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Nucleation stability of diamond nanowires inside carbon nanotubes: A thermodynamic approach

✍ Scribed by Q.X Liu; C.X Wang; S.W Li; J.X Zhang; G.W Yang

Book ID
108079479
Publisher
Elsevier Science
Year
2004
Tongue
English
Weight
276 KB
Volume
42
Category
Article
ISSN
0008-6223

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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