Fig. 5.
(a) Definition of the tilting angles (ϕx and ϕy) as well as the rotation angle (ϕz) describing the molecular orientation on the surface. (b) Total energy of the CuPc/Au(1 1 0) interface as a function of the azimuthal orientation ϕz for a fixed tilt of ϕx = 3° and ϕy = 9°. The red (blue) symbols are for the on-top (hollow) adsorption site of the central Cu atom. (For interpretation of the references to color in this figure legend, the reader is referred to the web version of this article.)