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 |
|
|
|
|
Ndlovu et al. Nanoscale Research Letters 2012 7:173 doi:10.1186/1556-276X-7-173 |
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