期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 111, 期 7, 页码 2906-2912出版社
AMER CHEMICAL SOC
DOI: 10.1021/jp066719w
关键词
-
First principles calculations based on generalized-gradient approximation to density functional theory are performed to study structural and electronic properties of the 2D sheets consisting of the elemental boron. The results find that the boron sheet can be stable and can possess metallic or semiconducting character depending on its atomistic configuration. The unique features present in the electronic properties of the buckled {1212} and reconstructed {1221} sheets would lead to a significant variation on electronic and mechanical properties of the corresponding single-walled boron nanotubes.
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。
推荐
暂无数据