Different Aluminum: alkaline earth metal atomic weight ratios effects on structure transformations in alanates nanopowders were studied. Changes in crystal structures from alane to alanates by increasing alkaline earth metals dopants in the mixture with slight changes in crystal structures from rhombohedral centered – trigonal (alane) to trigonal (magnesium alanate), and monoclinic (calcium ala...

Different Aluminum: alkaline earth metal atomic weight ratios effects on structure transformations in alanates nanopowders were studied. Changes in crystal structures from alane to alanates by increasing alkaline earth metals dopants in the mixture with slight changes in crystal structures from rhombohedral centered – trigonal (alane) to trigonal (magnesium alanate), and monoclinic (calcium ala...

Direct synthesis and NMR characterization of calcium alanate Houria Kabbour a,∗, Channing C. Ahn a, Son-Jong Hwang b, Robert C. Bowman Jr. c, Jason Graetz d a Division of Engineering and Applied Science, California Institute of Technology, Pasadena, 91125 CA, USA b Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, 91125 CA, USA c Jet Propulsion Labora...

We have performed first-principles calculations of thick slabs of Ti-doped sodium alanate sNaAlH4d, which allows one to study the system energetics as the dopant progresses from the surface to the bulk. Our calculations predict that Ti stays on the surface, substitutes for Na, and attracts a large number of H atoms to its vicinity. Molecular dynamics simulations suggest that the most likely pro...

NaAlH4 and LiAlH4 are promising materials for hydrogen storage due to their high density (7.4 10.5 mass%, respectively). However, practical application is hampered from the slow kinetics poor reversibility. To improve properties of alanates, alternative core–shell strategy has been proposed. In this respect, a simple solvent evaporation method presented synthesize alanate core. approach, stabil...

Clarification of the mechanisms of hydrogen release and uptake in transition-metal-doped sodium alanate, NaAlH(4), a prototypical high-density complex hydride, has fundamental importance for the development of improved hydrogen-storage materials. In this and most other modern hydrogen-storage materials, H(2) release and uptake are accompanied by long-range diffusion of metal species. Using firs...