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.
| Original language | English |
|---|---|
| Pages (from-to) | 645-650 |
| Number of pages | 6 |
| Journal | Computational Materials Science |
| Volume | 50 |
| Issue number | 2 |
| DOIs | |
| Publication status | Published - 1 Dec 2010 |
Keywords
- Carbon nanotubes and boron nitride nanotubes
- Molecular dynamics simulations
- Nanodevices
- Polarization
- Self-assembly
ASJC Scopus subject areas
- General Computer Science
- General Chemistry
- General Materials Science
- Mechanics of Materials
- General Physics and Astronomy
- Computational Mathematics