Insights into the regularity of the formation of 2D 3d transition metal monocarbides
Konstantin V. Larionov
1, 2, 3, 4, 5, 6, 7
,
Gotthard Seifert
8
,
G. Seifert
9, 10, 11
,
Pavel B. Sorokin
1, 2, 3, 4, 5, 6, 7
4
Moscow
5
RUSSIAN FEDERATION
|
7
Institute lane 9
8
Technische Universitaet Dresden, Bergstr. 66b, Dresden, Germany
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9
Technische Universitaet Dresden
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10
Dresden
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11
GERMANY
|
Тип публикации: Journal Article
Дата публикации: 2020-05-21
scimago Q1
wos Q1
БС1
SJR: 1.245
CiteScore: 9.9
Impact factor: 5.1
ISSN: 20403364, 20403372
PubMed ID:
32614013
General Materials Science
Краткое описание
Recently, several theoretical predictions have been made about 2D planar FeC, CoC, NiC, and CuC, while their bulk phases still remain unknown. Here, we present a generalization of the 2D family of 3d transition metal monocarbides (TMC) by searching for their stable configurations with DFT methods and an evolutionary algorithm. It is found that in the TMC row (TM = Sc-Cu) the tendency of 3D rocksalt phase formation is monotonously interchanged with 2D phase appearance, namely, planar orthorhombic TMC characterized by carbon dimers inside metal hexagons. Among them, orthorhombic CoC and FeC monocarbides would likely be formed rather than any other 2D metal carbide phase or metal/graphene interface.
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Larionov K. V. et al. Insights into the regularity of the formation of 2D 3d transition metal monocarbides // Nanoscale. 2020. Vol. 12. No. 25. pp. 13407-13413.
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Larionov K. V., Seifert G., Seifert G., Sorokin P. B. Insights into the regularity of the formation of 2D 3d transition metal monocarbides // Nanoscale. 2020. Vol. 12. No. 25. pp. 13407-13413.
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TY - JOUR
DO - 10.1039/d0nr02436h
UR - https://xlink.rsc.org/?DOI=D0NR02436H
TI - Insights into the regularity of the formation of 2D 3d transition metal monocarbides
T2 - Nanoscale
AU - Larionov, Konstantin V.
AU - Seifert, Gotthard
AU - Seifert, G.
AU - Sorokin, Pavel B.
PY - 2020
DA - 2020/05/21
PB - Royal Society of Chemistry (RSC)
SP - 13407-13413
IS - 25
VL - 12
PMID - 32614013
SN - 2040-3364
SN - 2040-3372
ER -
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@article{2020_Larionov,
author = {Konstantin V. Larionov and Gotthard Seifert and G. Seifert and Pavel B. Sorokin},
title = {Insights into the regularity of the formation of 2D 3d transition metal monocarbides},
journal = {Nanoscale},
year = {2020},
volume = {12},
publisher = {Royal Society of Chemistry (RSC)},
month = {may},
url = {https://xlink.rsc.org/?DOI=D0NR02436H},
number = {25},
pages = {13407--13413},
doi = {10.1039/d0nr02436h}
}
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Larionov, Konstantin V., et al. “Insights into the regularity of the formation of 2D 3d transition metal monocarbides.” Nanoscale, vol. 12, no. 25, May. 2020, pp. 13407-13413. https://xlink.rsc.org/?DOI=D0NR02436H.
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