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

doi:10.1063/1.3117227

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

Tohoku University

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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 language	English
Journal	Applied Physics Letters
Volume	94
Issue number	14
Pages (from-to)	141912
ISSN	0003-6951
DOIs	https://doi.org/10.1063/1.3117227
Publication status	Published - 2009

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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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10.1063/1.3117227

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http://link.aip.org/link/?APPLAB/94/141912/1

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title = "Experimental and computational studies on structural transitions in the LiBH4-LiI pseudobinary system",

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. {\textcopyright}2009 American Institute of Physics",

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author = "H. Oguchi and M. Matsuo and Hummelsh{\o}j, {Jens Strabo} and Tejs Vegge and N{\o}rskov, {Jens Kehlet} and T. Sato and Y. Miura and H. Takamura and H. Maekawa and S. Orimo",

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.",

year = "2009",

doi = "10.1063/1.3117227",

language = "English",

volume = "94",

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T1 - Experimental and computational studies on structural transitions in the LiBH4-LiI pseudobinary system

AU - Oguchi, H.

AU - Matsuo, M.

AU - Hummelshøj, Jens Strabo

AU - Vegge, Tejs

AU - Nørskov, Jens Kehlet

AU - Sato, T.

AU - Miura, Y.

AU - Takamura, H.

AU - Maekawa, H.

AU - Orimo, S.

N1 - 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.

PY - 2009

Y1 - 2009

N2 - 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

AB - 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

KW - Materials research

KW - Materials and systems for energy storage

KW - Materialer og systemer til energilagring

KW - Materialeforskning

U2 - 10.1063/1.3117227

DO - 10.1063/1.3117227

M3 - Journal article

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VL - 94

SP - 141912

JO - Applied Physics Letters

JF - Applied Physics Letters

IS - 14

ER -

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

Abstract

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