Fig. 7: Fusion dynamics of two Au144(SCH3)60 nanoclusters at 400 K.
From: Thermal dynamics and coalescence of Au144(SR)60 clusters from a machine-learned potential
Selected snapshots shown in (a–k) from MD simulations of two Au144(SCH3)60 clusters at 400 K positioned 3.08 Å apart, shown in red and purple for distinction. The snapshots are taken at: a: 0 ns, b: 0.62 ns, c: 11.27 ns, d: 17.40 ns, e: 47.68 ns, f: 50.73 ns, g: 55.66 ns, h: 64.82 ns, i: 66.70 ns, j: 74.22 ns, k: 87.60 ns. Core Au atoms are represented as the largest spheres, Au atoms in ligand staples and sulfur atoms are shown with the smallest spheres. Each orientation has been adjusted to provide a better perspective of the structural dynamics. Source data are provided as a Source Data file.
