Synthesis and formation process of Al2CuHx: A new class of interstitial aluminum-based alloy hydride
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 a...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2013-09-01
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| Series: | APL Materials |
| Online Access: | http://link.aip.org/link/doi/10.1063/1.4821632 |
| Summary: | 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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| ISSN: | 2166-532X |