中文摘要：

在密度泛函理论的基础上，采用了广义梯度近似的方法研究了Au@Graphene@Au复合纳米结构的光电性质。经过对Au@Graphene@Au的电子结构计算，发现由于Graphene与Au表面功函数的差异，在Graphene与Au纳米薄膜的界面处产生电荷聚集，从而形成增强的电场，使得光与物质的相互作用增强，光吸收系数得到明显改善。

英文摘要：

On the basis of the density function theory, the optical and electrical properties of Au@ Graphene@ Au are calculated with the method of GGA （ Generalized Gradient Approximation）. After the calculation of the electronic structure of Au@ Graphene@ Au, we found that the charges accumulation which takes place in the interface between the graphene and Au surfaces forms an enhanced electronic field. The enhanced electronic field im- proves the coefficient of the optical absorption due to the strengthen of the light - matter interactions of the nanostructure.