An experimental and simulation study of size- and shape-dependent energetics of nanocrystal interfaces was presented. The interface energetics of Ag nanocrystals on a H-passivated Si(111) surface was studied by transmission electron microscopy and molecular dynamics simulations. It was observed that the equilibrium orientation, or interface energy minimum, depends on the interface size and shape, and for interfaces approaching a coincidence site lattices (CSL) cell in size, fluctuations of a single atom at an interface can lead to large variations in nanocrystal orientations.
ASJC Scopus subject areas
- Physics and Astronomy(all)