Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Predicting the Energetic Stabilization of Janus-MoSSe/AlN
  Heterostructures: A DFT Study   The packing mechanisms between Janus-MoSSe and Aluminum-Nitride (AlN) sheets
were systematically investigated by using Density Function Theory calculations.
Results show that the stabilization (packing) energies vary from -35.5 up to
-17.5 meV depending on the chemical species involved in the interface. The
packing energies were obtained using the improved Lennard-Jones (ILJ)
potential. The SeMoS/AlN heterostructures, when the MoS face is interacting
with the AlN sheet, presented the lowest packing energies due to the sulfur's
higher degree of reactivity. Importantly, the calculated bandgap values ranged
within the interval 1.61-1.87 eV, which can be interesting for photovoltaic
applications.

35
The categories of this paper are: mtrl-th
20
The categories of this paper are: acc-phys
25
The categories of this paper are: patt-sol
18
The categories of this paper are: econ
15
The categories of this paper are: nucl-ex
8
The categories of this paper are: hep-ex
3
The categories of this paper are: physics
21
The categories of this paper are: adap-org
27
The categories of this paper are: comp-gas
11
The categories of this paper are: hep-lat
24
The categories of this paper are: dg-ga
26
The categories of this paper are: bayes-an
17
The categories of this paper are: q-fin
31
The categories of this paper are: ao-sci
14
The categories of this paper are: math-ph
34
The categories of this paper are: chem-ph