Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Methylbenzenes on graphene   We present a theory study of the physisorption of the series of
methylbenzenes (toluene, xylene and mesitylene), as well as benzene, on
graphene. This is relevant for the basic understanding of graphene used as a
material for sensors and as an idealized model for the carbon in active carbon
filters. The molecules are studied in a number of positions and orientations
relative graphene, using density functional theory with the van der Waals
functional vdW-DF. We focus on the vdW-DF1 and vdW-DF-cx functionals, and find
that the binding energy of the molecules on graphene grows linearly with the
number of methyl groups, at the rate of 0.09 eV per added methyl group.

34
The categories of this paper are: chem-ph
7
The categories of this paper are: hep-th
9
The categories of this paper are: nlin
20
The categories of this paper are: acc-phys
1
The categories of this paper are: cs
17
The categories of this paper are: q-fin
13
The categories of this paper are: quant-ph
25
The categories of this paper are: patt-sol
11
The categories of this paper are: hep-lat
28
The categories of this paper are: alg-geom
18
The categories of this paper are: econ
2
The categories of this paper are: math
30
The categories of this paper are: q-alg
37
The categories of this paper are: supr-con
31
The categories of this paper are: ao-sci
5
The categories of this paper are: gr-qc