Graphane: A two-dimensional hydrocarbon
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- 10 April 2007
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 75 (15) , 153401
- https://doi.org/10.1103/physrevb.75.153401
Abstract
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 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.
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