Figure 3
From: Restoration of thermally reduced graphene oxide by atomic-level selenium doping
Density functional theory calculations for the configuration of selenium on rGO. (a) Various possible adsorption sites on defected graphene (1 – atom, 2 – bridge, 3 – ring center, 4 – hole defect, and 5 – edge) and (b) Se adsorption energies thereon. (c) DOS of Se-terminated GNR (scarlet) and PDOS of Se (navy), and (d) DOS of H-terminated GNR. The dashed lines in c, d indicate the Fermi level, while the occupied energy levels are filled in color.
