CORC  > 清华大学
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).
个性服务
查看访问统计
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。


©版权所有 ©2017 CSpace - Powered by CSpace