Table 1 Corresponding calculated total energies of the system at different adsorption sites
Ag adsorption site | Potential energy (104 eV) |
---|---|
Relaxed graphene | -3.3161821 |
Ag atom on top of C atom in the hexagon ring, (labeled T in Figure 4) | -18.0004936 |
Ag atom on the hollow in the C-hexagon ring, (labeled as H in Figure 4) | -17.4627885 |
Ag atom on the C-C bridge in the C-hexagon ring (labeled as B in Figure 4) | -17.5661164 |