4.6 Article

Graphene on metals: A van der Waals density functional study

期刊

PHYSICAL REVIEW B
卷 81, 期 8, 页码 -

出版社

AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.81.081408

关键词

-

资金

  1. Danish Center for Scientific Computing [HDW-1103-06]
  2. Lundbeck Foundation

向作者/读者索取更多资源

We use density functional theory (DFT) with a recently developed van der Waals density functional (vdW-DF) to study the adsorption of graphene on Co, Ni, Pd, Ag, Au, Cu, Pt, and Al(111) surfaces. In contrast to the local-density approximation (LDA) which predicts relatively strong binding for Ni, Co, and Pd, the vdW-DF predicts weak binding for all metals and metal-graphene distances in the range 3.40- 3.72 angstrom. At these distances the graphene band structure as calculated with DFT and the many-body G(0)W(0) method is basically unaffected by the substrate, in particular there is no opening of a band gap at the K point.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.6
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据