Fig. 7. Experimental 3D reconstruction results of Au@Pd nanoparticles (ICNPs 3–7 and particles 9–13) and MD simulation of liquid–solid transition of gold nanoparticles.
a 3D atomic structures of Au@Pd nanoparticles with different morphologies. All the ICNPs exhibit Janus-like morphology; the rest particles include five MTPs, with one DH particle having a single fivefold axis, three PC particles with more than one fivefold axis, and one SF particle with a stacking fault. Scale bar: 2 nm. b The schematic of the annealing process of gold nanoparticles from 1500 to 300 K. c The four major types of morphologies in annealed gold nanoparticles with 3580 atoms. The icosahedra-like particle has two distinct faces like experimental ICNPs. Scale bar: 2 nm. d The normalized potential energy plots against the averaged BOO parameter of each simulated particle. The orange, light purple, magenta, and green dots represent particles with DH, IH, PC, and SF configuration, respectively. The balls in the atomic model with yellow, blue, light purple, dark purple, and white color represent the atoms with fcc, hcp, Dh, Ih, and amorphous structures, respectively. The balls in the atomic model with red and green color represent the ending atoms in fivefold and sixfold axis, respectively. Source data are provided as a Source Data file.