Abstract
Using ab initio molecular dynamics simulations, we have studied the growth mechanisms of boron-nitride (BN) nanotubes. In the experimental conditions of temperature, the behavior of single-wall BN nanotubes strongly depends on their helicity. Open-ended “zigzag” tubes close into an amorphouslike tip, preventing further growth. In the “armchair” case, the formation of squares traps the tip into a flat cap able to revert to a growing hexagonal network by incorporating incoming atoms. These findings are related to the greater stability of B-N bonds as compared to B-B or N-N bonds.
Original language | English (US) |
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Pages (from-to) | 1666-1669 |
Number of pages | 4 |
Journal | Physical review letters |
Volume | 80 |
Issue number | 8 |
DOIs | |
State | Published - Feb 23 1998 |
Externally published | Yes |
All Science Journal Classification (ASJC) codes
- General Physics and Astronomy