Atomistic Modeling of Corrosion Events at the Interface between a Metal and Its Environment

Figure 4

The shifts in energy of the Fermi level, copper d-band center (D), s and p bands of the oxygen of adsorbed OH (black symbols, dashed lines, S1, P11, P12, P13), and s and p bands of the oxygen of first-layer water molecules (gray symbols, dotted lines, S2, P21, P22, P23, P24) relative to the zero-charge values. Reproduced with permission from [98].