First-principles study for transport properties of defective carbon nanotubes with oxygen adsorption | |
Li, Z. ; Wang, C. -Y. ; Ke, S. -H. ; Yang, W. | |
2010-10-12 ; 2010-10-12 | |
关键词 | AUGMENTED-WAVE METHOD SINGLE IRRADIATION CONDUCTANCE TRANSISTORS GRAPHENE TUBULES Physics, Condensed Matter |
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. |
语种 | 英语 ; 英语 |
出版者 | SPRINGER ; NEW YORK ; 233 SPRING ST, NEW YORK, NY 10013 USA |
内容类型 | 期刊论文 |
源URL | [http://hdl.handle.net/123456789/81492] ![]() |
专题 | 清华大学 |
推荐引用方式 GB/T 7714 | Li, Z.,Wang, C. -Y.,Ke, S. -H.,et al. First-principles study for transport properties of defective carbon nanotubes with oxygen adsorption[J],2010, 2010. |
APA | Li, Z.,Wang, C. -Y.,Ke, S. -H.,&Yang, W..(2010).First-principles study for transport properties of defective carbon nanotubes with oxygen adsorption.. |
MLA | Li, Z.,et al."First-principles study for transport properties of defective carbon nanotubes with oxygen adsorption".(2010). |
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