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Surface reconstructions and stability of X-shaped carbon nanotube junction
Meng, FY; Shi, SQ; Xu, DS; Chan, CT
Corresponding AuthorMeng, FY(mmfymeng@polyu.edu.hk)
2006-01-14
Source PublicationJOURNAL OF CHEMICAL PHYSICS
ISSN0021-9606
Volume124Issue:2Pages:4
AbstractA 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.
DOI10.1063/1.2150210
Indexed BySCI
Language英语
WOS Research AreaPhysics
WOS SubjectPhysics, Atomic, Molecular & Chemical
WOS IDWOS:000234607700071
PublisherAMER INST PHYSICS
Citation statistics
Cited Times:11[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.imr.ac.cn/handle/321006/88882
Collection中国科学院金属研究所
Corresponding AuthorMeng, FY
Affiliation1.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
Recommended Citation
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.
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