Fig. 1: Functional dependence of computed adsorption energies. | Nature Communications

Fig. 1: Functional dependence of computed adsorption energies.

From: Adsorption energies on transition metal surfaces: towards an accurate and balanced description

Fig. 1

Calculated adsorption energies (kcal mol−1) of methanol (MeOH), methoxy (CH3O) and CO on Ni(111) (green slab) and Pd(111) (gray slab) together with the experimental values. Experimental data for methanol and methoxy adsorption energies on Ni(111) were obtained from ref. 72, MeOH on Pd(111) was obtained from refs. 73,74,75, while the CO adsorption comes from ref. 4.

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