E ML geom is again obtained as the energy difference between the deformed and the relaxed, optimally aligned adsorbate molecule. Similarly, E ML formation is the difference between the deformed molecules in vacuum and the deformed molecules in the periodic unit cell of the free-standing adlayer (i.e., without the substrate). Furthermore, it is useful to decompose the total interface dipole p ML int into the components arising from the molecules p ML ads and from the bond p ML bond to the surface: Figure visualizes the decomposition of the polymorph adsorption energy in a field of F = 3 V nm -1 for the lying polymorph schematically. Therein, the energy components are shown using arrows of corresponding magnitude. As can be seen, the bonding to the surface (E ML bond ) is partially counteracted by both E ML geom and E ML formation . This effect is dominated by E ML geom , because of the strong deformation of the lying molecules during adsorption (cf. Section 2.2).