Fig. 4: Potential energy diagram for the diffusion processes of a Pt adatom atop a Pt ML on the {111} corner.
From: Atomistic insights into the nucleation and growth of platinum on palladium nanocrystals
The hopping mechanism is represented with an orange line, while the substitution mechanism is represented by a green line. IS, TS, and FS stand for initial, transition, and final states, respectively. The structures of these states are represented by the insets surrounding the diagram. The labels of the insets are colored in orange if they belong to the hopping mechanism, or green if they belong to the substitution mechanism or are common among the two mechanisms, according to the legend of the potential energy diagram. In the insets, gray, blue, and red spheres represent Pt, Pd, and Br atoms, respectively. The yellow sphere is the diffusing Pt atom. Notice that FS-2 is common between TS-2 and TS-3, and therefore the yellow and the substituted gray spheres in TS-3 will appear as if they were exchanged in FS-2.
