Table 1. Free Energies of Adsorption of Hydrogen, Acetaldehyde, and Methanol on an Oxygen Vacancy on the Birnessite Surface.
species | free energy of adsorption (eV) |
---|---|
hydrogen | –0.026 |
acetaldehyde | –1.85 |
methanol | –2.57 |
species | free energy of adsorption (eV) |
---|---|
hydrogen | –0.026 |
acetaldehyde | –1.85 |
methanol | –2.57 |