Chemistry of Materials

, volume 32 , issue 16 , pages 7028-7035

Computational Search for New W–Mo–B Compounds

Alexander G. Kvashnin ¹

Christian Tantardini ^{1, 2, 3}

Hayk A Zakaryan ⁴

Yulia A Kvashnina ⁵

A. R. Oganov ¹

Hide authors affiliations Show authors affiliations: 5 affiliations

Skolkovo Institute of Science and Technology, 30 Bolshoi Boulevard, Moscow 121025, Russian Federation |

Institute of Solid State Chemistry and Mechanochemistry SB RAS, ul. Kutateladze 18, 630128 Novosibirsk, Russian Federation |

Linköping University, SE-581 83 Linköping, Sweden |

⁴

Yerevan State University, 1 Alex Manoogian Street, Yerevan 0025, Armenia |

⁵

Pirogov Russian National Research Medical University, 1 Ostrovityanova Street, Moscow 117997, Russian Federation |

Publication type: Journal Article

Publication date: 2020-07-17

American Chemical Society (ACS)

Chemistry of Materials

scimago Q1

wos Q1

SJR: 2.065

CiteScore: 12.0

Impact factor: 7.0

ISSN: 08974756, 15205002

DOI: 10.1021/acs.chemmater.0c02440

Copy DOI

Materials Chemistry

General Chemistry

General Chemical Engineering

Abstract

Crystal structure prediction of new ternary compounds is challenging due to very large chemical space with many possible compositions, few of which turn out to be stable. Using evolutionary algorit...

Found

2 citations

Chepkasov Ilya

🥼 🤝

53 publications, 526 citations, 6 reviews

h-index: 13

Skolkovo Institute of Science and Technology

1 citation

Kvashnin Alexander

🥼 🤝

DSc in Physics and Mathematics

108 publications, 6 305 citations, 35 reviews

h-index: 32

Skolkovo Institute of Science and Technology

Functional composite materials

1 citation

Evlashin Stanislav

148 publications, 1 939 citations, 22 reviews

h-index: 26

1 citation

Dallakyan Olgert

5 publications, 3 citations

h-index: 1

Yerevan State University

Research interests

Computational chemistry

Materials Science

Quantum Chemistry

1 citation

Pak Alexander

🥼 🤝

DSc in Engineering

109 publications, 578 citations, 4 reviews

h-index: 12

National Research Tomsk Polytechnic University

Electric arc synthesis

Highly entropic materials

Materials Science

Plasma waste disposal

Vacuum-free plasma synthesis

1 citation

Kuzminova Yulia

🤝

PhD in Engineering

33 publications, 655 citations, 11 reviews

h-index: 14

Research interests

3D printing

Additive technologies

1 citation

Nikitin Dmitriy

🤝

PhD in Engineering

59 publications, 350 citations, 29 reviews

h-index: 12

National Research Tomsk Polytechnic University

Mechanical properties of materials

Nanomaterials

Nanotechnology

Plasma chemistry

X-ray diffraction analysis

1 citation

Maltsev Alexey

13 publications, 98 citations

h-index: 6

Top-30

Journals

	1 2 3
npj Computational Materials	npj Computational Materials, 3, 11.54% npj Computational Materials 3 publications, 11.54%
Advanced Functional Materials	Advanced Functional Materials, 1, 3.85% Advanced Functional Materials 1 publication, 3.85%
Journal of Physical Chemistry Letters	Journal of Physical Chemistry Letters, 1, 3.85% Journal of Physical Chemistry Letters 1 publication, 3.85%
Metals	Metals, 1, 3.85% Metals 1 publication, 3.85%
Materials	Materials, 1, 3.85% Materials 1 publication, 3.85%
Plasma Chemistry and Plasma Processing	Plasma Chemistry and Plasma Processing, 1, 3.85% Plasma Chemistry and Plasma Processing 1 publication, 3.85%
Crystal Growth and Design	Crystal Growth and Design, 1, 3.85% Crystal Growth and Design 1 publication, 3.85%
Applied Surface Science	Applied Surface Science, 1, 3.85% Applied Surface Science 1 publication, 3.85%
Advanced Science	Advanced Science, 1, 3.85% Advanced Science 1 publication, 3.85%
Nanoscale Advances	Nanoscale Advances, 1, 3.85% Nanoscale Advances 1 publication, 3.85%
Science advances	Science advances, 1, 3.85% Science advances 1 publication, 3.85%
Chemistry of Materials	Chemistry of Materials, 1, 3.85% Chemistry of Materials 1 publication, 3.85%
Crystals	Crystals, 1, 3.85% Crystals 1 publication, 3.85%
Ceramics International	Ceramics International, 1, 3.85% Ceramics International 1 publication, 3.85%
Computer Science and Application	Computer Science and Application, 1, 3.85% Computer Science and Application 1 publication, 3.85%
Frontiers in Chemistry	Frontiers in Chemistry, 1, 3.85% Frontiers in Chemistry 1 publication, 3.85%
Materialia	Materialia, 1, 3.85% Materialia 1 publication, 3.85%
Acta Materialia	Acta Materialia, 1, 3.85% Acta Materialia 1 publication, 3.85%
Journal of Chemical Physics	Journal of Chemical Physics, 1, 3.85% Journal of Chemical Physics 1 publication, 3.85%
Computational Materials Science	Computational Materials Science, 1, 3.85% Computational Materials Science 1 publication, 3.85%
Journal of Applied Physics	Journal of Applied Physics, 1, 3.85% Journal of Applied Physics 1 publication, 3.85%
Advanced Theory and Simulations	Advanced Theory and Simulations, 1, 3.85% Advanced Theory and Simulations 1 publication, 3.85%
Journal of Energy Chemistry	Journal of Energy Chemistry, 1, 3.85% Journal of Energy Chemistry 1 publication, 3.85%
Computer Physics Communications	Computer Physics Communications, 1, 3.85% Computer Physics Communications 1 publication, 3.85%
	1 2 3

