Fig. 3
a Termination planes used to generate the surface II slab. b The isolated surface II slab obtained from cleaving at the termination II planes. The magenta colored hydrogen atom was added to neutralize the surface cleavage. c The oxygen atoms in the surface II slab are color coded to show the coordination. purple—hydroxide with three Fe neighbors, green—O2− with three Fe neighbors, blue—hydroxide with two Fe neighbors