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arXiv · cond-mat/0606704

Graphane: a two-dimensional hydrocarbon

Jorge O. Sofo·Ajay S. Chaudhari·Greg D. Barber
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Abstract

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.

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Jorge O. Sofo, Ajay S. Chaudhari, Greg D. Barber. 2006-06-27. Graphane: a two-dimensional hydrocarbon. https://doi.org/10.1103/physrevb.75.153401

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