Structural stabilities and electronic properties of planar C-4 carbon sheet and nanoribbons
文献类型：期刊论文
| 作者 | Wang, XQ ; Li, HD ; Wang, JT |
| 刊名 | PHYSICAL CHEMISTRY CHEMICAL PHYSICS
 |
| 出版日期 | 2012 |
| 卷号 | 14期号:31页码:11107 |
| 关键词 | TOTAL-ENERGY CALCULATIONS AUGMENTED-WAVE METHOD GRAPHENE NANORIBBONS MONOLAYER GRAPHENE BASIS-SET GRAPHYNE STORAGE NANOTUBES NETWORKS HYDROGEN |
| ISSN号 | 1463-9076 |
| 通讯作者 | Wang, XQ (reprint author), Chinese Acad Sci, Inst Phys, Beijing Natl Lab Condensed Matter Phys, Beijing 100190, Peoples R China. |
| 中文摘要 | By means of first-principles calculations, we theoretically studied the structural stabilities and electronic properties of a pure-carbon 2D covalent metal named planar C-4 in P4/mmm (D-4h(1)) symmetry. Planar C-4 is confirmed to be dynamically stable in the ground state based on phonon-mode analysis, and it is more stable than graphyne and the recently prepared graphdiyne. Moreover, it has a higher density of states (DOS) at the Fermi level than any plausible metallic carbon nanotube. Of particular interest, there exist two distinct types of planar C-4 nanoribbons (NRs): type I is predicted to be uniformly metallic regardless of the width change, while type II exhibits remarkable odd-even metal-semiconductor oscillating behavior depending on the width. The edge structure of type II NRs is revealed to be energetically more favored since its formation energy is about 0.45 eV per edge atom lower than that of type I NRs. Our work shows that planar C-4 carbon sheet and its NRs could serve as potential materials for future functional nanodevices. |
| 收录类别 | SCI |
| 资助信息 | NSFC of China [10974230]; Ministry of environmental protection of China [200909086, 201109037] |
| 语种 | 英语 |
| 公开日期 | 2013-09-24 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/53353]  |
| 专题 | 物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文 |
| 推荐引用方式 GB/T 7714 | Wang, XQ,Li, HD,Wang, JT. Structural stabilities and electronic properties of planar C-4 carbon sheet and nanoribbons[J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS,2012,14(31):11107. |
| APA | Wang, XQ,Li, HD,&Wang, JT.(2012).Structural stabilities and electronic properties of planar C-4 carbon sheet and nanoribbons.PHYSICAL CHEMISTRY CHEMICAL PHYSICS,14(31),11107. |
| MLA | Wang, XQ,et al."Structural stabilities and electronic properties of planar C-4 carbon sheet and nanoribbons".PHYSICAL CHEMISTRY CHEMICAL PHYSICS 14.31(2012):11107. |
入库方式： OAI收割
来源：物理研究所
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