Energetics and Structural Investigation of Double-Walled Carbon and Silicon Nanotubes
Keyword(s):
AbstractUsing two different approaches: Monte Carlo simulations with Tersoff empirical potential and first principles calculations, the energetics and the structural properties of double-walled carbon and silicon nanotubes are investigated. Through Tersoff potential, the changes on cohesive energies for the Si and C systems are determined for several outer tubules for a fixed inner tube. Adopting first principles calculations, based on density functional theory, the trends, in terms of the cohesive energies, are compared with the corresponding obtained results using Tersoff empirical potential. The structures, specially of the most stable double-walled nanotubes, are discussed.
2019 ◽
Vol 21
(22)
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pp. 11731-11739
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2017 ◽
Vol 19
(5)
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pp. 3679-3687
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2015 ◽
Vol 17
(45)
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pp. 30598-30605
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2014 ◽
Vol 1015
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pp. 377-380
2020 ◽
Vol 22
(17)
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pp. 9677-9684
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2017 ◽
Vol 19
(23)
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pp. 15021-15029
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