Research Article
On the Electronic Effect of V, Fe, and Ni on MgO(100) and BaO(100) Surface: An Explanation from a Periodic Density Functional
Table 1
Equilibrium distances (Ć
) between the doping atom (Mg or Ba atom in the case of undoped surface) and the nearest O atoms. corresponds to the superficial oxygen atom, corresponds to the equatorial oxygen atoms, and corresponds to the bottom oxygen atom.
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