Molecular Aluminum Hydrides Identified by Inelastic Neutron Scattering during H2 Regeneration of Catalyst-Doped NaAlH4
- 21 December 2005
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 110 (2), 711-715
- https://doi.org/10.1021/jp055238u
Abstract
Catalyst-doped sodium aluminum hydrides have been intensively studied as solid hydrogen carriers for onboard proton-exchange membrane (PEM) fuel cells. Although the importance of catalyst choice in enhancing kinetics for both hydrogen uptake and release of this hydride material has long been recognized, the nature of the active species and the mechanism of catalytic action are unclear. We have shown by inelastic neutron scattering (INS) spectroscopy that a volatile molecular aluminum hydride is formed during the early stage of H2 regeneration of a depleted, catalyst-doped sodium aluminum hydride. Computational modeling of the INS spectra suggested the formation of AlH3 and oligomers (AlH3)n (Al2H6, Al3H9, and Al4H12 clusters), which are pertinent to the mechanism of hydrogen storage. This paper demonstrates, for the first time, the existence of these volatile species.Keywords
This publication has 6 references indexed in Scilit:
- Hydrogen dynamics in heavy alkali metal hydrides obtained through inelastic neutron scatteringJournal of Physics: Condensed Matter, 2004
- Inelastic Neutron Scattering and Raman Spectroscopies and Periodic DFT Studies of Rb2PtH6 and Rb2PtD6Journal of the American Chemical Society, 2003
- The Infrared Spectrum of Al 2 H 6 in Solid HydrogenScience, 2003
- First-principles computation of material properties: the ABINIT software projectComputational Materials Science, 2002
- In-situ X-ray diffraction study of the decomposition of NaAlH4Journal of Alloys and Compounds, 2000
- Physicochemical Properties and Structure of Complex Compounds of Aluminium HydrideRussian Chemical Reviews, 1968