Atomistic Modeling of Corrosion Events at the Interface between a Metal and Its Environment
Figure 6
(a) Initial solvent-metal particle configuration, (b) electronic structure energies for dissolution/bond-breaking of a copper atom in proximity to a (111) copper surface, and (c) charges determined by the method of Bader for the copper adatom being “dragged” away from the (111) copper surface. Reproduced with permission from [111].
