Graphane: A two-dimensional hydrocarbon

Jorge O. Sofo, Ajay S. Chaudhari, and Greg D. Barber
Phys. Rev. B 75, 153401 – Published 10 April 2007

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 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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  • Received 25 January 2007

DOI:https://doi.org/10.1103/PhysRevB.75.153401

©2007 American Physical Society

Authors & Affiliations

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

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

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Issue

Vol. 75, Iss. 15 — 15 April 2007

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