Publishers

	1 2 3 4 5 6 7
Elsevier	Elsevier, 7, 26.92% Elsevier 7 publications, 26.92%
Springer Nature	Springer Nature, 4, 15.38% Springer Nature 4 publications, 15.38%
Wiley	Wiley, 3, 11.54% Wiley 3 publications, 11.54%
American Chemical Society (ACS)	American Chemical Society (ACS), 3, 11.54% American Chemical Society (ACS) 3 publications, 11.54%
MDPI	MDPI, 3, 11.54% MDPI 3 publications, 11.54%
AIP Publishing	AIP Publishing, 2, 7.69% AIP Publishing 2 publications, 7.69%
Royal Society of Chemistry (RSC)	Royal Society of Chemistry (RSC), 1, 3.85% Royal Society of Chemistry (RSC) 1 publication, 3.85%
American Association for the Advancement of Science (AAAS)	American Association for the Advancement of Science (AAAS), 1, 3.85% American Association for the Advancement of Science (AAAS) 1 publication, 3.85%
Hans Publishers	Hans Publishers, 1, 3.85% Hans Publishers 1 publication, 3.85%
Frontiers Media S.A.	Frontiers Media S.A., 1, 3.85% Frontiers Media S.A. 1 publication, 3.85%
	1 2 3 4 5 6 7

We do not take into account publications without a DOI.
Statistics recalculated weekly.

Are you a researcher?

Create a profile to get free access to personal recommendations for colleagues and new articles.

Metrics

Cite this

GOST |

Cite this

GOST Copy

Kvashnin A. G. et al. Computational Search for New W–Mo–B Compounds // Chemistry of Materials. 2020. Vol. 32. No. 16. pp. 7028-7035.

GOST all authors (up to 50) Copy

Kvashnin A. G., Tantardini C., Zakaryan H. A., Kvashnina Y. A., Oganov A. R. Computational Search for New W–Mo–B Compounds // Chemistry of Materials. 2020. Vol. 32. No. 16. pp. 7028-7035.

RIS |

Cite this

RIS Copy

TY - JOUR

DO - 10.1021/acs.chemmater.0c02440

UR - https://doi.org/10.1021/acs.chemmater.0c02440

TI - Computational Search for New W–Mo–B Compounds

T2 - Chemistry of Materials

AU - Kvashnin, Alexander G.

AU - Tantardini, Christian

AU - Zakaryan, Hayk A

AU - Kvashnina, Yulia A

AU - Oganov, A. R.

PY - 2020

DA - 2020/07/17

PB - American Chemical Society (ACS)

SP - 7028-7035

IS - 16

VL - 32

SN - 0897-4756

SN - 1520-5002

ER -

BibTex |

Cite this

BibTex (up to 50 authors) Copy

@article{2020_Kvashnin,

author = {Alexander G. Kvashnin and Christian Tantardini and Hayk A Zakaryan and Yulia A Kvashnina and A. R. Oganov},

title = {Computational Search for New W–Mo–B Compounds},

journal = {Chemistry of Materials},

year = {2020},

volume = {32},

publisher = {American Chemical Society (ACS)},

month = {jul},

url = {https://doi.org/10.1021/acs.chemmater.0c02440},

number = {16},

pages = {7028--7035},

doi = {10.1021/acs.chemmater.0c02440}

}

MLA

Cite this

MLA Copy

Kvashnin, Alexander G., et al. “Computational Search for New W–Mo–B Compounds.” Chemistry of Materials, vol. 32, no. 16, Jul. 2020, pp. 7028-7035. https://doi.org/10.1021/acs.chemmater.0c02440.

Publisher

American Chemical Society (ACS)

Journal

Chemistry of Materials

scimago Q1

wos Q1

SJR

2.065

CiteScore

12.0

Impact factor

7.0

ISSN

08974756 (Print)

15205002 (Electronic)

Labs

Profiles