Journal of Physical Chemistry C, volume 122, issue 34, pages 19370-19378

New Calcium Hydrides with Mixed Atomic and Molecular Hydrogen

Mishra Ajay Kumar ¹

Muramatsu Takaki ¹

Liu Hanyu ¹

Geballe Z. M. ¹

Somayazulu M. ^{1, 2}

Ahart M. ²

Baldini Maria ¹

Meng Yue ³

Zurek Eva D. ⁴

Hemley R. J. ²

Hide authors affiliations Show authors affiliations: 4 affiliations

Geophysical Laboratory, Carnegie Institution of Washington, Washington, D.C. 20015, United States |

Institute of Materials Science and Department of Civil and Environmental Engineering, The George Washington University, Washington, D.C. 20052, United States |

HPCAT, X-ray Sciences Division, Argonne National Laboratory, Argonne, Illinois 60437, United States |

⁴

Department of Chemistry, University at Buffalo, State University of New York, Buffalo, New York 14260, United States |

Publication type: Journal Article

Publication date: 2018-07-31

American Chemical Society (ACS)

Journal: Journal of Physical Chemistry C

Quartile SCImago

Quartile WOS

Impact factor: 3.7

ISSN: 19327447, 19327455

DOI: 10.1021/acs.jpcc.8b05030

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Surfaces, Coatings and Films

Electronic, Optical and Magnetic Materials

Physical and Theoretical Chemistry

General Energy

Abstract

Two new polyhydrides of calcium have been synthesized at high pressures and high temperatures and characterized by Raman spectroscopy, infrared spectroscopy, and synchrotron X-ray diffraction. Above 20 GPa and 700 K, we synthesize a phase having a monoclinic (C2/m) structure with Ca2H5 composition, which is characterized by a distinctive vibration at 3789 cm–1 at 25 GPa. The observed Raman spectrum is in close agreement with first-principles calculations of a Ca2H5 structure characterized by a lattice containing a central layer of H2 molecules oriented along the (100) direction. At higher pressures (e.g., 116 GPa and 1600 K), we synthesize another phase, which has the composition of CaH4 and a denser body-centered tetragonal structure. This weakly metallic phase also contains molecular-like H2 units, and its spectroscopic as well as diffraction signatures match closely with those predicted from first-principles calculations. This phase is observed to persist on decompression to 60 GPa at room temperature....

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Citations by journals

	1 2 3 4 5
Journal of Physical Chemistry C	Journal of Physical Chemistry C, 5, 13.16% Journal of Physical Chemistry C 5 publications, 13.16%
Journal of Physical Chemistry Letters	Journal of Physical Chemistry Letters, 4, 10.53% Journal of Physical Chemistry Letters 4 publications, 10.53%
Journal of Chemical Physics	Journal of Chemical Physics, 3, 7.89% Journal of Chemical Physics 3 publications, 7.89%
Physical Chemistry Chemical Physics	Physical Chemistry Chemical Physics, 3, 7.89% Physical Chemistry Chemical Physics 3 publications, 7.89%
Physical Review B	Physical Review B, 2, 5.26% Physical Review B 2 publications, 5.26%
Materials Today Physics	Materials Today Physics, 2, 5.26% Materials Today Physics 2 publications, 5.26%
Materials Today	Materials Today, 1, 2.63% Materials Today 1 publication, 2.63%
Current Opinion in Solid State and Materials Science	Current Opinion in Solid State and Materials Science, 1, 2.63% Current Opinion in Solid State and Materials Science 1 publication, 2.63%
Inorganic Chemistry	Inorganic Chemistry, 1, 2.63% Inorganic Chemistry 1 publication, 2.63%
Journal of Applied Physics	Journal of Applied Physics, 1, 2.63% Journal of Applied Physics 1 publication, 2.63%
Crystals	Crystals, 1, 2.63% Crystals 1 publication, 2.63%
Applied Physics A: Materials Science and Processing	Applied Physics A: Materials Science and Processing, 1, 2.63% Applied Physics A: Materials Science and Processing 1 publication, 2.63%
Frontiers of Physics	Frontiers of Physics, 1, 2.63% Frontiers of Physics 1 publication, 2.63%
Nature Reviews Chemistry	Nature Reviews Chemistry, 1, 2.63% Nature Reviews Chemistry 1 publication, 2.63%
SSRN Electronic Journal	SSRN Electronic Journal, 1, 2.63% SSRN Electronic Journal 1 publication, 2.63%
Physics Reports	Physics Reports, 1, 2.63% Physics Reports 1 publication, 2.63%
Physics Letters, Section A: General, Atomic and Solid State Physics	Physics Letters, Section A: General, Atomic and Solid State Physics, 1, 2.63% Physics Letters, Section A: General, Atomic and Solid State Physics 1 publication, 2.63%
Physica B: Condensed Matter	Physica B: Condensed Matter, 1, 2.63% Physica B: Condensed Matter 1 publication, 2.63%
Chemistry - A European Journal	Chemistry - A European Journal, 1, 2.63% Chemistry - A European Journal 1 publication, 2.63%
Greenhouse Gases: Science and Technology	Greenhouse Gases: Science and Technology, 1, 2.63% Greenhouse Gases: Science and Technology 1 publication, 2.63%
ACS Omega	ACS Omega, 1, 2.63% ACS Omega 1 publication, 2.63%
Physical Review Letters	Physical Review Letters, 1, 2.63% Physical Review Letters 1 publication, 2.63%
Review of Scientific Instruments	Review of Scientific Instruments, 1, 2.63% Review of Scientific Instruments 1 publication, 2.63%
	1 2 3 4 5

