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Structure and Dynamics of Water Confined in a Boron Nitride Nanotube

✍ Scribed by Won, C.Y.; Aluru, N.R.


Book ID
121183883
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
552 KB
Volume
112
Category
Article
ISSN
1932-7447

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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