%0 Journal Article
%T Electronic Properties of M<sub>o(1݁x)</sub>W<sub>(x)</sub>S<sub>2</sub>-Ni Grown over Graphene
%A D. H. Galvan
%A J. Antunez-Garcia
%A S. Fuentes
%A M. Shelyapina
%J Open Access Library Journal
%V 5
%N 3
%P 1-12
%@ 2333-9721
%D 2018
%I Open Access Library
%R 10.4236/oalib.1104335
%X <div style="text-align:justify;">
	<span style="line-height:1.5;">A proposal of the
theoretical adsorption of 2H-Mo</span><sub>(1݁x)</sub><span style="line-height:1.5;">W</span><sub>(x)</sub><span style="line-height:1.5;">S</span><sub>2</sub><span style="line-height:1.5;">-Ni over
graphene using extended H¨ıckel tight-binding method was investigated. It is
well known that a theoretical prior investigation is well accepted by the
scientific community due to that
provides information regarding electronic as well as magnetic properties of the
material under investigation. Energy bands for 2H-Mo</span><sub>(1<span style="line-height:15px;text-align:justify;white-space:normal;">݁</span>x)</sub><span style="line-height:1.5;">W</span><sub>(x)</sub><span style="line-height:1.5;">S</span><sub>2</sub><span style="line-height:1.5;">-Ni
indicate a soft metal</span><span style="line-height:1.5;">, while graphene with oxygen vacancies and 2H-Mo</span><sub>(1<span style="line-height:15px;text-align:justify;white-space:normal;">݁</span>x)</sub><span style="line-height:1.5;">W</span><sub>(x)</sub><span style="line-height:1.5;">S</span><sub>2</sub><span style="line-height:1.5;">-Ni
yields indication of a semiconductor behavior with a measured energy gap E</span><sub>g</sub><span style="line-height:1.5;">~0.98
eV between the Valence and Conduction bands respectively. In addition, an
electronic charge transfer from 2H-Mo</span><sub>(1<span style="line-height:15px;text-align:justify;white-space:normal;">݁</span>x)</sub><span style="line-height:1.5;">W</span><sub>(x)</sub><span style="line-height:1.5;">S</span><sub>2</sub><span style="line-height:1.5;">-Ni
toward graphene is presented. The new hybrid system presents high dispersion of
2H-Mo</span><sub>(1<span style="line-height:15px;text-align:justify;white-space:normal;">݁</span>x)</sub><span style="line-height:1.5;">W</span><sub>(x)</sub><span style="line-height:1.5;">S</span><sub>2</sub><span style="line-height:1.5;">-Ni on graphene. Total and
partial Density of States yield indication that an enhancement of the
contribution to the total DOS, in the vicinity of the Fermi level for the
structure over graphene has occurred, when compared to 2H-MoS</span><sub>2</sub><span style="line-height:1.5;"> original. These results could indicate that the new proposed system could be
used as a catalyst for HDS in the petrochemical industry.</span> 
</div>
%K M<sub>o</sub>S<sub>2</sub> Clusters
%K Graphene
%K Extended H¨ıckel
%K Energy Bands
%K TDOS
%U http://www.oalib.com/paper/5293070