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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 f...unctional 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.続きを見る
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Mendeley出力
