Fig. 5: Potential energy diagrams for the easiest diffusion processes of Pt adatom on the {100} face.
From: Atomistic insights into the nucleation and growth of platinum on palladium nanocrystals
We examined the deposited Pt as a a monomer and b a dimer, respectively, on a Pd{100} face without Br adlayer. In either panel, the hopping mechanism is represented by 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 below each diagram. The insets representing the hopping mechanism are connected through orange lines, while the insets representing the substitution mechanism are connected through green lines, according to the legend of the potential energy diagrams. In the insets, gray and blue spheres represent Pt and Pd atoms, respectively.
