Theoretical and Experimental Study of LiBH4-LiCl Solid Solution

Theoretical and Experimental Study of LiBH4-LiCl Solid Solution

Anion substitution is at present one of the pathways to destabilize metal borohydrides for solid state hydrogen storage. In this work, a solid solution of LiBH4 and LiCl is studied by density functional theory (DFT) calculations, thermodynamic modeling, X-ray diffraction, and infrared spectroscopy....

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Bibliographic Details
Main Authors: Torben R. Jensen, Piero Ugliengo, Line H. Rude, Eugenio Pinatel, Marta Corno, Olena Zavorotynska, Marcello Baricco
Format: Article
Language:English
Published: MDPI AG 2012-03-01
Series:Crystals
Subjects:
lithium borohydride
anion substitution
CRYSTAL code
infrared spectroscopy
CALPHAD
Online Access:http://www.mdpi.com/2073-4352/2/1/144

Internet

http://www.mdpi.com/2073-4352/2/1/144

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