A theoretical explanation of RbBH4’s fractionally occupied ground-state phase and the reorientational motion of the [BH4]− group
Author:
Publisher
IOP Publishing
Subject
Surfaces, Coatings and Films,Acoustics and Ultrasonics,Condensed Matter Physics,Electronic, Optical and Magnetic Materials
Link
http://iopscience.iop.org/article/10.1088/1361-6463/aa86f7/pdf
Reference34 articles.
1. Hydrogen-storage materials for mobile applications
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4. Lithium boro-hydride LiBH4
5. Lithium boro-hydride LiBH4
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2. Origin of the structural diversity of the alkaline metal borohydride MBH4 (M = Li, Na, K, Rb and Cs): Insights from first-principles calculations;International Journal of Hydrogen Energy;2020-03
3. First-principles study of the reorientational motion of the [BH4]- groups in CsBH4's fractionally occupied ground-state phase and the thermal properties;Physica B: Condensed Matter;2019-07
4. A first-principles simulation of the metal borohydride ammonia borane complex (LiBH4)2(NH3BH3) and the decomposition reaction pathway for hydrogen storage;International Journal of Hydrogen Energy;2019-07
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