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Phase stability of boron carbon nitride in a heterographene structure: A first-principles study

✍ Scribed by Yuge, Koretaka

Book ID
123613234
Publisher
The American Physical Society
Year
2009
Tongue
English
Weight
151 KB
Volume
79
Category
Article
ISSN
1098-0121

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Structural stability of a coaxial carbon
Structural stability of a coaxial carbon nanotube inside a boron–nitride nanotube
✍ Jianhui Yuan; K.M. Liew πŸ“‚ Article πŸ“… 2011 πŸ› Elsevier Science 🌐 English βš– 922 KB

The structural stability of a coaxial carbon nanotube inside a boron-nitride nanotube (C@BNNT) is investigated by molecular dynamics simulation. The geometric structures of armchair C(5,5)@BN(n,n) and zigzag C(9,0)@BN(m,0) nanotubes (n = 8-15; m = 15-22) are optimized by the density functional theor