reported for monothiols is the tilt angle. In monothiol SAMs, ligand molecules are assumed to tilt by an angle of around 30 °with respect to the surface normal, 60 but our observed tilt angle is lower (around 20 °, see below). The most stable position of the ligand molecules was the fcc hollow site, followed by hcp hollow, bridge and top site, which is consistent with theoretical data from the literature (see Supporting Information, Section S2.2).