Fig. 16
From: A DFT study on hydrogen diffusion across zinc surfaces at low coverage
Left: Energy curve, E(Z), Z = atom surface distance for the interaction of a hydrogen atom with the Zn surface. Two initial (minimum energy) positions are taken into account: hydrogen in the hollow position (stable position) and hydrogen in the bridge position (i.e. transition state for the diffusion process). Right: geometric representation of the two positions used in calculations (i.e. bridge and hollow).
