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Teorinis α- ir γ-V2O5 dvigubų sienelių nanovamzdelių tyrimas. / Porsev, V. V.; Bandura, A. V.; Evarestov, R. A.

в: Lithuanian Journal of Physics, Том 56, № 2, 2016, стр. 79-85.

Результаты исследований: Научные публикации в периодических изданиях › статья › Рецензирование

Harvard

Porsev, VV, Bandura, AV & Evarestov, RA 2016, 'Teorinis α- ir γ-V2O5 dvigubų sienelių nanovamzdelių tyrimas', Lithuanian Journal of Physics, Том. 56, № 2, стр. 79-85. https://doi.org/10.3952/physics.v56i2.3303

APA

Porsev, V. V., Bandura, A. V., & Evarestov, R. A. (2016). Teorinis α- ir γ-V2O5 dvigubų sienelių nanovamzdelių tyrimas. Lithuanian Journal of Physics, 56(2), 79-85. https://doi.org/10.3952/physics.v56i2.3303

Vancouver

Porsev VV, Bandura AV, Evarestov RA. Teorinis α- ir γ-V2O5 dvigubų sienelių nanovamzdelių tyrimas. Lithuanian Journal of Physics. 2016;56(2):79-85. https://doi.org/10.3952/physics.v56i2.3303

Author

Porsev, V. V. ; Bandura, A. V. ; Evarestov, R. A. / Teorinis α- ir γ-V2O5 dvigubų sienelių nanovamzdelių tyrimas. в: Lithuanian Journal of Physics. 2016 ; Том 56, № 2. стр. 79-85.

BibTeX

@article{b27bed8321a04715828993688806e837,
title = "Teorinis α- ir γ-V2O5 dvigubų sienelių nanovamzdelių tyrimas",
abstract = "The first-principles calculations of the atomic and electronic structure of double-walled nanotubes (DWNTs) of γ-V2O5 have been performed and the obtained properties have been compared with those of α-V2O5 ones. The DWNT structure relaxation leads to the formation of two types of local regions: (1) adhesion regions and (2) puckering regions. Although the structure of adhesion regions of α-V2O5 DWNTs is close to the structure of bulk α-V2O5, this is not the case for γ-V2O5 DWNTs. The resulting structure of adhesion regions in γ-V2O5 SWNTs allows us to assume the existence of hypothetical stable phases, with one of them resembling the experimentally observed R-Nb2O5 and (V0.7Mo0.3)2O5 crystals.",
keywords = "DFT, Nanotubes, Vanadium pentoxide",
author = "Porsev, {V. V.} and Bandura, {A. V.} and Evarestov, {R. A.}",
year = "2016",
doi = "10.3952/physics.v56i2.3303",
language = "литовский",
volume = "56",
pages = "79--85",
journal = "Lithuanian Journal of Physics",
issn = "1648-8504",
publisher = "Lithuanian Physical Society",
number = "2",

}

RIS

TY - JOUR

T1 - Teorinis α- ir γ-V2O5 dvigubų sienelių nanovamzdelių tyrimas

AU - Porsev, V. V.

AU - Bandura, A. V.

AU - Evarestov, R. A.

PY - 2016

Y1 - 2016

N2 - The first-principles calculations of the atomic and electronic structure of double-walled nanotubes (DWNTs) of γ-V2O5 have been performed and the obtained properties have been compared with those of α-V2O5 ones. The DWNT structure relaxation leads to the formation of two types of local regions: (1) adhesion regions and (2) puckering regions. Although the structure of adhesion regions of α-V2O5 DWNTs is close to the structure of bulk α-V2O5, this is not the case for γ-V2O5 DWNTs. The resulting structure of adhesion regions in γ-V2O5 SWNTs allows us to assume the existence of hypothetical stable phases, with one of them resembling the experimentally observed R-Nb2O5 and (V0.7Mo0.3)2O5 crystals.

AB - The first-principles calculations of the atomic and electronic structure of double-walled nanotubes (DWNTs) of γ-V2O5 have been performed and the obtained properties have been compared with those of α-V2O5 ones. The DWNT structure relaxation leads to the formation of two types of local regions: (1) adhesion regions and (2) puckering regions. Although the structure of adhesion regions of α-V2O5 DWNTs is close to the structure of bulk α-V2O5, this is not the case for γ-V2O5 DWNTs. The resulting structure of adhesion regions in γ-V2O5 SWNTs allows us to assume the existence of hypothetical stable phases, with one of them resembling the experimentally observed R-Nb2O5 and (V0.7Mo0.3)2O5 crystals.

KW - DFT

KW - Nanotubes

KW - Vanadium pentoxide

UR - http://www.scopus.com/inward/record.url?scp=84979902014&partnerID=8YFLogxK

U2 - 10.3952/physics.v56i2.3303

DO - 10.3952/physics.v56i2.3303

M3 - статья

AN - SCOPUS:84979902014

VL - 56

SP - 79

EP - 85

JO - Lithuanian Journal of Physics

JF - Lithuanian Journal of Physics

SN - 1648-8504

IS - 2

ER -

ID: 13394479