Effect of doping of graphene either by Boron (B), Nitrogen (N) or co-doped by
B and N is studied using density functional theory. Our extensive band
structure and density of states calculations indicate that upon doping by N
(electron doping), the Dirac point in the graphene band structure shifts below
the Fermi level and an energy gap appears at the high symmetric K-point. On the
other hand, by B (hole doping), the Dirac point shifts above the Fermi level
and a gap appears. Upon co-doping of graphene by B and N, the energy gap
between valence and conduction bands appears at Fermi level and the system
behaves as narrow gap semiconductor. Obtained results are found to be in well
agreement with available experimental findings.Comment: 11 pages, 4 figures, 1 table, submitted to J. Nanopart. Re