Open Access
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

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
Publication typeJournal Article
Publication date2020-07-02
Journal: Advanced Science
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor15.1
ISSN21983844
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.

Citations by journals

1
2
Inorganic Chemistry
Inorganic Chemistry, 2, 11.76%
Inorganic Chemistry
2 publications, 11.76%
Chemistry of Materials
Chemistry of Materials, 1, 5.88%
Chemistry of Materials
1 publication, 5.88%
npj Computational Materials
npj Computational Materials, 1, 5.88%
npj Computational Materials
1 publication, 5.88%
Physical Review B
Physical Review B, 1, 5.88%
Physical Review B
1 publication, 5.88%
Metals
Metals, 1, 5.88%
Metals
1 publication, 5.88%
Crystal Growth and Design
Crystal Growth and Design, 1, 5.88%
Crystal Growth and Design
1 publication, 5.88%
Physics Letters, Section A: General, Atomic and Solid State Physics
Physics Letters, Section A: General, Atomic and Solid State Physics, 1, 5.88%
Physics Letters, Section A: General, Atomic and Solid State Physics
1 publication, 5.88%
Journal of Physics Condensed Matter
Journal of Physics Condensed Matter, 1, 5.88%
Journal of Physics Condensed Matter
1 publication, 5.88%
Scripta Materialia
Scripta Materialia, 1, 5.88%
Scripta Materialia
1 publication, 5.88%
Advanced Materials
Advanced Materials, 1, 5.88%
Advanced Materials
1 publication, 5.88%
Journal of Physical Chemistry C
Journal of Physical Chemistry C, 1, 5.88%
Journal of Physical Chemistry C
1 publication, 5.88%
RSC Advances
RSC Advances, 1, 5.88%
RSC Advances
1 publication, 5.88%
Journal of Materials Chemistry A
Journal of Materials Chemistry A, 1, 5.88%
Journal of Materials Chemistry A
1 publication, 5.88%
Journal of Materials Chemistry C
Journal of Materials Chemistry C, 1, 5.88%
Journal of Materials Chemistry C
1 publication, 5.88%
Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics, 1, 5.88%
Physical Chemistry Chemical Physics
1 publication, 5.88%
Nuclear Fusion
Nuclear Fusion, 1, 5.88%
Nuclear Fusion
1 publication, 5.88%
1
2

Citations by publishers

1
2
3
4
5
American Chemical Society (ACS)
American Chemical Society (ACS), 5, 29.41%
American Chemical Society (ACS)
5 publications, 29.41%
Royal Society of Chemistry (RSC)
Royal Society of Chemistry (RSC), 4, 23.53%
Royal Society of Chemistry (RSC)
4 publications, 23.53%
Elsevier
Elsevier, 2, 11.76%
Elsevier
2 publications, 11.76%
IOP Publishing
IOP Publishing, 2, 11.76%
IOP Publishing
2 publications, 11.76%
Springer Nature
Springer Nature, 1, 5.88%
Springer Nature
1 publication, 5.88%
American Physical Society (APS)
American Physical Society (APS), 1, 5.88%
American Physical Society (APS)
1 publication, 5.88%
Multidisciplinary Digital Publishing Institute (MDPI)
Multidisciplinary Digital Publishing Institute (MDPI), 1, 5.88%
Multidisciplinary Digital Publishing Institute (MDPI)
1 publication, 5.88%
Wiley
Wiley, 1, 5.88%
Wiley
1 publication, 5.88%
1
2
3
4
5
  • 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.
Metrics
Share
Cite this
GOST |
Cite this
GOST Copy
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.
GOST all authors (up to 50) Copy
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.
RIS |
Cite this
RIS Copy
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 -
BibTex |
Cite this
BibTex Copy
@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}
}
MLA
Cite this
MLA Copy
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.
Found error?