Graphane: a two-dimensional hydrocarbon

TL;DR

This paper predicts the stability of a new two-dimensional hydrocarbon called graphane, derived from graphene, with potential applications in hydrogen storage and electronics, based on first-principles calculations.

Contribution

It introduces and predicts the stability of graphane, a novel 2D hydrocarbon with fully saturated bonds, expanding the possibilities for 2D materials.

Findings

Graphane is predicted to be stable with a binding energy comparable to known hydrocarbons.

All carbon atoms in graphane are in sp3 hybridization, forming a hexagonal network.

Potential applications include hydrogen storage and two-dimensional electronic devices.

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.