Graphane: A two-dimensional hydrocarbon

被引：1662

作者：

Sofo, Jorge O. ^{[1
]}

Chaudhari, Ajay S.

Barber, Greg D.

机构：

[1] Penn State Univ, Dept Phys, University Pk, PA 16802 USA

[2] Penn State Univ, Mat Res Inst, University Pk, PA 16802 USA

来源：

PHYSICAL REVIEW B | 2007年 / 75卷 / 15期

关键词：

D O I：

10.1103/PhysRevB.75.153401

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

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 sp(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.

引用

页数：4

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