Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Theoretical investigation of quantum capacitance in the functionalized
  MoS$_2$-monolayer   In this work, we investigated the electronic structure and the quantum
capacitance of the functionalized MoS$_2$ monolayer. The functionalizations
have been done by using different ad-atom adsorption on Mo$S_2$ monolayer.
Density functional theory calculations are performed to obtain an accurate
electronic structure of ad-atom doped MoS$_2$ monolayer with a varying degree
of doping concentration. The quantum capacitance of the systems was
subsequently estimated. A marked quantum capacitance above 200 $\mu$F/cm$^2$
has been observed. Our calculations show that the quantum capacitance of
MoS$_2$ monolayer is significantly enhanced with substitutional doping of Mo
with transition metal ad-atoms. The microscopic origin of such enhancement in
quantum capacitance in this system has been analyzed. Our DFT-based calculation
shows that generation of new electronic states at the proximity of the
band-edge and the shift of Fermi level caused by the ad-atom adsorption results
in a very high quantum capacitance in the system.

30
The categories of this paper are: q-alg
29
The categories of this paper are: funct-an
28
The categories of this paper are: alg-geom
9
The categories of this paper are: nlin
33
The categories of this paper are: plasm-ph
0
The categories of this paper are: hep-ph
18
The categories of this paper are: econ
7
The categories of this paper are: hep-th
31
The categories of this paper are: ao-sci
21
The categories of this paper are: adap-org
20
The categories of this paper are: acc-phys
22
The categories of this paper are: chao-dyn
16
The categories of this paper are: stat
34
The categories of this paper are: chem-ph
5
The categories of this paper are: gr-qc
25
The categories of this paper are: patt-sol