Ionic Graphitization of Ultrathin Films of Ionic Compounds
Publication type: Journal Article
Publication date: 2016-06-29
scimago Q1
wos Q1
SJR: 1.394
CiteScore: 8.7
Impact factor: 4.6
ISSN: 19487185
PubMed ID:
27333810
Physical and Theoretical Chemistry
General Materials Science
Abstract
On the basis of ab initio density functional calculations, we performed a comprehensive investigation of the general graphitization tendency in rocksalt-type structures. In this paper, we determine the critical slab thickness for a range of ionic cubic crystal systems, below which a spontaneous conversion from a cubic to a layered graphitic-like structure occurs. This conversion is driven by surface energy reduction. Using only fundamental parameters of the compounds such as the Allen electronegativity and ionic radius of the metal atom, we also develop an analytical relation to estimate the critical number of layers.
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11
Total citations:
11
Citations from 2024:
3
(27%)
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GOST
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Kvashnin A. G. et al. Ionic Graphitization of Ultrathin Films of Ionic Compounds // Journal of Physical Chemistry Letters. 2016. Vol. 7. No. 14. pp. 2659-2663.
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Kvashnin A. G., Pashkin E. Y., Yakobson B. I., Sorokin P. B. Ionic Graphitization of Ultrathin Films of Ionic Compounds // Journal of Physical Chemistry Letters. 2016. Vol. 7. No. 14. pp. 2659-2663.
Cite this
RIS
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TY - JOUR
DO - 10.1021/acs.jpclett.6b01214
UR - https://doi.org/10.1021/acs.jpclett.6b01214
TI - Ionic Graphitization of Ultrathin Films of Ionic Compounds
T2 - Journal of Physical Chemistry Letters
AU - Kvashnin, Alexander G.
AU - Pashkin, E Y
AU - Yakobson, Boris I.
AU - Sorokin, Pavel B.
PY - 2016
DA - 2016/06/29
PB - American Chemical Society (ACS)
SP - 2659-2663
IS - 14
VL - 7
PMID - 27333810
SN - 1948-7185
ER -
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BibTex (up to 50 authors)
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@article{2016_Kvashnin,
author = {Alexander G. Kvashnin and E Y Pashkin and Boris I. Yakobson and Pavel B. Sorokin},
title = {Ionic Graphitization of Ultrathin Films of Ionic Compounds},
journal = {Journal of Physical Chemistry Letters},
year = {2016},
volume = {7},
publisher = {American Chemical Society (ACS)},
month = {jun},
url = {https://doi.org/10.1021/acs.jpclett.6b01214},
number = {14},
pages = {2659--2663},
doi = {10.1021/acs.jpclett.6b01214}
}
Cite this
MLA
Copy
Kvashnin, Alexander G., et al. “Ionic Graphitization of Ultrathin Films of Ionic Compounds.” Journal of Physical Chemistry Letters, vol. 7, no. 14, Jun. 2016, pp. 2659-2663. https://doi.org/10.1021/acs.jpclett.6b01214.