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Alkali Halide Nanotubes: Structure and Stability

Accurate density functional theory (DFT) and coupled-cluster (CCSD) calculations on a series of (LiF)(n)(=2,36) neutral clusters suggest that nanotube structures with hexagonal and octagonal transversal cross sections show stability equal to or greater than that of the typical cubic form of large Li...

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Autors principals: Fernandez-Lima, Francisco A., Henkes, Aline Verônica, da Silveira, Enio F., Nascimento, Marco Antonio Chaer
Format: Artigo
Idioma:Inglês
Publicat: 2012
Matèries:
Accés en línia:https://ncbi.nlm.nih.gov/pmc/articles/PMC3873780/
https://ncbi.nlm.nih.gov/pubmed/24376901
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp208090j
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