Probing the structure, stability and hydrogen storage properties of calcium dodecahydro-closo-dodecaborate

Polymorphism and hydrogen discharge from holmium borohydride, Ho(BH4)3, and KHo(BH4)4

“…Several of the absorption bands, at ca. 702, 1020, and 2447 cm e1 match well with the wavelengths of vibrations of [B 12 H 12 ] 2e anion [41,42] [29,30,48]. Thermal decomposition of LiBH 4 doped by b-Ho(BH 4 ) 3 (sample Ho1:12 of a nominal composition: 9LiBH 4 /1b-Ho(BH 4 ) 3 /3LiCl) differs considerably from the thermal decomposition of pure LiBH 4 or a-Ho(BH 4 ) 3 containing LiCl, Fig.…”

Alkali and alkaline-earth metal dodecahydro-closo-dodecaborates: Probing structural variations via neutron vibrational spectroscopy

“…They have been detected as an amorphous component of dehydrogenation products using NMR spectroscopy [1] and their presence was confirmed in subsequent studies [6][7][8]. Any B 12 H 12 2− anions produced during dehydrogenation are likely resistant to rehydrogenation: e.g., under aggressive rehydrogenation conditions (100 MPa H 2 , 670 • C) a ball-milled mixture of (CaB 12 H 12 + 5CaH 2 ) was not observed to convert to Ca(BH 4 ) 2 [9]. It is a concern that the creation of the stable dodecahydro-closo-dodecaborate intermediate under commonly used dehydrogenation conditions is partly responsible for the poor hydrogen cycling performance of the borohydrides [3,6,7,10].…”

Solid State NMR Characterization of Complex Metal Hydrides systems for Hydrogen Storage Applications

“…Although the formation of dodecaborane was previously predicted theoretically [9] and experimentally detected by Raman [10] for the LiBH 4 case, the NMR confirmation over several borohydrides truly triggered intensive attention in the community and subsequent publications [11][12][13][14].…”