Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/13763
Title: Self-assembly of carbon nanotubes and boron nitride nanotubes into coaxial structures
Authors: Kuang, YD
Shi, SQ 
Chan, PKL
Chen, CY
Keywords: Carbon nanotubes and boron nitride nanotubes
Molecular dynamics simulations
Nanodevices
Polarization
Self-assembly
Issue Date: 2010
Publisher: Elsevier
Source: Computational materials science, 2010, v. 50, no. 2, p. 645-650 How to cite?
Journal: Computational materials science 
Abstract: Coaxial carbon nanotube/boron nitride nanotube (CNT/BNNT) multi-walled structures are ideal components in nanoelectronic systems. Our molecular dynamics simulations show that separate CNTs and BNNTs can self-assemble into stable coaxial structures in water under appropriate conditions. In case study three types of representative coaxial structures: (5, 5) CNT/(10, 10) BNNT, (5, 5) BNNT/(10, 10) CNT and (5, 5) BNNT/(10, 10) BNNT are obtained. Simulation results also reveal that the self-assembly time between two separate BNNTs is increased remarkably due to the polarization of BNNTs in water. The mechanism of self-assembly among these tubes is demonstrated in detail. Further, coaxial (10, 10) BNNT/(10, 10) CNT/(15, 15) BNNT nanoheterojunctions are achieved for potential application in nanoelectronic systems. The present work shows the feasibility to fabricate the coaxial nanodevices such as insulating high-strength cables, high frequency oscillators and nanojunctions using self-assembly approach.
URI: http://hdl.handle.net/10397/13763
ISSN: 0927-0256
DOI: 10.1016/j.commatsci.2010.09.029
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