Effect of pressure and temperature on structural stability of potential hydrogen storage compound Li[subscript 3]AlH[subscript 6]
Journal Article
·
· Chem. Phys. Lett.
- UNLV
The crystal structure of Li{sub 3}AlH{sub 6} was investigated at high pressures upto 27 GPa using a diamond anvil cell with synchrotron radiation in addition to high temperature X-ray diffraction. Density functional theoretical (DFT) calculations were performed simultaneously. While the structure of Li{sub 3}AlH{sub 6} is stable on increasing temperature, the results of high pressure experiments show a pressure induced phase transition from the ambient R {bar 3} phase to a high pressure cubic Ia{bar 3} phase around 10.6 GPa. The transition pressure of 10.6 GPa and the bulk modulus value B{sub 0} = 32(2) GPa for the R{bar 3} phase obtained are in good agreement with the theoretical results.
- Research Organization:
- Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
- Sponsoring Organization:
- USDOE
- OSTI ID:
- 1006722
- Journal Information:
- Chem. Phys. Lett., Vol. 460, Issue (4-6) ; 07, 2008; ISSN 0009-2614
- Country of Publication:
- United States
- Language:
- ENGLISH
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