%J International Journal of Nano Dimension
%I Islamic Azad University-Tonekabon Branch
%Z 2008-8868
%A Syarif, N.
%D 2013
%\ 08/01/2013
%V 4
%N 1
%P 57-62
%! First principles studies on band structures and density of states of graphite surface oxides
%K Graphite oxides
%K Band Structure
%K Density of states
%K Local Density Approximation
%K First-principles
%R 10.7508/ijnd.2013.01.007
%X Graphite oxide constitutes carbon network with oxygen atoms both on hexagonal arrangement and the edge sites. Structural and electronic properties for graphite-oxygen complexes have been explored using ﬁrst-principles total-energy calculations within the local density approximation (LDA). Band structures and density of states for the propose carbon 3D models are reported. A ﬁnite energy gap and planarity of graphene layer emerges for the oxygen-functionalized graphite, therefore its value varies with the ratio of carbon to oxygen and sites on carbon network.
%U http://www.ijnd.ir/article_632693_72b7ee3ea6b194ce016ea4004561faa5.pdf