Experimental and computational studies on structural transitions in the LiBH4-LiI pseudobinary system

H. Oguchi, M. Matsuo, Jens Strabo Hummelshøj, Tejs Vegge, Jens Kehlet Nørskov, T. Sato, Y. Miura, H. Takamura, H. Maekawa, S. Orimo

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Abstract

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
Original languageEnglish
JournalApplied Physics Letters
Volume94
Issue number14
Pages (from-to)141912
ISSN0003-6951
DOIs
Publication statusPublished - 2009

Bibliographical note

Copyright (2009) American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.

Keywords

  • Materials research
  • Materials and systems for energy storage

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