Surface reconstructions and stability of X-shaped carbon nanotube junction

doi:10.1063/1.2150210

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	Surface reconstructions and stability of X-shaped carbon nanotube junction
	Meng, FY ; Shi, SQ ; Xu, DS ; Chan, CT
刊名	JOURNAL OF CHEMICAL PHYSICS
	2006-01-14
卷号	124 期号:2 页码:4
ISSN号	0021-9606
DOI	10.1063/1.2150210
通讯作者	Meng, FY(mmfymeng@polyu.edu.hk)
英文摘要	A complete surface reconstruction takes place after a local connection between two crossed tubes is established, leading to the creation of an extended X-shaped junction constituted by topological defects with smooth negative curvature. Molecular-dynamics simulations show that the surface reconstructions occur through (1) generalized Stone-Wales transformation and (2) the movement of sp and sp(3) atoms and their transformation to sp(2) atoms by bond rearrangement. Based on both the principle of energy minimization and a generalized Euler's rule, it is demonstrated that the most stable structure for X junctions contains only 12 heptagons. The annealing temperature influences the topological structure and stability of junctions. (c) 2006 American Institute of Physics.
WOS研究方向	Physics
语种	英语
出版者	AMER INST PHYSICS
WOS记录号	WOS:000234607700071
内容类型	期刊论文
源URL	[http://ir.imr.ac.cn/handle/321006/88881]
专题	金属研究所_中国科学院金属研究所
通讯作者	Meng, FY
作者单位	1.Hong Kong Polytech Univ, Dept Mech Engn, Hong Kong, Hong Kong, Peoples R China 2.Hong Kong Univ Sci & Technol, Dept Phys, Hong Kong, Hong Kong, Peoples R China 3.Chinese Acad Sci, Met Res Inst, Shenyang 110016, Peoples R China
推荐引用方式 GB/T 7714	Meng, FY,Shi, SQ,Xu, DS,et al. Surface reconstructions and stability of X-shaped carbon nanotube junction[J]. JOURNAL OF CHEMICAL PHYSICS,2006,124(2):4.
APA	Meng, FY,Shi, SQ,Xu, DS,&Chan, CT.(2006).Surface reconstructions and stability of X-shaped carbon nanotube junction.JOURNAL OF CHEMICAL PHYSICS,124(2),4.
MLA	Meng, FY,et al."Surface reconstructions and stability of X-shaped carbon nanotube junction".JOURNAL OF CHEMICAL PHYSICS 124.2(2006):4.