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자연과학대학
물리학전공
Journal papers
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Ab initio study of the effect of nitrogen on carbon nanotube growth
Title
Ab initio study of the effect of nitrogen on carbon nanotube growth
Authors
Ahn H.-S.
;
Lee S.-C.
;
Han S.
;
Lee K.-R.
;
Kim D.-Y.
Ewha Authors
한승우
SCOPUS Author ID
한승우
Issue Date
2006
Journal Title
Nanotechnology
ISSN
0957-4484
Citation
Nanotechnology vol. 17, no. 3, pp. 909 - 912
Indexed
SCI; SCIE; SCOPUS
Document Type
Article
Abstract
The energetics and kinetics of carbon nanotube growth are studied using an ab initio method. Specifically, the role of the nitrogen atom is analysed in detail for various pathways to the growth of the nanotube edge. The energy barriers are estimated by identifying transition states and it is found that the growth rate of a zigzag-type edge is significantly enhanced. The underlying physical mechanism is explained based on the electronic structure of nitrogen atoms embedded in the carbon networks. © 2006 IOP Publishing Ltd.
DOI
10.1088/0957-4484/17/3/048
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