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Phys. Rev. B 75, 153401 (2007) [4 pages]

Graphane: A two-dimensional hydrocarbon

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Jorge O. Sofo1,2, Ajay S. Chaudhari1,2,*, and Greg D. Barber2
1Department of Physics, The Pennsylvania State University, University Park, Pennsylvania 16802, USA
2Materials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, USA

Received 25 January 2007; published 10 April 2007

We predict the stability of an 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.

© 2007 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevB.75.153401
DOI:
10.1103/PhysRevB.75.153401
PACS:
81.05.Zx, 73.43.Cd, 81.05.Uw

*Present address: School of Physical Sciences, S.R.T.M. University, Nanded-431 606 (M.S.) India.