Angular distribution of angleϕas function of distance from the interface. The 2d-histograms (a–i) show the angle ϕdepending on the distance to the interface at z=0, where ϕis the angle between the molecule plane and the interface plane (see Figure 3a). The distance to the interface is given as the z coordinate of the molecule center in Å. Each histogram represents the results for one of the interface facets configurations given in Miller indices (001), (010), and (100) for pentacene (as marked on the right side of the histograms) and as (102), (212) and (-221) for PTCDA (as marked above the histograms). The box size is proportional to the number of occurrence. The interface location is emphasized by a dashed line with PTCDA located above and pentacene below it. The region of disorder is marked in light blue. Outside the light blue area the crystals are in their bulk phase. The corresponding relaxed crystal morphology is represented by the inset molecular structure.
Poschlad et al. Nanoscale Research Letters 2012 7:248 doi:10.1186/1556-276X-7-248