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Advances in Condensed Matter Physics
Volume 2015, Article ID 735192, 5 pages
Research Article

Influence of Size Effect on the Electronic and Elastic Properties of Graphane Nanoflakes: Quantum Chemical and Empirical Investigations

1Department of Physics, Saratov State University, Saratov 410012, Russia
2Department of Physics, National Cheng Kung University, Tainan 701, Taiwan

Received 26 November 2014; Revised 23 April 2015; Accepted 23 April 2015

Academic Editor: Markus R. Wagner

Copyright © 2015 A. S. Kolesnikova 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.


By application of empirical method it is found that graphene nanoflake (graphane) saturated by hydrogen is not elastic material. In this case, the modulus of the elastic compression of graphane depends on its size, allowing us to identify the linear parameters of graphane with maximum Young’s modulus for this material. The electronic structure of graphane nanoflakes was calculated by means of the semiempirical tight-binding method. It is found that graphane nanoflakes can be characterized as dielectric. The energy gap of these particles decreases with increasing of the length tending to a certain value. At the same time, the ionization potential of graphane also decreases. A comparative analysis of the calculated values with the same parameters of single-walled nanotubes is performed.