Journal article
Experimental and computational studies on structural transitions in the LiBH4-LiI pseudobinary system
Tohoku University1
Nano-Microstructures in Materials, Materials Research Division, Risø National Laboratory for Sustainable Energy, Technical University of Denmark2
Materials Research Division, Risø National Laboratory for Sustainable Energy, Technical University of Denmark3
Risø National Laboratory for Sustainable Energy, Technical University of Denmark4
Computational Atomic-scale Materials Design, Department of Physics, Technical University of Denmark5
Department of Physics, Technical University of Denmark6
Structural transition properties of the LiBH4+xLiI (x=0–1.00) pseudobinary system were examined by powder x-ray diffraction and differential scanning calorimetry combined with periodic density functional theory calculations. We experimentally and computationally confirmed the stabilization of the high-temperature [hexagonal, lithium super(fast-)ionic conduction] phase of LiBH4 with x=0.33 and 1.00, and the results also imply the existence of intermediate phases with x=0.07–0.20.
The studies are of importance for further development of LiBH4 and the derived hydrides as solid-state electrolytes. ©2009 American Institute of Physics
| Language: | English |
|---|---|
| Publisher: | American Institute of Physics |
| Year: | 2009 |
| ISSN: | 10773118 and 00036951 |
| Types: | Journal article |
| DOI: | 10.1063/1.3117227 |
| ORCIDs: | Vegge, Tejs and Nørskov, Jens Kehlet |
