Graphane: A two-dimensional hydrocarbon
Jorge O. SofoDepartment of Physics, The Pennsylvania State University, University Park, Pennsylvania 16802, USAAjay ChaudhariDepartment of Physics, The Pennsylvania State University, University Park, Pennsylvania 16802, USAGreg D. BarberMaterials Research Institute, The Pennsylvania State University, University Park, Pennsylvania 16802, USA
2007en
ABI
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 $s{p}^{3}$ 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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