Synthesis and formation process of Al $_{2}$ CuH $_{x}$ ; A New class of interstitial aluminum-based alloy hydride

Saito, Hiroyuki; Takagi, Shigeyuki*; Endo, Naruki; Machida, Akihiko; Aoki, Katsutoshi; Orimo, Shinichi*; Katayama, Yoshinori

Aluminum-based alloy hydride Al $_{2}$ CuH $_{x}$ (x1) is synthesized by hydrogenating Al $_{2}$ Cu alloy using high-temperature and high-pressure hydrogen atmosphere. Al $_{8}$ Cu square antiprisms in Al $_{2}$ Cu twist around the c axis of a tetragonal unit cell by hydrogenation. The twist enlarges the interstitial spaces for accommodating hydrogen atoms which align linearly parallel to the c axis in Al $_{2}$ CuH $_{x}$ . Thermodynamic stability of Al $_{2}$ CuH $_{x}$ results from the balance of stabilization by H 1s and Al 3sp hybridization and destabilization owing to the Fermi-level lifting upon hydrogenation. The crystal and electronic structures of Al $_{2}$ CuH $_{x}$ illustrate the formation of an interstitial hydride of aluminum-based alloy.

Language	:	English
Journal	:	APL Materials (Internet)
Volume	:	1
Number	:	3
Pages	:	p.032113_1 - 032113_7
Publication Year/Month	:	2013/09
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Paper URL	:	https://doi.org/10.1063/1.4821632
DOI for research data	:	Link to research data related to this paper/report.
Keywords	:	no keyword
Research Facility	:	SPring-8(大型放射光施設)
Press Release	:	アルミニウムを主原料とする新しい水素貯蔵合金の合成に成功; 軽量かつ繰り返し水素吸放出可能な水素貯蔵合金の実現へのブレークスル
Article of JAEA R&D Review	:	Development of an Aluminum-Based Hydrogen Storage Alloy; To Realize Light-Weight Hydrogen Storage Alloys[/]
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Registration No. : AA20130324
JAEA Abstracts No. : 41001221
Paper Submission No. : 13205

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Synthesis and formation process of AlCuH; A New class of interstitial aluminum-based alloy hydride

Synthesis and formation process of Al $_{2}$ CuH $_{x}$ ; A New class of interstitial aluminum-based alloy hydride