%0 Journal Article
%T Electronic Properties of NbSe2 over Graphene: A Meticulous Theoretical Analysis
%A Donald Homero Galvan
%A Joel Ant¨²nez-Garc¨Şa
%A Sergio Fuentes Moyado
%J Open Access Library Journal
%V 4
%N 5
%P 1-9
%@ 2333-9721
%D 2017
%I Open Access Library
%R 10.4236/oalib.1103512
%X <div style="text-align:justify;">
	<span style="line-height:1.5;">This investigation deals with
a consensus electronic property analyses, for NbSe</span><sub>2</sub><span style="line-height:1.5;"> over graphene
using Density Functional Theory. Depending on how you construct your initial
system under investigation, either starting with Armchair, Chiral or Zig-zag
for a graphene layer, final different results for the electronic properties
should be anticipated. It is critical to take in consideration the </span><i style="line-height:1.5;">brim</i><span style="line-height:1.5;"> edges effect in the initial
conditions becaus</span><span style="line-height:1.5;">e different final results will be obtained. Energy bands and charge density
profiles will be presented for each case under study. For pristine graphene E</span><sub>g</sub><span style="line-height:1.5;"> (forbidden energy gap between the Valence and Conduction bands) of 0.24 eV
(Armchair), 0.19 eV (Chiral) and 0.13 eV (Zig-zag) were obtained respectively.
In addition, defect on the structure (vacany defect) was considered, in order
to simulate a </span><i style="line-height:1.5;">real scenario</i><span style="line-height:1.5;"> which
could be compared to an experimental result while constructing graphene-defect-NbSe</span><sub>2</sub><span style="line-height:1.5;"> system. To our knowledge, this is the first time that such a kind of investigation
is presented.</span>
</div>
%K Density Functional Theory
%K Armchair
%K Chiral
%K Zig-Zag
%K Energy Bands
%U http://www.oalib.com/paper/5284553