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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