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volume 114 issue 11 pages 4852-4856

Magnesium boride nanotubes: Relative stability and atomic and electronic structure

Leonid A. Chernozatonskii 1
Pavel V. Avramov 1
Boris I. Yakobson 1
Publication typeJournal Article
Publication date2010-03-02
scimago Q1
wos Q3
SJR0.914
CiteScore6.2
Impact factor3.2
ISSN19327447, 19327455
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
Physical and Theoretical Chemistry
General Energy
Abstract
A comparative study of the energies and the electronic structure of MgBx nanotubes is performed within the framework of the density functional theory. Different basic compositions (x ) 2 for diboride and x ) 3 for triboride) and different diameters (3 A < D < 18 A), as well the exterior, interior, and staggered placement of magnesium atoms, are considered. Energy analysis reveals a nontrivial bending behavior of the MgB2 sheets, such that the tubes with exterior and staggered configurations display the energy minima at certain small diameters (of the boron cage sublattice). The semiconducting behavior of narrow MgB2 nanotubes with exterior Mg position was observed.
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Sorokin P. B. et al. Magnesium boride nanotubes: Relative stability and atomic and electronic structure // Journal of Physical Chemistry C. 2010. Vol. 114. No. 11. pp. 4852-4856.
GOST all authors (up to 50) Copy
Sorokin P. B., Chernozatonskii L. A., Avramov P. V., Yakobson B. I. Magnesium boride nanotubes: Relative stability and atomic and electronic structure // Journal of Physical Chemistry C. 2010. Vol. 114. No. 11. pp. 4852-4856.
RIS |
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RIS Copy
TY - JOUR
DO - 10.1021/jp9112014
UR - https://doi.org/10.1021/jp9112014
TI - Magnesium boride nanotubes: Relative stability and atomic and electronic structure
T2 - Journal of Physical Chemistry C
AU - Sorokin, Pavel B.
AU - Chernozatonskii, Leonid A.
AU - Avramov, Pavel V.
AU - Yakobson, Boris I.
PY - 2010
DA - 2010/03/02
PB - American Chemical Society (ACS)
SP - 4852-4856
IS - 11
VL - 114
SN - 1932-7447
SN - 1932-7455
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{2010_Sorokin,
author = {Pavel B. Sorokin and Leonid A. Chernozatonskii and Pavel V. Avramov and Boris I. Yakobson},
title = {Magnesium boride nanotubes: Relative stability and atomic and electronic structure},
journal = {Journal of Physical Chemistry C},
year = {2010},
volume = {114},
publisher = {American Chemical Society (ACS)},
month = {mar},
url = {https://doi.org/10.1021/jp9112014},
number = {11},
pages = {4852--4856},
doi = {10.1021/jp9112014}
}
MLA
Cite this
MLA Copy
Sorokin, Pavel B., et al. “Magnesium boride nanotubes: Relative stability and atomic and electronic structure.” Journal of Physical Chemistry C, vol. 114, no. 11, Mar. 2010, pp. 4852-4856. https://doi.org/10.1021/jp9112014.