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Journal of Nanomaterials
Volume 2015, Article ID 379563, 9 pages
http://dx.doi.org/10.1155/2015/379563
Research Article

Topological and Energetic Conditions for Lithographic Production of Carbon Nanotubes from Graphene

1Faculty of Technology Sciences, Széchenyi István University, Győr 9026, Hungary
2Department of Theoretical Physics, Institute of Physics, Budapest University of Technology and Economics, Budapest 1521, Hungary

Received 21 April 2015; Accepted 2 July 2015

Academic Editor: Stefano Bellucci

Copyright © 2015 D. Fülep et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

Density Functional Based Tight-Binding (DFTB) molecular dynamics (MD) simulations were performed for producing carbon nanotubes from graphene nanoribbons. The constant temperature simulations were controlled with the help of Nosé-Hoover thermostat. In our systematic study we obtained critical curvature energies and determined topological conditions for nanotube production from two parallel graphene nanoribbons. We obtained linear relationship between the curvature energy and the square of the curvature.