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.
ASJC Scopus subject areas
- Physics and Astronomy (miscellaneous)