Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Transport properties of n-phenyldithiols system anchored on Cu[111]
  metallic contacts   Conjugated molecules are materials which are widely studied and developed for
molecular electronic technologies focusing on single molecule devices. In this
paper we observed the molecular conductance of single molecule based on n
phenyl ring systems with linker thiol (Sulfur) anchored on Cu[111] contacts.
The non equilibrium Greens function (NEGF) implemented in density functional
tight binding (gDFTB) is used to investigate the transport properties. Our
result showed that, increase of the phenyl ring will decrease the HOMO LUMO
energy gap. However, the conductance is decrease. The energy level of the
molecule (isolated molecule) broadens and shifts after anchoring to the Cu[111]
contacts.

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The categories of this paper are: hep-ph
7
The categories of this paper are: hep-th
23
The categories of this paper are: solv-int
15
The categories of this paper are: nucl-ex
30
The categories of this paper are: q-alg
19
The categories of this paper are: eess
2
The categories of this paper are: math
25
The categories of this paper are: patt-sol
5
The categories of this paper are: gr-qc
8
The categories of this paper are: hep-ex
6
The categories of this paper are: astro-ph
33
The categories of this paper are: plasm-ph
9
The categories of this paper are: nlin
16
The categories of this paper are: stat
22
The categories of this paper are: chao-dyn
3
The categories of this paper are: physics