Open Access
Stable reconstruction of the (110) surface and its role in pseudocapacitance of rutile-like RuO2
Тип публикации: Journal Article
Дата публикации: 2017-09-04
scimago Q1
wos Q1
БС1
SJR: 0.874
CiteScore: 6.7
Impact factor: 3.9
ISSN: 20452322
PubMed ID:
28871095
Multidisciplinary
Краткое описание
Surfaces of rutile-like RuO2, especially the most stable (110) surface, are important for catalysis, sensing and charge storage applications. Structure, chemical composition, and properties of the surface depend on external conditions. Using the evolutionary prediction method USPEX, we found stable reconstructions of the (110) surface. Two stable reconstructions, RuO4–(2 × 1) and RuO2–(1 × 1), were found, and the surface phase diagram was determined. The new RuO4–(2 × 1) reconstruction is stable in a wide range of environmental conditions, its simulated STM image perfectly matches experimental data, it is more thermodynamically stable than previously proposed reconstructions, and explains well pseudocapacitance of RuO2 cathodes.
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Zakaryan H. A. et al. Stable reconstruction of the (110) surface and its role in pseudocapacitance of rutile-like RuO2 // Scientific Reports. 2017. Vol. 7. No. 1. 10357
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Zakaryan H. A., Kvashnin A. G., Oganov A. R. Stable reconstruction of the (110) surface and its role in pseudocapacitance of rutile-like RuO2 // Scientific Reports. 2017. Vol. 7. No. 1. 10357
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TY - JOUR
DO - 10.1038/s41598-017-10331-z
UR - https://doi.org/10.1038/s41598-017-10331-z
TI - Stable reconstruction of the (110) surface and its role in pseudocapacitance of rutile-like RuO2
T2 - Scientific Reports
AU - Zakaryan, Hayk A
AU - Kvashnin, Alexander G.
AU - Oganov, Artem R.
PY - 2017
DA - 2017/09/04
PB - Springer Nature
IS - 1
VL - 7
PMID - 28871095
SN - 2045-2322
ER -
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@article{2017_Zakaryan,
author = {Hayk A Zakaryan and Alexander G. Kvashnin and Artem R. Oganov},
title = {Stable reconstruction of the (110) surface and its role in pseudocapacitance of rutile-like RuO2},
journal = {Scientific Reports},
year = {2017},
volume = {7},
publisher = {Springer Nature},
month = {sep},
url = {https://doi.org/10.1038/s41598-017-10331-z},
number = {1},
pages = {10357},
doi = {10.1038/s41598-017-10331-z}
}