Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Computational Design of Chemical Nanosensors: Metal Doped Carbon
  Nanotubes   We use computational screening to systematically investigate the use of
transition metal doped carbon nanotubes for chemical gas sensing. For a set of
relevant target molecules (CO, NH3, H2S) and the main components of air (N2,
O2, H2O), we calculate the binding energy and change in conductance upon
adsorption on a metal atom occupying a vacancy of a (6,6) carbon nanotube.
Based on these descriptors, we identify the most promising dopant candidates
for detection of a given target molecule. From the fractional coverage of the
metal sites in thermal equilibrium with air, we estimate the change in the
nanotube resistance per doping site as a function of the target molecule
concentration assuming charge transport in the diffusive regime. Our analysis
points to Ni-doped nanotubes as candidates for CO sensors working under typical
atmospheric conditions.

7
The categories of this paper are: hep-th
5
The categories of this paper are: gr-qc
28
The categories of this paper are: alg-geom
31
The categories of this paper are: ao-sci
18
The categories of this paper are: econ
24
The categories of this paper are: dg-ga
37
The categories of this paper are: supr-con
3
The categories of this paper are: physics
35
The categories of this paper are: mtrl-th
25
The categories of this paper are: patt-sol
11
The categories of this paper are: hep-lat
1
The categories of this paper are: cs
6
The categories of this paper are: astro-ph
12
The categories of this paper are: nucl-th
36
The categories of this paper are: cmp-lg
14
The categories of this paper are: math-ph