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том 114 издание 11 страницы 4852-4856

Magnesium boride nanotubes: Relative stability and atomic and electronic structure

Тип публикацииJournal Article
Дата публикации2010-03-02
scimago Q1
wos Q3
БС1
SJR0.914
CiteScore6.2
Impact factor3.2
ISSN19327447, 19327455
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
Physical and Theoretical Chemistry
General Energy
Краткое описание
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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Journal of Physical Chemistry C
1 публикация, 12.5%
Journal of Physical Chemistry Letters
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Physical Review B
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Russian Chemical Reviews
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Physica Status Solidi (B): Basic Research
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Polymer International
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Journal of Materials Chemistry C
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American Chemical Society (ACS)
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Wiley
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Autonomous Non-profit Organization Editorial Board of the journal Uspekhi Khimii
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ГОСТ |
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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.
ГОСТ со всеми авторами (до 50) Скопировать
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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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 |
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BibTex (до 50 авторов) Скопировать
@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
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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.