We also plot the energy distribution profile for each of the long xTB pyGlobOpt runs in figure . We observe that the energy level at which most structures occur (the highest peaks) found for each Pt NP type differ relative to their respective global minima. Pt 13 has the lowest-energy occurring peak, followed by Pt 13 H 2 then Pt 13 H 2 . There is a clear trend for the energy at which the 'most accessible LM' occurs and the degree of hydrogenation. This pattern is reinforced when comparing the 'on-surface' structures of Pt 13 +H 2 and Pt 13 +2 H 2 .