Phys. Rev. B 75, 153401 (2007) [4 pages]Graphane: A two-dimensional hydrocarbonReceived 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
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