Geodesic
Energetics of carbon nanotubes with open edges: Modeling and experiment
Nanosistemy: fizika, himiâ, matematika, Tome 8 (2017) no. 5, pp. 635-640 Cet article a éte moissonné depuis la source Math-Net.Ru

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Modeling approaches based on the density functional theory (DFT): the Kohn–Sham (KS) method and orbital-free (OF) method are used to for calculation of the binding energies per atom as functions of the diameter of single-wall carbon nanotubes (SWCNTs) with the open ends. It is shown that this energy has a minimum at a diameter of about 1.1 – 1.2 nm. The experiments made by means of Raman spectroscopy have shown that diameters of SWCNTs mainly lie in the range of 1 – 1.5 nm.
Keywords: SWCNT, energy, diameter, modeling, Kohn–Sham, orbital free, Raman spectroscopy. 
@article{NANO_2017_8_5_a12,
     author = {V. G. Zavodinsk{\cyru} and O. A. Gorkusha and A. P. Kuz'menko},
     title = {Energetics of carbon nanotubes with open edges: {Modeling} and experiment},
     journal = {Nanosistemy: fizika, himi\^a, matematika},
     pages = {635--640},
     year = {2017},
     volume = {8},
     number = {5},
     language = {en},
     url = {http://geodesic.mathdoc.fr/item/NANO_2017_8_5_a12/}
}
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V. G. Zavodinskу; O. A. Gorkusha; A. P. Kuz'menko. Energetics of carbon nanotubes with open edges: Modeling and experiment. Nanosistemy: fizika, himiâ, matematika, Tome 8 (2017) no. 5, pp. 635-640. http://geodesic.mathdoc.fr/item/NANO_2017_8_5_a12/