TY - EJOUR
AU - Syarif, N.
PY - 2024
DA - February
TI - First principles studies on band structures and density of states of graphite surface oxides
T2 - International Journal of Nano Dimension (Int. J. Nano Dimens.)
VL - 4
L1 - https://oiccpress.com/international-journal-of-nano-dimension/article/first-principles-studies-on-band-structures-and-density-of-states-of-graphite-surface-oxides/
DO - 10.7508/ijnd.2013.01.007
N2 - 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.
IS - 1
PB - OICC Press
KW - Local Density Approximation, First-principles, Density of states, Band Structure, Graphite oxides 
EN -