High-Pressure Raman and X-ray Diffraction Study of β- and γ-Polymorphs of Aluminum Hydride

被引：16

作者：

Drozd, Vadym ^{[1
]}

Garimella, Subrahmanyan ^{[1
]}

Saxena, Surendra ^{[1
]}

Chen, Jiuhua ^{[1
]}

Palasyuk, Taras ^{[2
,3
]}

机构：

[1] Florida Int Univ, Ctr Study Matter Extreme Condit, Miami, FL 33199 USA

[2] Polish Acad Sci, Inst Phys Chem, PL-01224 Warsaw, Poland

[3] Max Planck Inst Chem, D-55128 Mainz, Germany

来源：

JOURNAL OF PHYSICAL CHEMISTRY C | 2012年 / 116卷 / 05期

基金：

美国国家科学基金会;

关键词：

CRYSTAL-STRUCTURE; SUPERCONDUCTIVITY; HYDROGEN; PHASES; ALH3; THERMODYNAMICS; KINETICS; STORAGE; ALPHA;

D O I：

10.1021/jp204925w

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Three polymorphs of alane, AlH3, (alpha, beta, and gamma) were synthesized and studied at high-pressure in diamond anvil cell by Raman spectroscopy and synchrotron X-ray diffraction. According to synchrotron X-ray diffraction study, beta-AlH3 is stable up to 6 GPa, followed by transformation into alpha phase at higher pressures. X-ray-induced decomposition gamma-AlH3 into constituent elements was found at 15 GPa. Raman scattering study at high pressure for both beta- and gamma-AlH3 reveals transition into the alpha phase with high concentration of structural defects. DFT calculations (VASP code) show that instability of cubic beta-alane crystal structure at high pressure is caused by the strong deformation of the [AlH6] polyhedra.

引用

页码：3808 / 3816

页数：9

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