Formation, Energetics, and Electronic Properties of Graphene Monolayer and Bilayer Doped with Heteroatoms

Figure 4

Energy-band structures of (a) pristine, (b) B-doped, (c) N-doped graphenes, and the isosurfaces of electron-state densities related to (d) B and (e) N defects in monolayer graphene. The isosurface value of electron density is set to 0.03 electron/ų. The Fermi energy is set to be zero. The energy bands of the pristine graphene are plotted using 1 × 1 unit cell, whereas those of B(N-) doped graphene are plotted using 4 × 4 supercell.

(a)

(b)

(c)

(d)

(e)