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. 2013 Jan 8;117(6):3055–3061. doi: 10.1021/jp309943k

Figure 3.

Figure 3

(a) PBE + vdWsurf binding-energy curves of a PTCDA single-layer (black) and a PTCDA–CuPc double-layer (gray), adsorbing on Ag(111) as a function of the Ag(111)–PTCDA distance; dashed vertical lines indicate the experimental binding distances for PTCDA20 (black) and PTCDA–CuPc3 (gray) on Ag(111). (b) Binding-energy difference ΔEB of the two curves in part a with the respective PBE (red) and vdWsurf (cyan) energy contributions.