Skip to main content

Advertisement

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