Research Article
Density Functional Investigation of the Inclusion of Gold Clusters on a CH3S Self-Assembled Lattice on Au(111)
Table 1
Calculated geometric parameters characterizing the (√3 × √3)-R30°-CH3S self-assembled lattice containing Au clusters with increasing sizes. Structures are displayed in Figure 2.
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, area of the Au cluster deposited on the (111) Au surface; (S), average height of the S atoms with respect to the Au(111) surface; (Au), average height of the Au cluster with respect to the Au(111) surface in a SAM-free substrate; (Au), average height of the Au cluster covered by the self-assembly with respect to the Au(111) surface. |