QQ客服 官方微博 反馈留言

	First-principles study of the size-dependent structural and electronic properties of thick-walled zno nanotubes
	Xu, Hu3,4; Zhan, Fei5; Rosa, A. L.6; Frauenheim, Th.6; Zhang, R. Q.1,2,3
刊名	Solid state communications
	2008-12-01
卷号	148期号:11-12页码:534-537
关键词	A. nanotubes A. semiconductors D. electronic structure
ISSN号	0038-1098
DOI	10.1016/j.ssc.2008.09.056
通讯作者	Zhang, r. q.(aprqz@cityu.edu.hk)
英文摘要	The size dependence of atomic relaxations, formation energies, and electronic structures of hexagonal [0001] zinc oxide (zno) nanotubes with diameters of up to 2.3 nm were studied using density-functional calculations. the formation energies per zn-o pair in thick-walled hexagonal zno nanotubes were found to be mainly dependent on the wall thickness and not on the tube diameter. thick-walled zno nanotubes are energetically more favorable than single-walled zno nanotubes. all zno nanotubes were found to be semiconducting, with band gaps larger than that of bulk zno. it was also found that the wall thickness of zno nanotubes strongly affects their shapes and the energies of the conduction bands, rather than their valence band maxima. (c) 2008 elsevier ltd. all rights reserved.
WOS关键词	ZINC-OXIDE ; FABRICATION ; NANOCABLES ; TRANSITION ; ROUTE
WOS研究方向	Physics
WOS类目	Physics, Condensed Matter
语种	英语
出版者	PERGAMON-ELSEVIER SCIENCE LTD
WOS记录号	WOS:000261587600012
内容类型	期刊论文
URI标识	http://www.corc.org.cn/handle/1471x/2373667
专题	物理研究所
通讯作者	Zhang, R. Q.
作者单位	1.City Univ Hong Kong, Ctr Super Diamond & Adv Films COSDAF, Hong Kong, Hong Kong, Peoples R China 2.City Univ Hong Kong, Dept Phys & Mat Sci, Hong Kong, Hong Kong, Peoples R China 3.Chinese Acad Sci, Tech Inst Phys & Chem, Nanoorgan Photoelect Lab, Beijing 100101, Peoples R China 4.Chinese Acad Sci, Grad Univ, Beijing 100101, Peoples R China 5.Chinese Acad Sci, Inst Phys, Beijing 100080, Peoples R China 6.Univ Bremen, BCCMS, D-28359 Bremen, Germany
推荐引用方式 GB/T 7714	Xu, Hu,Zhan, Fei,Rosa, A. L.,et al. First-principles study of the size-dependent structural and electronic properties of thick-walled zno nanotubes[J]. Solid state communications,2008,148(11-12):534-537.
APA	Xu, Hu,Zhan, Fei,Rosa, A. L.,Frauenheim, Th.,&Zhang, R. Q..(2008).First-principles study of the size-dependent structural and electronic properties of thick-walled zno nanotubes.Solid state communications,148(11-12),534-537.
MLA	Xu, Hu,et al."First-principles study of the size-dependent structural and electronic properties of thick-walled zno nanotubes".Solid state communications 148.11-12(2008):534-537.

个性服务

查看访问统计

相关权益政策

暂无数据

收藏/分享

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。