Graphane: a two-dimensional hydrocarbon

Graphane: a two-dimensional hydrocarbon

| Jorge O. Sofo, Ajay S. Chaudhari, Greg D. Barber
The authors predict the stability of a new two-dimensional hydrocarbon called graphane, derived from a single graphene sheet with the formula CH. Graphane is fully saturated, with carbon atoms in sp³ hybridization forming a hexagonal network and hydrogen atoms bonded alternately on both sides of the plane. The compound is predicted to be stable with a binding energy comparable to other hydrocarbons like benzene, cyclohexane, and polyethylene. The authors discuss possible synthesis routes and potential applications in hydrogen storage and two-dimensional electronics. First-principles total energy calculations show that graphane has favorable formation energy and is more stable than other hydrocarbons with similar hydrogen concentrations. The material exhibits a direct band gap and moderate charge transfer from carbon to hydrogen. Potential synthetic methods include hydrogenation of fluorinated compounds and metal reduction in liquid ammonia. Graphane's unique properties make it a promising candidate for advanced materials research and technological applications.The authors predict the stability of a new two-dimensional hydrocarbon called graphane, derived from a single graphene sheet with the formula CH. Graphane is fully saturated, with carbon atoms in sp³ hybridization forming a hexagonal network and hydrogen atoms bonded alternately on both sides of the plane. The compound is predicted to be stable with a binding energy comparable to other hydrocarbons like benzene, cyclohexane, and polyethylene. The authors discuss possible synthesis routes and potential applications in hydrogen storage and two-dimensional electronics. First-principles total energy calculations show that graphane has favorable formation energy and is more stable than other hydrocarbons with similar hydrogen concentrations. The material exhibits a direct band gap and moderate charge transfer from carbon to hydrogen. Potential synthetic methods include hydrogenation of fluorinated compounds and metal reduction in liquid ammonia. Graphane's unique properties make it a promising candidate for advanced materials research and technological applications.
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