Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Adsorption of gas molecules on graphene nanoribbons and its implication
  for nano-scale molecule sensor   We have studied the adsorption of gas molecules (CO, NO, NO2, O2, N2, CO2,
and NH3) on graphene nanoribbons (GNRs) using first principles methods. The
adsorption geometries, adsorption energies, charge transfer, and electronic
band structures are obtained. We find that the electronic and transport
properties of the GNR with armchair-shaped edges are sensitive to the
adsorption of NH3 and the system exhibits n type semiconducting behavior after
NH3 adsorption. Other gas molecules have little effect on modifying the
conductance of GNRs. Quantum transport calculations further indicate that NH3
molecules can be detected out of these gas molecules by GNR based sensor.

20
The categories of this paper are: acc-phys
28
The categories of this paper are: alg-geom
7
The categories of this paper are: hep-th
30
The categories of this paper are: q-alg
1
The categories of this paper are: cs
6
The categories of this paper are: astro-ph
2
The categories of this paper are: math
25
The categories of this paper are: patt-sol
29
The categories of this paper are: funct-an
13
The categories of this paper are: quant-ph
37
The categories of this paper are: supr-con
9
The categories of this paper are: nlin
14
The categories of this paper are: math-ph
34
The categories of this paper are: chem-ph
26
The categories of this paper are: bayes-an
12
The categories of this paper are: nucl-th