Synthesis and formation process of Al2CuHx: A new class of interstitial aluminum-based alloy hydride | Zendy

Hiroyuki Saitoh | Zendy; Shigeyuki Takagi | Zendy; Naruki Endo | Zendy; Akihiko Machida | Zendy; Katsutoshi Aoki | Zendy; Shinichi Orimo | Zendy; Yoshinori Katayama | Zendy

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Synthesis and formation process of Al2CuHx: A new class of interstitial aluminum-based alloy hydride

Author(s) -

Hiroyuki Saitoh,

Shigeyuki Takagi,

Naruki Endo,

Akihiko Machida,

Katsutoshi Aoki,

Shinichi Orimo,

Yoshinori Katayama

Publication year - 2013

Publication title -

apl materials

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 1.571

H-Index - 60

ISSN - 2166-532X

DOI - 10.1063/1.4821632

Subject(s) - alloy , materials science , tetragonal crystal system , hydride , hydrogen , aluminium , hydrogen storage , crystal structure , crystallography , metallurgy , chemistry , metal , organic chemistry

Aluminum-based alloy hydride Al2CuHx (x ∼ 1) is synthesized by hydrogenating Al2Cu alloy using high-temperature and high-pressure hydrogen atmosphere. Al8Cu square antiprisms in Al2Cu 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 Al2CuHx. Thermodynamic stability of Al2CuHx 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 Al2CuHx illustrate the formation of an interstitial hydride of aluminum-based alloy

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