Fig. 7: Snapshots of the initial (0 ns) and final (10 ns) geometries of three Au-NP shapes.

a Au₁₀₄₂₂₃ icoshedron, where all surfaces exhibit (111) faceting. b, c Atoms are colored by their environment using the PTM method provided in the Ovito software⁴¹, where red denotes HCP- and green denotes FCC-packing. d–f Au₁₀₄₂₂₃ cuboctahedron, where the surface area is divided between (100) and (111) facets. e Atoms are colored by their height using Ovito or using the PTM scheme in f. g–i Au₁₀₄₂₂₃ ino-truncated decahedron, which also exhibits both (100) and (111) surfaces like the cuboctahedron. h, i employ the same coloring schemes as the cuboctahedron.