Shape control is of key importance in utilizing the structure-property relationship of nanocrystals. The high surface-to-volume ratio of nanocrystals induces dynamic surface reactions on exposed facets of nanocrystals, such as adsorption, desorption, and diffusion of surface atoms, all of which are important in overall shape transformation. However, it is difficult to track shape transformation of nanocrystals and understand the underlying mechanism at the level of distinguishing events on individual facets. Herein, we investigate changes of individual surface-exposed facets during diverse shape transformations of Au nanocrystals using liquid phase TEM in various chemical potentials and kinetic Monte Carlo simulations. The results reveal that the diffusion of surface atoms on nanocrystals is the governing factor in determining the final structure in shape transformation, causing the fast transformation of unstable facets to truncated morphology with minimized surface energy. The role of surface diffusion introduced here can be further applied to understanding the formation mechanism of variously shaped nanocrystals.
Keywords: gold nanoplate; liquid phase TEM; shape transformation; surface diffusion; surface structure.