期刊
APPLIED PHYSICS LETTERS
卷 83, 期 6, 页码 1222-1224出版社
AMER INST PHYSICS
DOI: 10.1063/1.1599961
关键词
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A Stone-Wales (SW) defect is a dipole of 5-7 ring pair in a hexagonal network, which is one of the most important defective structures in carbon nanotubes (CNTs) that will affect mechanical, chemical, and electronic properties of CNTs. Using the extended Huckel method, we calculated the formation energy of SW defects in carbon nanotubes. The formation energy of SW defects was then fitted to a simple formula as a function of the tube radius and the orientation of a SW defect in the tube. This result provides a convenient tool for the study of thermodynamics and kinetics of SW defects, as well as the interaction of SW defects with other types of defects in CNTs. (C) 2003 American Institute of Physics.
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