Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Silicene nanosheet to discriminate the quality of pear fruit based on
  volatiles adsorption --- a DFT application   We report the interaction between the silicene nanosheet (Si-NS) and volatile
organic compounds (VOCs) released from the pear fruit (Pyrus communis) in
ripened and over-ripened stages using density functional theory (DFT)
technique. The geometric stability of Si-NS is studied from the phonon band
structure. Further, the electronic property of Si-NS is studied from the energy
band gap structure, and the energy gap is found to be 0.46 eV, which exhibits
semiconductor property. The outcomes infer that the adsorption of volatiles
released from the pear fruit on silicene nanosheet is in the following order
hexyl acetate $\rightarrow$ butyl acetate $\rightarrow$ butyl butyrate in the
ripened stage whereas in the over-ripened stage the adsorption sequence is
noticed to be acetic acid $\rightarrow$ ethyl acetate $\rightarrow$ 1-butanol.
The adsorption property of pear fruit volatiles on silicene nanosheet is
documented with the adsorption energy, average energy gap changes, and Bader
charge transfer. Moreover, the adsorption of VOCs on silicene nanosheet is also
explored using the energy band structure, electron density along with the
adsorption sites and density of states (DOS) spectrum. Besides, the findings
reveal that the silicene nanosheet can be used to discriminate the quality of
pear fruit.

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The categories of this paper are: cs
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The categories of this paper are: ao-sci
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The categories of this paper are: q-alg
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The categories of this paper are: plasm-ph
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The categories of this paper are: mtrl-th
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The categories of this paper are: hep-th
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The categories of this paper are: astro-ph
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The categories of this paper are: econ
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The categories of this paper are: nucl-ex
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The categories of this paper are: bayes-an
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The categories of this paper are: comp-gas
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The categories of this paper are: patt-sol
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The categories of this paper are: solv-int
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The categories of this paper are: alg-geom
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The categories of this paper are: eess
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The categories of this paper are: atom-ph