Fig. 8: Fusion dynamics of two Au144(SCH3)60 nanoclusters at 550 K.
From: Thermal dynamics and coalescence of Au144(SR)60 clusters from a machine-learned potential
Selected snapshots shown in (a–i) from MD simulations of two Au144(SCH3)60 clusters at 550 K positioned 1.6 Å apart, shown in Au in purple and S in blue for one cluster, and Au in red and S in yellow for the other. Core Au atoms are shown as the largest spheres, Au atoms in ligand staples and sulfur atoms shown with smallest spheres. The snapshots are taken at: a: 0 ns, b: 2.39 ns, c: 14.20 ns, d: 21.52 ns, e: 24.13 ns, f: 24.92 ns, g: 26.88 ns, h: 72.98 ns, i: 109.33 ns. Each orientation has been adjusted to provide a better perspective of the structural dynamics. The blue dashed line shown in (d) indicates the first two Au atoms migrating from the purple cluster to the red cluster. Source data are provided as a Source Data file.
