Open Access
Spontaneous graphitization of ultrathin cubic structures: A computational study
Тип публикации: Journal Article
Дата публикации: 2014-11-14
scimago Q1
wos Q1
БС1
SJR: 2.967
CiteScore: 14.9
Impact factor: 9.1
ISSN: 15306984, 15306992
PubMed ID:
25384500
General Chemistry
Condensed Matter Physics
General Materials Science
Mechanical Engineering
Bioengineering
Краткое описание
Results based on ab initio density functional calculations indicate that cubic diamond, boron nitride, and many other cubic structures including rocksalt share a general graphitization tendency in ultrathin films terminated by close-packed (111) surfaces. Whereas such compounds often show an energy preference for cubic rather than layered atomic arrangements in the bulk, the surface energy of layered systems is commonly lower than that of their cubic counterparts. We determine the critical slab thickness for a range of systems, below which a spontaneous conversion from a cubic to a layered graphitic structure occurs, driven by surface energy reduction in surface-dominated structures.
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ГОСТ |
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MLA
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ГОСТ
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Sorokin P. B. et al. Spontaneous graphitization of ultrathin cubic structures: A computational study // Nano Letters. 2014. Vol. 14. No. 12. pp. 7126-7130.
ГОСТ со всеми авторами (до 50)
Скопировать
Sorokin P. B., Kvashnin A. G., Zhu Z. F., Tománek D. Spontaneous graphitization of ultrathin cubic structures: A computational study // Nano Letters. 2014. Vol. 14. No. 12. pp. 7126-7130.
Цитировать
RIS
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TY - JOUR
DO - 10.1021/nl503673q
UR - https://doi.org/10.1021/nl503673q
TI - Spontaneous graphitization of ultrathin cubic structures: A computational study
T2 - Nano Letters
AU - Sorokin, Pavel B.
AU - Kvashnin, Alexander G.
AU - Zhu, Zhen Feng
AU - Tománek, David
PY - 2014
DA - 2014/11/14
PB - American Chemical Society (ACS)
SP - 7126-7130
IS - 12
VL - 14
PMID - 25384500
SN - 1530-6984
SN - 1530-6992
ER -
Цитировать
BibTex (до 50 авторов)
Скопировать
@article{2014_Sorokin,
author = {Pavel B. Sorokin and Alexander G. Kvashnin and Zhen Feng Zhu and David Tománek},
title = {Spontaneous graphitization of ultrathin cubic structures: A computational study},
journal = {Nano Letters},
year = {2014},
volume = {14},
publisher = {American Chemical Society (ACS)},
month = {nov},
url = {https://doi.org/10.1021/nl503673q},
number = {12},
pages = {7126--7130},
doi = {10.1021/nl503673q}
}
Цитировать
MLA
Скопировать
Sorokin, Pavel B., et al. “Spontaneous graphitization of ultrathin cubic structures: A computational study.” Nano Letters, vol. 14, no. 12, Nov. 2014, pp. 7126-7130. https://doi.org/10.1021/nl503673q.