First-principles study for transport properties of defective carbon nanotubes with oxygen adsorption
文献类型：期刊论文
| 作者 | Z. Li ; C. Y. Wang ; S. H. Ke ; W. Yang |
| 刊名 | European Physical Journal B
 |
| 出版日期 | 2009 |
| 卷号 | 69期号:3页码:375-382 |
| 关键词 | augmented-wave method single irradiation conductance transistors graphene tubules |
| ISSN号 | 1434-6028 |
| 中文摘要 | Oxygen gas usually presents in carbon nanotube (CNT) based devices and can affect their transport properties. Here, we perform simulations for O(2) adsorption on a (5, 5) CNT with a double vacancy. We first use first-principles plane-wave calculation to optimize the structures and then use single-particle Green function method to study their transport properties. It is found that an O(2) can be either physisorbed or chemisorbed on the defective CNT. The physisorption has only minor effects on the transport while the chemisorption can improve it and the resulting conductance is affected by the orientation of the O(2) bonding. |
| 原文出处 | |
| 公开日期 | 2012-04-13 |
| 源URL | [http://210.72.142.130/handle/321006/32052]  |
| 专题 | 金属研究所_中国科学院金属研究所 |
| 推荐引用方式 GB/T 7714 | Z. Li,C. Y. Wang,S. H. Ke,et al. First-principles study for transport properties of defective carbon nanotubes with oxygen adsorption[J]. European Physical Journal B,2009,69(3):375-382. |
| APA | Z. Li,C. Y. Wang,S. H. Ke,&W. Yang.(2009).First-principles study for transport properties of defective carbon nanotubes with oxygen adsorption.European Physical Journal B,69(3),375-382. |
| MLA | Z. Li,et al."First-principles study for transport properties of defective carbon nanotubes with oxygen adsorption".European Physical Journal B 69.3(2009):375-382. |
入库方式： OAI收割
来源：金属研究所
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