Graphane: A two-dimensional hydrocarbon

Jorge O. Sofo, Ajay S. Chaudhari, Greg D. Barber

Research output: Contribution to journalArticlepeer-review

1508 Scopus citations

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 s p3 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.

Original languageEnglish (US)
Article number153401
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume75
Issue number15
DOIs
StatePublished - Apr 10 2007

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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