Phase transformations of nano-sized cubic boron nitride to white graphene and white graphite

Abstract

We report quantum-mechanical investigations that predict the formation of white graphene and nano-sized white graphite from the first-order phase transformations of nano-sized boron nitride thin-films. The phase transformations from the nano-sized diamond-like structure, when the thickness d > 1.4 nm, to the energetically more stable nano-sized white graphite involve low activation energies of less than 1.0 eV. On the other hand, the diamond-like structure transforms spontaneously to white graphite when d ≤ 1.4 nm. In particular, the two-dimensional structure with single-layer boron nitride, the so-called white graphene, could be formed as a result of such transformation.