Equilibrium structure of multilayer van der Waals films and nanotubes

Abstract

Recent experimental results demonstrate that it is possible to grow a variety of different multiphase, nested nanotube structures. This paper predicts the structure and energetics of such multiphase nanotubes. There are several distinct contributions to the energetics: the internal and external surface energies, the energy of the interface between the different phases, the long-range (van der Waals) interactions between interfaces, and the elastic bending energy. We perform energy minimizations to compare the energies of two- and three-layer films and nanotubes. We present physical guidelines, quantitative theory, and structure maps that show how materials and geometric parameters influence the stability of competing structures.