Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Adsorption of molecular oxygen on doped graphene: atomic, electronic and
  magnetic properties   Adsorption of molecular oxygen on B-, N-, Al-, Si-, P-, Cr- and Mn-doped
graphene is theoretically studied using density functional theory in order to
clarify if O2 can change the possibility of using doped graphene for gas
sensors, electronic and spintronic devices. O2 is physisorbed on B-, and Ndoped
graphene with small adsorption energy and long distance from the graphene
plane, indicating the oxidation will not happen; chemisorption is observed on
Al-, Si-, P-, Cr- and Mn-doped graphene. The local curvature caused by the
large bond length of X-C (X represents the dopants) relative to CC bond plays a
very important role in this chemisorption. The chemisorption of O2 induces
dramatic changes of electronic structures and localized spin polarization of
doped graphene, and in particular, chemisorption of O2 on Cr-doped graphene is
antiferromagnetic. The analysis of electronic density of states shows the
contribution of the hybridization between O and dopants is mainly from the p or
d orbitals. Furthermore, spin density shows that the magnetization locates
mainly around the doped atoms, which may be responsible for the Kondo effect.
These special properties supply a good choice to control the electronic
properties and spin polarization in the field of graphene engineering.

32
The categories of this paper are: atom-ph
18
The categories of this paper are: econ
7
The categories of this paper are: hep-th
33
The categories of this paper are: plasm-ph
2
The categories of this paper are: math
17
The categories of this paper are: q-fin
11
The categories of this paper are: hep-lat
14
The categories of this paper are: math-ph
34
The categories of this paper are: chem-ph
21
The categories of this paper are: adap-org
3
The categories of this paper are: physics
22
The categories of this paper are: chao-dyn
37
The categories of this paper are: supr-con
9
The categories of this paper are: nlin
29
The categories of this paper are: funct-an
23
The categories of this paper are: solv-int