Density Functional Investigation of the Inclusion of Gold Clusters on a CH₃S Self-Assembled Lattice on Au(111)

Figure 3

(a) Binding energy values, , in eV, for the adsorption of SCH₃ SAM to Au(111) substrate containing gold clusters of increasing size. The horizontal line represents the adsorption energy value of the self-assembly to the cluster-free Au(111) surface ( = −1.96 V), whereas the shaded region below the line indicates the energy values lower than . (b) Calculated values for the adsorption energy of gold clusters to the clean Au(111) surface (solid line, squares) and to the SAM-covered substrate (dashed line, diamonds) in eV. The shaded region indicates the lowest energy values for each cluster size.

(a)

(b)