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Table 1 Corresponding calculated total energies of the system at different adsorption sites

From: Epitaxial deposition of silver ultra-fine nano-clusters on defect-free surfaces of HOPG-derived few-layer graphene in a UHV multi-chamber by in situ STM, ex situ XPS, and ab initio calculations

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

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