Skip to main content
Article thumbnail
Location of Repository

Zipping and unzipping of nanoscale carbon structures

By Julia Berashevich and Tapash Chakraborty

Abstract

We demonstrate theoretically that hydrogenation and annealing applied to nanoscale carbon structures play a crucial role in determining the final shape of the system. In particular, graphene flakes characterized by the linear and non-hydrogenated zigzag or armchair edges have high propensity to merge into a bigger flake or a nanotube (the formation of a single carbon-carbon bond lowers the total energy of the system by up to 6.22 eV). Conversely, the line of the $sp^2$ carbon bonds (common for pure carbon structures such as graphene or a carbon nanotube) converted into the $sp^3$ type by hydrogenation shows an ability to disassemble the original structure by cutting it along the line of the modified bonds. These structural transformations provide us with an understanding of the behavior of mobile carbon structures in solution and a distinct scenario of how to preserve the original structure which would be a crucial issue for their application in carbon-based electronics.Comment: 7 pages, 6 figure

Topics: Condensed Matter - Materials Science
Year: 2011
DOI identifier: 10.1103/PhysRevB.83.195442
OAI identifier: oai:arXiv.org:1104.3588
Download PDF:
Sorry, we are unable to provide the full text but you may find it at the following location(s):
  • http://arxiv.org/abs/1104.3588 (external link)
  • Suggested articles


    To submit an update or takedown request for this paper, please submit an Update/Correction/Removal Request.