Surface reconstructions and stability of X-shaped carbon nanotube junction

doi:10.1063/1.2150210

IMR OpenIR

	Surface reconstructions and stability of X-shaped carbon nanotube junction
	Meng, FY ; Shi, SQ ; Xu, DS ; Chan, CT
通讯作者	Meng, FY(mmfymeng@polyu.edu.hk)
	2006-01-14
发表期刊	JOURNAL OF CHEMICAL PHYSICS
ISSN	0021-9606
卷号	124 期号:2 页码:4
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.
DOI	10.1063/1.2150210
收录类别	SCI
语种	英语
WOS研究方向	Physics
WOS类目	Physics, Atomic, Molecular & Chemical
WOS记录号	WOS:000234607700071
出版者	AMER INST PHYSICS
引用统计	被引频次：13[WOS] [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/88882
专题	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.Chinese Acad Sci, Met Res Inst, Shenyang 110016, Peoples R China 3.Hong Kong Univ Sci & Technol, Dept Phys, Hong Kong, Hong Kong, 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.