LiBH4•NH3BH3: A New Lithium Borohydride Ammonia Borane Compound with a Novel Structure and Favorable Hydrogen Storage Properties

Published

July 1, 2012

Author(s)

Junhong Luo, Hui Wu, Wei Zhou, Xiangdong Kang, Zhanzhao Fang, Ping Wang

Abstract

Mechanically milling ammonia borane and lithium borohydride and lithium borohydride in equivalanet molar ration results in the formation of a new complex, LiBH₄&#8226NH₃BH_{3. Its structure was successfully determined using combined X-ray diffraction and first-principle calculations. LiBh}d4^&#8226NH₃BH₃ was carefully studied in terms of its decomposition behavior and reversible dehydrogenation property, particularly in comparsion with the componet phases. In parallel to the property examination, X-ray diffraction and Fourier transformation infrared spectroscopy techniques were employed to monitor the phase evolution and bonding structure changes in the reaction process. Our study found that LiBH₄&#8226NH₃BH₃ first disproportionates into (LiBH₄)₂&#8226NH₃BH₃, and the resulted mixture exhibits a three-step decomposition behavior upon heating to 450°C, totally yielding approximately}15.7 wt% hydrogen. In comparison with the LiBH6d4^ component phase, LiBH₄&#8226NH₃BH₃ exhibits significantly improved reversible dehydrogenation properties.

Citation

International Journal of Hydrogen Energy

Volume

37

Pub Type

Journals

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Keywords

hydrogen storage, dehydrogenation, crystal structure, ammonia borane, borohydride

Citation

Luo, J. , Wu, H. , Zhou, W. , Kang, X. , Fang, Z. and Wang, P. (2012), LiBH₄&#8226NH₃BH₃: A New Lithium Borohydride Ammonia Borane Compound with a Novel Structure and Favorable Hydrogen Storage Properties, International Journal of Hydrogen Energy, [online], https://tsapps.nist.gov/publication/get_pdf.cfm?pub_id=909865 (Accessed October 20, 2025)