This study investigates the atomic-scale mechanisms driving the aggregation and evolution of penta-twinned (5-FT) gold nanocrystals using in situ high-resolution transmission electron microscopy (HRTEM) and molecular dynamics (MD) simulations. The results show that surface diffusion significantly influences the morphology of aggregated nanoparticles, particularly in smaller ones, promoting symmetrical 5-FT formation. The inherent structure of 5-FT mitigates surface diffusion's dominance, retarding aggregation and fostering intricate twin structures. These findings enhance our ability to control the configuration of twinned particles for the synthesis of functional nanomaterials.

Miao Song, Dingri Zhang, Dan Leng, Jaewon Lee, Ziang Yang, Jiaxuan Chen, Dan Li, Lei Wang, Gang Zhou, Rui Yang, Kechao Zhou