Abstract
Temperature-activated diffusion of a graphene flake on a graphene layer and a commensurate-incommensurate phase transition in bilayer graphene are investigated using the classical potential for graphene developed recently on the basis of first-principles calculations with the van der Waals correction. It is shown that rotation of graphene flakes to incommensurate states can significantly contribute to diffusion of the flakes consisting of several tens of atoms even at room temperature. Formation of incommensurability defects in bilayer graphene upon stretching of one of the layers is observed by molecular dynamics simulations.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
References
Bunch, J.S., van der Zande, A.M., Verbridge, S.S., Frank, I.W., Tanenbaum, D.M., Parpia, J.M., Craighead, H.G., McEuen, P.L.: Electromechanical resonators from graphene sheets. Science 315, 490–493 (2007)
Zheng, Q., Jiang, B., Liu, S., Weng, Yu., Lu, L., Xue, Q., Zhu, J., Jiang, Q., Wang, S., Peng, L.: Self-retracting motion of graphite microflakes. Phys. Rev. Lett 100, 067205 (2008)
Lebedeva, I.V., Knizhnik, A.A., Popov, A.M., Lozovik, Yu.E., Potapkin, B.V.: Interlayer interactions and relative vibrations of graphene layers. Phys. Chem. Chem. Phys. 13, 5687–5695 (2011)
Lebedeva, I.V., Knizhnik, A.A., Popov, A.M., Ershova, O.V., Lozovik, Yu.E., Potapkin, B.V.: Fast diffusion of a graphene flake on a graphene layer. Phys. Rev. B 82, 155460 (2010)
Lebedeva, I.V., Knizhnik, A.A., Popov, A.M., Ershova, O.V., Lozovik, Yu.E., Potapkin, B.V.: Diffusion and drift of graphene flake on graphite surface. J. Chem. Phys. 134, 104505 (2011)
Brenner, D.W., Shenderova, O.A., Harrison, J.A., Stuart, S.J., Ni, B., Sinnott, S.B.: A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons. J. Phys.: Condens. Matter 14, 783–802 (2002)
Bonelli, F., Manini, N., Cadelano, E., Colombo, L.: Atomistic simulations of the sliding friction of graphene flakes. Eur. Phys. J. B 70, 449–459 (2009)
Popov, A.M., Lebedeva, I.V., Knizhnik, A.A., Lozovik, Yu.E., Potapkin, B.V.: Commensurate-incommensurate phase transition in bilayer graphene. Phys. Rev. B 84, 045404(6p) (2011)
Acknowledgements
This work has been partially supported by the RFBR grants 11-02-00604 and 10-02-90021-Bel. The calculations are performed on the SKIF MSU Chebyshev supercomputer and at the Joint Supercomputer Center of the Russian Academy of Sciences.
Author information
Authors and Affiliations
Corresponding author
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2012 Springer-Verlag Berlin Heidelberg
About this paper
Cite this paper
Lebedeva, I.V., Knizhnik, A.A., Popov, A.M., Lozovik, Y.E., Potapkin, B.V. (2012). Study of Interaction Between Graphene Layers: Fast Diffusion of Graphene Flake and Commensurate-Incommensurate Phase Transition. In: Ottaviano, L., Morandi, V. (eds) GraphITA 2011. Carbon Nanostructures. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-20644-3_21
Download citation
DOI: https://doi.org/10.1007/978-3-642-20644-3_21
Published:
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-642-20643-6
Online ISBN: 978-3-642-20644-3
eBook Packages: Chemistry and Materials ScienceChemistry and Material Science (R0)