Density Functional Theory with Modified Dispersion Correction for Metals Applied to Self-Assembled Monolayers of Thiols on Au(111)
Figure 2
Optimized geometry of dissociated dimethyl disulfide on Au(111) adsorbed in a dithiolate-Au adatom surface complex in top view (a) and side view (b). Color code: Au: orange, Au adatom: brown, S: yellow, C: grey, and H: white.
