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. 2020 Jul 9;124(30):16680–16688. doi: 10.1021/acs.jpcc.0c04561

Table 3. Vacancy Formation Ef Energies for Au, Ni, Co, and Fe, Obtained with Density Functional Theory, Evaluated for the Bulk and for the Surface.

E Au Ni Co Fe
Ef (eV) 0.67 1.63 2.26 2.02
Ef,s (eV) 0.52 0.89 1.13 0.62
Ef,s/Ef 0.78 0.55 0.50 0.31