@article{27729a36af564e3db2dcfcb557bf4c43,
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.",
author = "H. Oguchi and M. Matsuo and Hummelsh{\o}j, {J. S.} and T. Vegge and N{\o}rskov, {J. K.} and T. Sato and Y. Miura and H. Takamura and H. Maekawa and S. Orimo",
note = "Funding Information: We are grateful to Professor Hiroki Kuwano for valuable discussion. This work was partially supported by KAKENHI the Creative Scientific Research Program (Grant No. 18GS0203: Study of nanoenergy system creation), the Global-COE Program “Materials Integration (Tohoku University),” the Integrated Project of ICC-IMR, European Commission DG Research (Grant No. SES6-2006-51827/NESSHy), and Danish Center for Scientific Computing (DCSC) the Lundbeck Foundation.",
year = "2009",
doi = "10.1063/1.3117227",
language = "English",
volume = "94",
journal = "Applied Physics Letters",
issn = "0003-6951",
publisher = "American Institute of Physics",
number = "14",
}