Issue 44, 2013

Dynamical aspects of the unzipping of multiwalled boron nitride nanotubes

Abstract

Boron nitride nanoribbons (BNNRs) exhibit very interesting magnetic properties, which could be very useful in the development of spintronic based devices. One possible route to obtain BNNRs is through the unzipping of boron nitride nanotubes (BNNTs), which have been already experimentally realized. In this work, different aspects of the unzipping process of BNNTs were investigated through fully atomistic molecular dynamics simulations using a classical reactive force field (ReaxFF). We investigated multiwalled BNNTs of different diameters and chiralities. Our results show that chirality plays a very important role in the unzipping process, as well as the interlayer coupling. These combined aspects significantly change the fracturing patterns and several other features of the unzipping processes in comparison to the ones observed for carbon nanotubes. Also, similar to carbon nanotubes, defective BNNTs can create regions of very high curvature which can act as a path to the unzipping process.

Graphical abstract: Dynamical aspects of the unzipping of multiwalled boron nitride nanotubes

Supplementary files

Article information

Article type
Paper
Submitted
27 Jun 2013
Accepted
07 Aug 2013
First published
09 Aug 2013

Phys. Chem. Chem. Phys., 2013,15, 19147-19150

Dynamical aspects of the unzipping of multiwalled boron nitride nanotubes

E. Perim, P. A. S. Autreto, R. Paupitz and D. S. Galvao, Phys. Chem. Chem. Phys., 2013, 15, 19147 DOI: 10.1039/C3CP52701H

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements