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Nature Communications, volume 12, issue 1, publication number 273

Synthesis of molecular metallic barium superhydride: pseudocubic BaH12

Chen Wuhao ¹

Semenok Dmitry V. ²

Kvashnin Alexander G. ²

Huang Xiaoli ¹

Kruglov Ivan A ^{3, 4}

Galasso Michele ²

Song Hao ¹

Duan Defang ¹

Goncharov Alexander ⁵

Prakapenka V. ⁶

Oganov A. R. ²

Tian Cui ^{1, 7}

Hide authors affiliations Show authors affiliations: 7 affiliations

State Key Laboratory of Superhard Materials, College of physics, Jilin University, Changchun, China |

Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, Moscow, Russia |

Moscow Institute of Physics and Technology, Dolgoprudny, Russia |

⁴

Dukhov Research Institute of Automatics (VNIIA), Moscow, Russia |

⁵

Earth and Planets Laboratory, Carnegie Institution of Washington, Washington, USA |

⁶

Center for Advanced Radiation Sources, The University of Chicago, Chicago, USA |

⁷

School of Physical Science and Technology, Ningbo University, Ningbo, China |

Publication type: Journal Article

Publication date: 2021-01-11

Springer Nature

Journal: Nature Communications

Quartile SCImago

Quartile WOS

Impact factor: 16.6

ISSN: 20411723

DOI: 10.1038/s41467-020-20103-5

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PubMed ID: 33431840

General Chemistry

General Biochemistry, Genetics and Molecular Biology

General Physics and Astronomy

Abstract

Following the discovery of high-temperature superconductivity in the La–H system, we studied the formation of new chemical compounds in the barium-hydrogen system at pressures from 75 to 173 GPa. Using in situ generation of hydrogen from NH₃BH₃, we synthesized previously unknown superhydride BaH₁₂ with a pseudocubic (fcc) Ba sublattice in four independent experiments. Density functional theory calculations indicate close agreement between the theoretical and experimental equations of state. In addition, we identified previously known P6/mmm-BaH₂ and possibly BaH₁₀ and BaH₆ as impurities in the samples. Ab initio calculations show that newly discovered semimetallic BaH₁₂ contains H₂ and H₃^– molecular units and detached H₁₂ chains which are formed as a result of a Peierls-type distortion of the cubic cage structure. Barium dodecahydride is a unique molecular hydride with metallic conductivity that demonstrates the superconducting transition around 20 K at 140 GPa.

By date By citations

Citations by journals

	1 2 3 4 5 6
Physical Review B	Physical Review B, 6, 9.52% Physical Review B 6 publications, 9.52%
Journal of Physics Condensed Matter	Journal of Physics Condensed Matter, 4, 6.35% Journal of Physics Condensed Matter 4 publications, 6.35%
Journal of Physical Chemistry Letters	Journal of Physical Chemistry Letters, 4, 6.35% Journal of Physical Chemistry Letters 4 publications, 6.35%
Materials Today Physics	Materials Today Physics, 3, 4.76% Materials Today Physics 3 publications, 4.76%
Journal of Physical Chemistry C	Journal of Physical Chemistry C, 3, 4.76% Journal of Physical Chemistry C 3 publications, 4.76%
Advanced Materials	Advanced Materials, 2, 3.17% Advanced Materials 2 publications, 3.17%
Journal of Applied Physics	Journal of Applied Physics, 2, 3.17% Journal of Applied Physics 2 publications, 3.17%
Nanomaterials	Nanomaterials, 2, 3.17% Nanomaterials 2 publications, 3.17%
Materials	Materials, 2, 3.17% Materials 2 publications, 3.17%
Symmetry	Symmetry, 2, 3.17% Symmetry 2 publications, 3.17%
Superconductor Science and Technology	Superconductor Science and Technology, 2, 3.17% Superconductor Science and Technology 2 publications, 3.17%
Physica C: Superconductivity and its Applications	Physica C: Superconductivity and its Applications, 2, 3.17% Physica C: Superconductivity and its Applications 2 publications, 3.17%
Materials Today	Materials Today, 1, 1.59% Materials Today 1 publication, 1.59%
Matter and Radiation at Extremes	Matter and Radiation at Extremes, 1, 1.59% Matter and Radiation at Extremes 1 publication, 1.59%
Physical Review Research	Physical Review Research, 1, 1.59% Physical Review Research 1 publication, 1.59%
Modern Physics Letters B	Modern Physics Letters B, 1, 1.59% Modern Physics Letters B 1 publication, 1.59%
Condensed Matter	Condensed Matter, 1, 1.59% Condensed Matter 1 publication, 1.59%
European Physical Journal B	European Physical Journal B, 1, 1.59% European Physical Journal B 1 publication, 1.59%
Nature Communications	Nature Communications, 1, 1.59% Nature Communications 1 publication, 1.59%
npj Computational Materials	npj Computational Materials, 1, 1.59% npj Computational Materials 1 publication, 1.59%
Frontiers of Physics	Frontiers of Physics, 1, 1.59% Frontiers of Physics 1 publication, 1.59%
Journal of Superconductivity and Novel Magnetism	Journal of Superconductivity and Novel Magnetism, 1, 1.59% Journal of Superconductivity and Novel Magnetism 1 publication, 1.59%
Journal of Colloid and Interface Science	Journal of Colloid and Interface Science, 1, 1.59% Journal of Colloid and Interface Science 1 publication, 1.59%
Applied Catalysis A: General	Applied Catalysis A: General, 1, 1.59% Applied Catalysis A: General 1 publication, 1.59%
Carbon	Carbon, 1, 1.59% Carbon 1 publication, 1.59%
Chem	Chem, 1, 1.59% Chem 1 publication, 1.59%
Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes	Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes, 1, 1.59% Japanese Journal of Applied Physics, Part 1: Regular Papers & Short Notes 1 publication, 1.59%
Applied Surface Science	Applied Surface Science, 1, 1.59% Applied Surface Science 1 publication, 1.59%
Advanced Functional Materials	Advanced Functional Materials, 1, 1.59% Advanced Functional Materials 1 publication, 1.59%
Inorganic Chemistry	Inorganic Chemistry, 1, 1.59% Inorganic Chemistry 1 publication, 1.59%
	1 2 3 4 5 6

Citations by publishers

	2 4 6 8 10 12 14 16
Elsevier	Elsevier, 15, 23.81% Elsevier 15 publications, 23.81%
American Chemical Society (ACS)	American Chemical Society (ACS), 8, 12.7% American Chemical Society (ACS) 8 publications, 12.7%
American Physical Society (APS)	American Physical Society (APS), 7, 11.11% American Physical Society (APS) 7 publications, 11.11%
Multidisciplinary Digital Publishing Institute (MDPI)	Multidisciplinary Digital Publishing Institute (MDPI), 7, 11.11% Multidisciplinary Digital Publishing Institute (MDPI) 7 publications, 11.11%
IOP Publishing	IOP Publishing, 7, 11.11% IOP Publishing 7 publications, 11.11%
Springer Nature	Springer Nature, 6, 9.52% Springer Nature 6 publications, 9.52%
Wiley	Wiley, 5, 7.94% Wiley 5 publications, 7.94%
American Institute of Physics (AIP)	American Institute of Physics (AIP), 3, 4.76% American Institute of Physics (AIP) 3 publications, 4.76%
World Scientific	World Scientific, 1, 1.59% World Scientific 1 publication, 1.59%
Japan Society of Applied Physics	Japan Society of Applied Physics, 1, 1.59% Japan Society of Applied Physics 1 publication, 1.59%
Royal Society of Chemistry (RSC)	Royal Society of Chemistry (RSC), 1, 1.59% Royal Society of Chemistry (RSC) 1 publication, 1.59%
American Association for the Advancement of Science (AAAS)	American Association for the Advancement of Science (AAAS), 1, 1.59% American Association for the Advancement of Science (AAAS) 1 publication, 1.59%
Uspekhi Fizicheskikh Nauk Journal	Uspekhi Fizicheskikh Nauk Journal, 1, 1.59% Uspekhi Fizicheskikh Nauk Journal 1 publication, 1.59%
	2 4 6 8 10 12 14 16

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Chen W. et al. Synthesis of molecular metallic barium superhydride: pseudocubic BaH12 // Nature Communications. 2021. Vol. 12. No. 1. 273

GOST all authors (up to 50) Copy

Chen W., Semenok D. V., Kvashnin A. G., Huang X., Kruglov I. A., Galasso M., Song H., Duan D., Goncharov A., Prakapenka V., Oganov A. R., Tian C. Synthesis of molecular metallic barium superhydride: pseudocubic BaH12 // Nature Communications. 2021. Vol. 12. No. 1. 273

RIS |

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RIS Copy

TY - JOUR

DO - 10.1038/s41467-020-20103-5

UR - https://doi.org/10.1038%2Fs41467-020-20103-5

TI - Synthesis of molecular metallic barium superhydride: pseudocubic BaH12

T2 - Nature Communications

AU - Chen, Wuhao

AU - Semenok, Dmitry V.

AU - Kvashnin, Alexander G.

AU - Huang, Xiaoli

AU - Galasso, Michele

AU - Song, Hao

AU - Duan, Defang

AU - Goncharov, Alexander

AU - Prakapenka, V.

AU - Oganov, A. R.

AU - Kruglov, Ivan A

AU - Tian, Cui

PY - 2021

DA - 2021/01/11 00:00:00

PB - Springer Nature

IS - 1

VL - 12

PMID - 33431840

SN - 2041-1723

ER -

BibTex

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BibTex Copy

@article{2021_Chen,

author = {Wuhao Chen and Dmitry V. Semenok and Alexander G. Kvashnin and Xiaoli Huang and Michele Galasso and Hao Song and Defang Duan and Alexander Goncharov and V. Prakapenka and A. R. Oganov and Ivan A Kruglov and Cui Tian},

title = {Synthesis of molecular metallic barium superhydride: pseudocubic BaH12},

journal = {Nature Communications},

year = {2021},

volume = {12},

publisher = {Springer Nature},

month = {jan},

url = {https://doi.org/10.1038%2Fs41467-020-20103-5},

number = {1},

doi = {10.1038/s41467-020-20103-5}

}

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Springer Nature

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Nature Communications

Quartile SCImago

Quartile WOS

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16.6

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20411723 (Print)

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