石墨烯
石墨烯
碳氢化合物
环己烷
氢
碳纤维
苯
材料科学
氢气储存
结合能
化学物理
纳米技术
计算化学
化学
有机化学
物理
原子物理学
复合材料
复合数
作者
Jorge O. Sofo,Ajay Chaudhari,Greg D. Barber
出处
期刊:Physical Review B
[American Physical Society]
日期:2007-04-10
卷期号:75 (15)
被引量:1943
标识
DOI:10.1103/physrevb.75.153401
摘要
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.
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