Citations by publishers

	2 4 6 8 10 12
American Chemical Society (ACS)	American Chemical Society (ACS), 11, 28.95% American Chemical Society (ACS) 11 publications, 28.95%
Elsevier	Elsevier, 7, 18.42% Elsevier 7 publications, 18.42%
American Institute of Physics (AIP)	American Institute of Physics (AIP), 5, 13.16% American Institute of Physics (AIP) 5 publications, 13.16%
American Physical Society (APS)	American Physical Society (APS), 3, 7.89% American Physical Society (APS) 3 publications, 7.89%
Springer Nature	Springer Nature, 3, 7.89% Springer Nature 3 publications, 7.89%
Royal Society of Chemistry (RSC)	Royal Society of Chemistry (RSC), 3, 7.89% Royal Society of Chemistry (RSC) 3 publications, 7.89%
Wiley	Wiley, 2, 5.26% Wiley 2 publications, 5.26%
Multidisciplinary Digital Publishing Institute (MDPI)	Multidisciplinary Digital Publishing Institute (MDPI), 1, 2.63% Multidisciplinary Digital Publishing Institute (MDPI) 1 publication, 2.63%
Social Science Electronic Publishing	Social Science Electronic Publishing, 1, 2.63% Social Science Electronic Publishing 1 publication, 2.63%
	2 4 6 8 10 12

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Mishra A. K. et al. New Calcium Hydrides with Mixed Atomic and Molecular Hydrogen // Journal of Physical Chemistry C. 2018. Vol. 122. No. 34. pp. 19370-19378.

GOST all authors (up to 50) Copy

Mishra A. K., Muramatsu T., Liu H., Geballe Z. M., Somayazulu M., Ahart M., Baldini M., Meng Y., Zurek E. D., Hemley R. J. New Calcium Hydrides with Mixed Atomic and Molecular Hydrogen // Journal of Physical Chemistry C. 2018. Vol. 122. No. 34. pp. 19370-19378.

RIS |

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RIS Copy

TY - JOUR

DO - 10.1021/acs.jpcc.8b05030

UR - https://doi.org/10.1021%2Facs.jpcc.8b05030

TI - New Calcium Hydrides with Mixed Atomic and Molecular Hydrogen

T2 - Journal of Physical Chemistry C

AU - Muramatsu, Takaki

AU - Ahart, M.

AU - Baldini, Maria

AU - Meng, Yue

AU - Liu, Hanyu

AU - Somayazulu, M.

AU - Zurek, Eva D.

AU - Hemley, R. J.

AU - Mishra, Ajay Kumar

AU - Geballe, Z. M.

PY - 2018

DA - 2018/07/31 00:00:00

PB - American Chemical Society (ACS)

SP - 19370-19378

IS - 34

VL - 122

SN - 1932-7447

SN - 1932-7455

ER -

BibTex |

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BibTex Copy

@article{2018_Mishra,

author = {Takaki Muramatsu and M. Ahart and Maria Baldini and Yue Meng and Hanyu Liu and M. Somayazulu and Eva D. Zurek and R. J. Hemley and Ajay Kumar Mishra and Z. M. Geballe},

title = {New Calcium Hydrides with Mixed Atomic and Molecular Hydrogen},

journal = {Journal of Physical Chemistry C},

year = {2018},

volume = {122},

publisher = {American Chemical Society (ACS)},

month = {jul},

url = {https://doi.org/10.1021%2Facs.jpcc.8b05030},

number = {34},

pages = {19370--19378},

doi = {10.1021/acs.jpcc.8b05030}

}

MLA

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Mishra, Ajay Kumar, et al. “New Calcium Hydrides with Mixed Atomic and Molecular Hydrogen.” Journal of Physical Chemistry C, vol. 122, no. 34, Jul. 2018, pp. 19370-19378. https://doi.org/10.1021%2Facs.jpcc.8b05030.

Found error?

Publisher

American Chemical Society (ACS)

Journal

Journal of Physical Chemistry C

Quartile SCImago

Quartile WOS

Impact factor

3.7

ISSN

19327447 (Print)
19327455 (Electronic)