Nanoscrolls made from boron nitride nanotubes with helical fissure

Abstract

ABSTRACT Molecular mechanics calculations demonstrate that boron-nitride nanoscrolls (BNNSs) can be formed from boron-nitride nanotubes (BNNTs) with cut helical fissure taking self-assembly principle. The assembly process and energy analyzations show that the van der Waals interaction between hexagonal boron-nitride (h-BN) layers provides the main driving force and the angle torsion of B-N bonds promotes the self-assembly of cut BNNTs. The pattern of fissure, the diameter and length of BNNTs can affect the self-assembly to form planer h-BN monolayer, single- or double-BNNSs. The results indicate that the helical pattern of fissure can ensure the formation of BNNSs and the length of BNNSs can be designed by controlling the density of cut fissure. The dependence of scroll-forming dynamics on temperature, and differences of self-assembly between BNNT and carbon nanotube with helical fissure are also explored. The method of cutting fissure may suggest a new way to assist isolated BNNTs to form BNNSs.