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Title: High pressure synthesis and stability of cobalt hydrides

Abstract

In situ high-pressure high-temperature X-ray powder diffraction studies of the cobalt-hydrogen system reveal the direct synthesis of both the binary cobalt hydride (CoH) and a novel cobalt dihydride (CoH 2). We observe the formation of $fcc$ CoH at pressures of 4 GPa, which persists to pressures of 45 GPa. At this pressure, we see the emergence with time of a further expanded $fcc$ lattice, which we identify as CoH 2, where the hydrogen atoms occupy the tetrahedral vacancies. We have explored alternative synthesis routes of CoH 2 and can lower the synthesis pressure to 35 GPa by the application of high temperature. CoH 2 is stable to at least 55 GPa and decomposes into CoH below 10 GPa, releasing molecular hydrogen before further decomposing completely into its constituent elements below 3 GPa. As a first-row transition metal, cobalt has a relatively lower mass than other hydride-forming transition metals, and as a result, CoH 2 has a high hydrogen content of 3.3 wt. % and a volumetric hydrogen density of 214 g/l.

Authors:
 [1]; ORCiD logo [1];  [1];  [2];  [1];  [1]
  1. Center for High Pressure Science and Technology Advanced Research, Shanghai (China)
  2. Univ. of Edinburgh, Scotland (United Kingdom). School of Physics and Astronomy and Centre for Science at Extreme Conditions
Publication Date:
Research Org.:
Univ. of Chicago, IL (United States)
Sponsoring Org.:
USDOE; National Science Foundation (NSF)
OSTI Identifier:
1512949
Grant/Contract Number:  
FG02-94ER14466; AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Volume: 148; Journal Issue: 14; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics (AIP)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY

Citation Formats

Wang, Mengnan, Binns, Jack, Donnelly, Mary-Ellen, Peña-Alvarez, Miriam, Dalladay-Simpson, Philip, and Howie, Ross T. High pressure synthesis and stability of cobalt hydrides. United States: N. p., 2018. Web. doi:10.1063/1.5026535.
Wang, Mengnan, Binns, Jack, Donnelly, Mary-Ellen, Peña-Alvarez, Miriam, Dalladay-Simpson, Philip, & Howie, Ross T. High pressure synthesis and stability of cobalt hydrides. United States. doi:10.1063/1.5026535.
Wang, Mengnan, Binns, Jack, Donnelly, Mary-Ellen, Peña-Alvarez, Miriam, Dalladay-Simpson, Philip, and Howie, Ross T. Sat . "High pressure synthesis and stability of cobalt hydrides". United States. doi:10.1063/1.5026535. https://www.osti.gov/servlets/purl/1512949.
@article{osti_1512949,
title = {High pressure synthesis and stability of cobalt hydrides},
author = {Wang, Mengnan and Binns, Jack and Donnelly, Mary-Ellen and Peña-Alvarez, Miriam and Dalladay-Simpson, Philip and Howie, Ross T.},
abstractNote = {In situ high-pressure high-temperature X-ray powder diffraction studies of the cobalt-hydrogen system reveal the direct synthesis of both the binary cobalt hydride (CoH) and a novel cobalt dihydride (CoH2). We observe the formation of $fcc$ CoH at pressures of 4 GPa, which persists to pressures of 45 GPa. At this pressure, we see the emergence with time of a further expanded $fcc$ lattice, which we identify as CoH2, where the hydrogen atoms occupy the tetrahedral vacancies. We have explored alternative synthesis routes of CoH2 and can lower the synthesis pressure to 35 GPa by the application of high temperature. CoH2 is stable to at least 55 GPa and decomposes into CoH below 10 GPa, releasing molecular hydrogen before further decomposing completely into its constituent elements below 3 GPa. As a first-row transition metal, cobalt has a relatively lower mass than other hydride-forming transition metals, and as a result, CoH2 has a high hydrogen content of 3.3 wt. % and a volumetric hydrogen density of 214 g/l.},
doi = {10.1063/1.5026535},
journal = {Journal of Chemical Physics},
number = 14,
volume = 148,
place = {United States},
year = {2018},
month = {4}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Figures / Tables:

FIG. 1 FIG. 1: High-pressure X-ray diffraction patterns (λ = 0.3344 Å) showing the stepwise synthesis of CoH (dark blue) from Co (black) with increasing pressure followed by the formation of CoH2 (light blue) from CoH after 24 h at pressures greater than 45 GPa. Tick marks indicate the positions of Braggmore » reflections from the noted phases.« less

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