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Graphane
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A view of the graphane lattice. Carbon atoms are represented in gray and hydrogen atoms in white.

We predict the stability of a new extended two-dimensional hydrocarbon on the basis of first-principles total energy calculations. The compound that we call graphane is a fully saturated hydrocarbon derived from a single graphene sheet with formula CH. All of the carbon atoms are in sp3 hybridization forming a hexagonal network and the hydrogen atoms are bonded to carbon on both sides of the plane in an alternating manner. Graphane is predicted to be stable with a binding energy comparable to other hydrocarbons such as benzene, cyclohexane, and polyethylene. We discuss possible routes for synthesizing graphane and potential applications as a hydrogen storage material and in two dimensional electronics.

This research area provides opportunities for undergraduate research.

Publications

2007 · 2009 · 2011 · 2012 · All
L. Reatto, M. Nava, D. E. Galli, C. Billman, J. O. Sofo and M. W. Cole, "Novel substrates for Helium adsorption: Graphane and Graphene-Fluoride," J. Phys. Conf. Ser 400, 012010 (2012)
N. Shen and J. O. Sofo, "Dispersion of Edge States and Quantum Confinement of Electrons in Graphene Channels Drawn on Graphene Fluoride," Phys. Rev. B 83, 245424 (2011)
A. M. Suarez, L. R. Radovic, E. Bar-Ziv and J. O. Sofo, "Gate Voltage Control of Oxygen Diffusion on Graphene," Phys. Rev. Lett. 106, 146802 (2011) Abstract/Comments
J. O. Sofo, A. M. Suarez, G. Usaj, P. S. Cornaglia, A. D. Hernández-Nieves and C. A. Balseiro, "Electrical Control of the Chemical Bonding of Fluorine on Graphene," Phys. Rev. B Rapid Comm. 83, 081411 (2011)
J. O. Sofo and R. D. Diehl, "Viewpoint: Geodesic carbon nanodomes," Physics (APS) 2, 84 (2009) Abstract/Comments
J. O. Sofo, A. Chaudhari and G. D. Barber, "Graphane: a two-dimensional hydrocarbon," Phys. Rev. B 75, 153401_4 (2007)
J. O. Sofo : Graphane: a new crystalline two-dimensional hydrocarbon