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

Table 3. Total Adsorption Energies, E_ads, Per Unit Surface Area for Each System Calculated at PBE+vdW^surf (Cs/K⁺) and PBE+MBD-NL Levels.

	Cs(TCNQ)₄	K(TCNQ)₄	K(TCNQ)₂	KTCNQ
PBE+vdW^surf (Cs/K⁺) (eV nm^–2)	4.95	4.98	5.39	8.57
PBE+MBD-NL (eV nm^–2)	4.16	4.17	4.60	7.61

Table 3. Total Adsorption Energies, Eads, Per Unit Surface Area for Each System Calculated at PBE+vdWsurf (Cs/K+) and PBE+MBD-NL Levels.