Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Chemical functionalization of graphene with defects   Defects change essentially not only electronic but also chemical properties
of graphene being centers of its chemical activity. Their functionalization is
a way to modify electronic and crystal structure of graphene which may be
important for graphene-based nanoelectronics. Using hydrogen as an example, we
have simulated a chemistry of imperfect graphene for a broad class of defects
(Stone-Wales defects, bivacancy, nitrogen substitution impurity, and zigzag
edges) by density functional calculations. We have studied also an effect of
finite width of graphene nanoribbons on their chemical properties. It is shown
that magnetism at graphene edges is fragile with respect to oxidation and,
therefore, a chemical protection of the graphene edges may be required for
application of graphene in spintronics. At the same time, hydrogenation of the
Stone-Wales defects may be a perspective way to create magnetic carbon.

27
The categories of this paper are: comp-gas
13
The categories of this paper are: quant-ph
7
The categories of this paper are: hep-th
36
The categories of this paper are: cmp-lg
19
The categories of this paper are: eess
10
The categories of this paper are: q-bio
14
The categories of this paper are: math-ph
37
The categories of this paper are: supr-con
32
The categories of this paper are: atom-ph
6
The categories of this paper are: astro-ph
20
The categories of this paper are: acc-phys
1
The categories of this paper are: cs
25
The categories of this paper are: patt-sol
9
The categories of this paper are: nlin
28
The categories of this paper are: alg-geom
30
The categories of this paper are: q-alg