Open Access
Advanced Science, volume 7, issue 16, pages 2000775
WB 5− x : Synthesis, Properties, and Crystal Structure—New Insights into the Long‐Debated Compound
Rybkovskiy Dmitry V.
1, 2
,
Filonenko Vladimir P.
3
,
Bugakov Vasilii I
3
,
Zibrov Igor P.
3
,
Oganov A. R.
1, 4, 5
,
Osiptsov Andrey A
1
,
Zakirov Artem Ya
6
5
6
Gazpromneft Science & Technology Center 75‐79 Moika River Embankment, Bldg. D St. Petersburg 190000 Russia
|
Publication type: Journal Article
Publication date: 2020-07-02
PubMed ID:
32832351
Medicine (miscellaneous)
General Chemical Engineering
General Physics and Astronomy
General Materials Science
General Engineering
Biochemistry, Genetics and Molecular Biology (miscellaneous)
Abstract
Abstract The recent theoretical prediction of a new compound, WB5, has spurred the interest in tungsten borides and their possible implementation in industry. In this research, the experimental synthesis and structural description of a boron‐rich tungsten boride and measurements of its mechanical properties are performed. The ab initio calculations of the structural energies corresponding to different local structures make it possible to formulate the rules determining the likely local motifs in the disordered versions of the WB5 structure, all of which involve boron deficit. The generated disordered WB4.18 and WB4.86 models both perfectly match the experimental data, but the former is the most energetically preferable. The precise crystal structure, elastic constants, hardness, and fracture toughness of this phase are calculated, and these results agree with the experimental findings. Because of the compositional and structural similarity with predicted WB5, this phase is denoted as WB5− x. Previously incorrectly referred to as “WB4,” it is distinct from earlier theoretically suggested WB4, a phase with a different crystal structure that has not yet been synthesized and is predicted to be thermodynamically stable at pressures above 1 GPa. Mild synthesis conditions (enabling a scalable synthesis) and excellent mechanical properties make WB5− x a very promising material for drilling technology.
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1 publication, 5.88%
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1 publication, 5.88%
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1
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Citations by publishers
1
2
3
4
5
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American Chemical Society (ACS)
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5 publications, 29.41%
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4 publications, 23.53%
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Elsevier
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2 publications, 11.76%
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2 publications, 11.76%
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1 publication, 5.88%
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1 publication, 5.88%
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Multidisciplinary Digital Publishing Institute (MDPI)
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1 publication, 5.88%
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Wiley
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Wiley
1 publication, 5.88%
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1
2
3
4
5
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- We do not take into account publications that without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Kvashnin A. G. et al. WB 5− x : Synthesis, Properties, and Crystal Structure—New Insights into the Long‐Debated Compound // Advanced Science. 2020. Vol. 7. No. 16. p. 2000775.
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Kvashnin A. G., Rybkovskiy D. V., Filonenko V. P., Bugakov V. I., Zibrov I. P., Brazhkin V. V., Oganov A. R., Osiptsov A. A., Zakirov A. Ya. WB 5− x : Synthesis, Properties, and Crystal Structure—New Insights into the Long‐Debated Compound // Advanced Science. 2020. Vol. 7. No. 16. p. 2000775.
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TY - JOUR
DO - 10.1002/advs.202000775
UR - https://doi.org/10.1002%2Fadvs.202000775
TI - WB 5− x : Synthesis, Properties, and Crystal Structure—New Insights into the Long‐Debated Compound
T2 - Advanced Science
AU - Filonenko, Vladimir P.
AU - Bugakov, Vasilii I
AU - Osiptsov, Andrey A
AU - Zakirov, Artem Ya
AU - Kvashnin, Alexander G.
AU - Rybkovskiy, Dmitry V.
AU - Zibrov, Igor P.
AU - Brazhkin, Vadim V.
AU - Oganov, A. R.
PY - 2020
DA - 2020/07/02 00:00:00
PB - Wiley
SP - 2000775
IS - 16
VL - 7
PMID - 32832351
SN - 2198-3844
ER -
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@article{2020_Kvashnin
author = {Vladimir P. Filonenko and Vasilii I Bugakov and Andrey A Osiptsov and Artem Ya Zakirov and Alexander G. Kvashnin and Dmitry V. Rybkovskiy and Igor P. Zibrov and Vadim V. Brazhkin and A. R. Oganov},
title = {WB 5− x : Synthesis, Properties, and Crystal Structure—New Insights into the Long‐Debated Compound},
journal = {Advanced Science},
year = {2020},
volume = {7},
publisher = {Wiley},
month = {jul},
url = {https://doi.org/10.1002%2Fadvs.202000775},
number = {16},
pages = {2000775},
doi = {10.1002/advs.202000775}
}
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Kvashnin, Alexander G., et al. “WB 5− x : Synthesis, Properties, and Crystal Structure—New Insights into the Long‐Debated Compound.” Advanced Science, vol. 7, no. 16, Jul. 2020, p. 2000775. https://doi.org/10.1002%2Fadvs.202000775.