LiBH4·NH3BH3: A new lithium borohydride ammonia borane compound with a novel structure and favorable hydrogen storage properties

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

doi:10.1016/j.ijhydene.2012.04.049

Cited by 37 publications

(31 citation statements)

References 48 publications

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“…This phenomenon was also observed in other metal amidoboranes. 17,20,21,23,24 From this result, the formation of metal amidoborane phase was also suggested. …”

Section: Structure and Phase Analyses Of Ball-milled Compositesmentioning

confidence: 78%

Ammonia borane–metal alanate composites: hydrogen desorption properties and decomposition processes

et al. 2014

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aHydrogen desorption properties and decomposition processes of NH 3 BH 3 -MAlH 4 (M = Na, Li) composites were investigated by using thermogravimetry-differential thermal analysis (TG-DTA-MS), powder X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FTIR) analyses. We prepared the composites by ball-milling and the mixtures by hand-milling. The ball-milled composites desorbed 4-5 wt% hydrogen at three exothermic steps below 260 °C. The emissions of by-product gases, NH 3 , B 2 H 6 and B 3 H 6 N 3 , were effectively suppressed. From XRD and FTIR analyses, the formation of mixed-metal (Na(Li), Al) amidoborane phase was suggested. Very different results were obtained using hand-milling. They showed only one exothermic reaction at 80-90 °C. The emission of by-product gases was not suppressed. By comparing the differences between ball-milled composites and hand-milled mixtures, the importance of mixed-metal amidoborane in this system was proposed.

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“…This phenomenon was also observed in other metal amidoboranes. 17,20,21,23,24 From this result, the formation of metal amidoborane phase was also suggested. …”

Section: Structure and Phase Analyses Of Ball-milled Compositesmentioning

confidence: 78%

Ammonia borane–metal alanate composites: hydrogen desorption properties and decomposition processes

et al. 2014

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“…Therefore, alkali and alkali-earth metal borohydrides (M = Li + ,M g 2 + ,a nd Ca 2 + ) merely form adducts with AB [Eq. (5)]: [38][39][40][41][42]…”

Section: Discussionmentioning

confidence: 99%

A Composite of Complex and Chemical Hydrides Yields the First Al‐Based Amidoborane with Improved Hydrogen Storage Properties

Dovgaliuk

Jepsen

Safin

et al. 2015

Chemistry A European J

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The first Al-based amidoborane Na[Al(NH2 BH3 )4 ] was obtained through a mechanochemical treatment of the NaAlH4 -4 AB (AB=NH3 BH3 ) composite releasing 4.5 wt % of pure hydrogen. The same amidoborane was also produced upon heating the composite at 70 °C. The crystal structure of Na[Al(NH2 BH3 )4 ], elucidated from synchrotron X-ray powder diffraction and confirmed by DFT calculations, contains the previously unknown tetrahedral ion [Al(NH2 BH3 )4 ](-) , with every NH2 BH3 (-) ligand coordinated to aluminum through nitrogen atoms. Combination of complex and chemical hydrides in the same compound was possible due to both the lower stability of the AlH bonds compared to the BH ones in borohydride, and due to the strong Lewis acidity of Al(3+) . According to the thermogravimetric analysis-differential scanning calorimetry-mass spectrometry (TGA-DSC-MS) studies, Na[Al(NH2 BH3 )4 ] releases in two steps 9 wt % of pure hydrogen. As a result of this decomposition, which was also supported by volumetric studies, the formation of NaBH4 and amorphous product(s) of the surmised composition AlN4 B3 H(0-3.6) were observed. Furthermore, volumetric experiments have also shown that the final residue can reversibly absorb about 27 % of the released hydrogen at 250 °C and p(H2 )=150 bar. Hydrogen re-absorption does not regenerate neither Na[Al(NH2 BH3 )4 ] nor starting materials, NaAlH4 and AB, but rather occurs within amorphous product(s). Detailed studies of the latter one(s) can open an avenue for a new family of reversible hydrogen storage materials. Finally, the NaAlH4 -4 AB composite might become a starting point towards a new series of aluminum-based tetraamidoboranes with improved hydrogen storage properties such as hydrogen storage density, hydrogen purity, and reversibility.

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“…Therefore various hybrid type materials have also been proposed and extensively studied-as examples one can present LiBH 4 /NH 3 BH 3 [27], M[Zn(BH 4 ) 3 ], M = Li, Na, K [28] or Al(BH 4 ) 3¨N H 3 BH 3 [25].…”

Section: Introductionmentioning

confidence: 99%

Non-Covalent Interactions in Hydrogen Storage Materials LiN(CH3)2BH3 and KN(CH3)2BH3

2016

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Abstract:In the present work, an in-depth, qualitative and quantitative description of non-covalent interactions in the hydrogen storage materials LiN(CH 3 ) 2 BH 3 and KN(CH 3 ) 2 BH 3 was performed by means of the charge and energy decomposition method (ETS-NOCV) as well as the Interacting Quantum Atoms (IQA) approach. It was determined that both crystals are stabilized by electrostatically dominated intra-and intermolecular M¨¨¨H-B interactions (M = Li, K). For LiN(CH 3 ) 2 BH 3 the intramolecular charge transfer appeared (B-HÑLi) to be more pronounced compared with the corresponding intermolecular contribution. We clarified for the first time, based on the ETS-NOCV and IQA methods, that homopolar BH¨¨¨HB interactions in LiN(CH 3 ) 2 BH 3 can be considered as destabilizing (due to the dominance of repulsion caused by negatively charged borane units), despite the fact that some charge delocalization within BH¨¨¨HB contacts is enforced (which explains H¨¨¨H bond critical points found from the QTAIM method). Interestingly, quite similar (to BH¨¨¨HB) intermolecular homopolar dihydrogen bonds CH¨¨¨HC appared to significantly stabilize both crystals-the ETS-NOCV scheme allowed us to conclude that CH¨¨¨HC interactions are dispersion dominated, however, the electrostatic and σ/σ*(C-H) charge transfer contributions are also important. These interactions appeared to be more pronounced in KN(CH 3 ) 2 BH 3 compared with LiN(CH 3 ) 2 BH 3 .

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LiBH4·NH3BH3: A new lithium borohydride ammonia borane compound with a novel structure and favorable hydrogen storage properties

Cited by 37 publications

References 48 publications

Ammonia borane–metal alanate composites: hydrogen desorption properties and decomposition processes

Ammonia borane–metal alanate composites: hydrogen desorption properties and decomposition processes

A Composite of Complex and Chemical Hydrides Yields the First Al‐Based Amidoborane with Improved Hydrogen Storage Properties

Non-Covalent Interactions in Hydrogen Storage Materials LiN(CH3)2BH3 and KN(CH3)2BH3

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