Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Mechanical response of all-MoS2 single-layer hetrostructures: A ReaxFF
  investigation   Molybdenum disulfide (MoS2) is a highly attractive 2D material due to its
interesting electronic properties. Recent experimental advances confirm the
possibility of further tuning the electronic properties of MoS2 through the
fabrication of single-layer heterostructures consisting of semiconducting (2H)
and metallic (1T) MoS2 phases. Nonetheless, despite significant technological
and scientific interest, there is currently limited information concerning the
mechanical properties of these heterostructure systems. This investigation aims
to extend our understanding of the mechanical properties of all-MoS2
single-layer structures at room temperature. This goal was achieved by
performing extensive classical molecular dynamics simulations using a recently
developed RexFF forcefield. We first studied the direction dependent mechanical
properties of defect-free 2H and 1T phases. Our modelling results for pristine
2H MoS2 were found to be in good agreement with the experimental tests and
first-principles theoretical predictions. We also discuss the mechanical
response of 2H/1T single layer heterostructures. Our reactive molecular
dynamics results suggest all-MoS2 heterostructures as suitable candidates to
provide a strong and flexible material with tuneable electronic properties.

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The categories of this paper are: comp-gas
5
The categories of this paper are: gr-qc
29
The categories of this paper are: funct-an
35
The categories of this paper are: mtrl-th
0
The categories of this paper are: hep-ph
11
The categories of this paper are: hep-lat
7
The categories of this paper are: hep-th
18
The categories of this paper are: econ
16
The categories of this paper are: stat
2
The categories of this paper are: math
19
The categories of this paper are: eess
13
The categories of this paper are: quant-ph
6
The categories of this paper are: astro-ph
3
The categories of this paper are: physics
9
The categories of this paper are: nlin
36
The categories of this paper are: cmp-lg