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



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


Mechanically milling ammonia borane and lithium borohydride and lithium borohydride in equivalanet molar ration results in the formation of a new complex, LiBH4&#8226NH3BH3. Its structure was successfully determined using combined X-ray diffraction and first-principle calculations. LiBhd4^&#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.
International Journal of Hydrogen Energy


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


Luo, J. , Wu, H. , Zhou, W. , Kang, X. , Fang, Z. and Wang, P. (2012), LiBH<sub>4</sub>&#8226NH<sub>3</sub>BH<sub>3</sub>: A New Lithium Borohydride Ammonia Borane Compound with a Novel Structure and Favorable Hydrogen Storage Properties, International Journal of Hydrogen Energy, [online], (Accessed April 19, 2024)
Created June 30, 2012, Updated October 12, 2021