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Home All issues Volume 680 (December 2023) A&A, 680 (2023) A57 Full HTML
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Table C.1

Collected relative internal energies (∆U).

Surface Reaction of adsorption ∆U0
Fe0 @SiO2 H2 +Fe0@SiO2 →H2/Fe0@SiO2 -20.60
CO + H2/Fe0 @SiO2 → CO/H2/Fe0@SiO2 -60.41
CO + Fe0 @SiO2 → CO/Fe0@SiO2 -36.14
H2 + CO/Fe0 @SiO2 → H2/CO/Fe0@SiO2 -53.39
Fe2+@SiO2 H2 + Fe2+ @SiO2 → H2/Fe2+@SiO2 -17.69
CO + H2/Fe2+ @SiO2 → CO/H2/Fe2+@SiO2 -35.83
CO+ Fe2+@SiO2 → CO/Fe2+@SiO2 -21.70
H2 + CO/Fe2+ @SiO2 → H2/CO/Fe2+ @SiO2 -28.48

Notes. Values are in kcal mol−1 for the adsorption of the reactants H2 and CO for both systems under study, Fe0@SiO2 and Fe2+@SiO2, considering two scenarios, first the adsorption of the H2 molecule followed by the adsorption of the CO molecule, and vice versa.

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