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. 2023 Jan 26;127(5):2716–2727. doi: 10.1021/acs.jpcc.2c08688

Figure 7.

Figure 7

Bar plots showing energetic contributions of (light red) adsorbate–substrate and (light blue) intra-adsorbate interactions as determined by (a) PBE+vdWsurf (Cs/K+) and (b) PBE+MBD-NL. All values determined by eq 1. (Bottom) Average height of C and N atoms in TCNQ molecules.