Publication: Theoretical studies of pentagon-heptagon pair defects in carbon nanotube junctions
Issued Date
2007-12-01
Resource Type
Other identifier(s)
2-s2.0-52949108008
Rights
Mahidol University
Rights Holder(s)
SCOPUS
Bibliographic Citation
2007 7th IEEE International Conference on Nanotechnology - IEEE-NANO 2007, Proceedings. (2007), 545-548
Suggested Citation
Md Shafiqzzaman, Anurak Udomvech, Teerakiat Kerdcharoen Theoretical studies of pentagon-heptagon pair defects in carbon nanotube junctions. 2007 7th IEEE International Conference on Nanotechnology - IEEE-NANO 2007, Proceedings. (2007), 545-548. doi:10.1109/NANO.2007.4601250 Retrieved from: https://repository.li.mahidol.ac.th/handle/20.500.14594/24439
Research Projects
Organizational Units
Authors
Journal Issue
Thesis
Title
Theoretical studies of pentagon-heptagon pair defects in carbon nanotube junctions
Other Contributor(s)
Abstract
The electronic and energetic properties of topological defect in single-walled carbon nanotube junctions (SWCNTJ) were studied theoretically. The interfacial junction geometries can be constructed by fusing two zigzag tubes having different helicities and diameters. One segment of the fused nanotube is kept constant by using the (5,0) nanotube, while varying another segment from (6,0) to (10,0). Practically, the junctions are composed of one or more pentagon-heptagon pairs as defect in the perfect hexagonal lattice. The study shows that the electronic structures of SWCNTJ are dependent on the variation of diameter and length of carbon nanotubes. The HOMO and LUMO levels exhibit the even-odd "quantum size" oscillation of nanotube chiralities, even with increasing length of nanotubes. The energy gap that indicates metallic or semiconducting behavior depends on correlation between the tubes indices and tubule length. The energy of formation gently changes with the variation of tubular length and not diameter. The straight pair defect (5,0)//(6,0) SWCNTJ is more stable than other SWCNTJs. Comparison between the pair defect and the point defect structures shows that the straight SWCNTJ with topological pair defect has no affect by the alteration of numbers of pair defect structure around tube circumference. The outcome of this study would be of help as a knowledge base in the field of carbon nanotube molecular electronics. © 2007 IEEE.