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Scientific Reports, volume 7, issue 1, publication number 10357

Stable reconstruction of the (110) surface and its role in pseudocapacitance of rutile-like RuO2

Zakaryan Hayk A ¹

Kvashnin Alexander G. ^{2, 3}

Oganov Artem R. ^{2, 3, 4, 5}

Hide authors affiliations Show authors affiliations: 5 affiliations

Yerevan State University, 1 Alex Manoogian St., Yerevan, Armenia |

Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, Moscow, Russian Federation |

Moscow Institute of Physics and Technology, Dolgoprudny, Russian Federation |

⁴

Department of Geosciences and Center for Materials by Design, Institute for Advanced Computational Science, State University of New York, Stony Brook, USA |

⁵

International Center for Materials Discovery, Northwestern Polytechnical University, Xi’an, China |

Publication type: Journal Article

Publication date: 2017-09-04

Springer Nature

Journal: Scientific Reports

Quartile SCImago

Quartile WOS

Impact factor: 4.6

ISSN: 20452322

DOI: 10.1038/s41598-017-10331-z

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PubMed ID: 28871095

Multidisciplinary

Abstract

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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Citations by journals

	1 2 3
Journal of Physical Chemistry C	Journal of Physical Chemistry C, 3, 10% Journal of Physical Chemistry C 3 publications, 10%
Journal of Chemical Physics	Journal of Chemical Physics, 2, 6.67% Journal of Chemical Physics 2 publications, 6.67%
Journal of the American Chemical Society	Journal of the American Chemical Society, 2, 6.67% Journal of the American Chemical Society 2 publications, 6.67%
Nature Reviews Materials	Nature Reviews Materials, 1, 3.33% Nature Reviews Materials 1 publication, 3.33%
Scientific Reports	Scientific Reports, 1, 3.33% Scientific Reports 1 publication, 3.33%
Applied Physics Letters	Applied Physics Letters, 1, 3.33% Applied Physics Letters 1 publication, 3.33%
Physical Review B	Physical Review B, 1, 3.33% Physical Review B 1 publication, 3.33%
Energies	Energies, 1, 3.33% Energies 1 publication, 3.33%
Nature Communications	Nature Communications, 1, 3.33% Nature Communications 1 publication, 3.33%
Nanoscale Research Letters	Nanoscale Research Letters, 1, 3.33% Nanoscale Research Letters 1 publication, 3.33%
Chinese Chemical Letters	Chinese Chemical Letters, 1, 3.33% Chinese Chemical Letters 1 publication, 3.33%
Cell Reports Physical Science	Cell Reports Physical Science, 1, 3.33% Cell Reports Physical Science 1 publication, 3.33%
Journal of Energy Storage	Journal of Energy Storage, 1, 3.33% Journal of Energy Storage 1 publication, 3.33%
Angewandte Chemie - International Edition	Angewandte Chemie - International Edition, 1, 3.33% Angewandte Chemie - International Edition 1 publication, 3.33%
Angewandte Chemie	Angewandte Chemie, 1, 3.33% Angewandte Chemie 1 publication, 3.33%
Chemical Reviews	Chemical Reviews, 1, 3.33% Chemical Reviews 1 publication, 3.33%
ACS Applied Energy Materials	ACS Applied Energy Materials, 1, 3.33% ACS Applied Energy Materials 1 publication, 3.33%
ACS Applied Nano Materials	ACS Applied Nano Materials, 1, 3.33% ACS Applied Nano Materials 1 publication, 3.33%
Physical Chemistry Chemical Physics	Physical Chemistry Chemical Physics, 1, 3.33% Physical Chemistry Chemical Physics 1 publication, 3.33%
Journal of Energy Chemistry	Journal of Energy Chemistry, 1, 3.33% Journal of Energy Chemistry 1 publication, 3.33%
Applied Surface Science	Applied Surface Science, 1, 3.33% Applied Surface Science 1 publication, 3.33%
Chemical Science	Chemical Science, 1, 3.33% Chemical Science 1 publication, 3.33%
ACS Applied Electronic Materials	ACS Applied Electronic Materials, 1, 3.33% ACS Applied Electronic Materials 1 publication, 3.33%
	1 2 3

Citations by publishers

	1 2 3 4 5 6 7 8 9
American Chemical Society (ACS)	American Chemical Society (ACS), 9, 30% American Chemical Society (ACS) 9 publications, 30%
Elsevier	Elsevier, 5, 16.67% Elsevier 5 publications, 16.67%
Springer Nature	Springer Nature, 4, 13.33% Springer Nature 4 publications, 13.33%
American Institute of Physics (AIP)	American Institute of Physics (AIP), 3, 10% American Institute of Physics (AIP) 3 publications, 10%
Wiley	Wiley, 2, 6.67% Wiley 2 publications, 6.67%
Royal Society of Chemistry (RSC)	Royal Society of Chemistry (RSC), 2, 6.67% Royal Society of Chemistry (RSC) 2 publications, 6.67%
American Physical Society (APS)	American Physical Society (APS), 1, 3.33% American Physical Society (APS) 1 publication, 3.33%
Multidisciplinary Digital Publishing Institute (MDPI)	Multidisciplinary Digital Publishing Institute (MDPI), 1, 3.33% Multidisciplinary Digital Publishing Institute (MDPI) 1 publication, 3.33%
	1 2 3 4 5 6 7 8 9

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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%2Fs41598-017-10331-z

TI - Stable reconstruction of the (110) surface and its role in pseudocapacitance of rutile-like RuO2

T2 - Scientific Reports

AU - Kvashnin, Alexander G.

AU - Oganov, Artem R.

AU - Zakaryan, Hayk A

PY - 2017

DA - 2017/09/04 00:00:00

PB - Springer Nature

IS - 1

VL - 7

PMID - 28871095

SN - 2045-2322

ER -

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@article{2017_Zakaryan,

author = {Alexander G. Kvashnin and Artem R. Oganov and Hayk A Zakaryan},

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%2Fs41598-017-10331-z},

number = {1},

doi = {10.1038/s41598-017-10331-z}

}

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Publisher

Springer Nature

Journal

Scientific Reports

Quartile SCImago

Quartile WOS

Impact factor

4.6

ISSN

20452322 (Print)

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