We have measured inelastic neutron scattering (INS) spectra from Ti-doped polycrystalline alanates (NaAlH4 and Na3AlH6), at low temperature, in the energy transfer range 3-500 meV, both for thermally treated and untreated samples. From the spectral range corresponding to the fundamental vibrational bands of these aluminohydrides, accurate one-phonon spectra and hydrogen-projected densities of phonon states have been extracted and analyzed using ab initio lattice dynamics calculations. Satisfactory agreement has been found for the untreated samples. In the case of thermally treated samples, due to thermal decomposition, different ionic species are present and the sample composition could be quantitatively evaluated. No evidence for the existence of intermediate species such as AlH3 or AlH52- has been found.

On the effect of thermal treatment and hydrogen vibrational dynamics in sodium alanates : an inelastic neutron scattering study / A. Albinati, D. Colognesi, P.A. Georgiev, C.M. Jensen, A.J. Ramirez-Cuesta. - In: JOURNAL OF ALLOYS AND COMPOUNDS. - ISSN 0925-8388. - 523(2012 May 15), pp. 108-113.

On the effect of thermal treatment and hydrogen vibrational dynamics in sodium alanates : an inelastic neutron scattering study

A. Albinati;P.A. Georgiev;
2012

Abstract

We have measured inelastic neutron scattering (INS) spectra from Ti-doped polycrystalline alanates (NaAlH4 and Na3AlH6), at low temperature, in the energy transfer range 3-500 meV, both for thermally treated and untreated samples. From the spectral range corresponding to the fundamental vibrational bands of these aluminohydrides, accurate one-phonon spectra and hydrogen-projected densities of phonon states have been extracted and analyzed using ab initio lattice dynamics calculations. Satisfactory agreement has been found for the untreated samples. In the case of thermally treated samples, due to thermal decomposition, different ionic species are present and the sample composition could be quantitatively evaluated. No evidence for the existence of intermediate species such as AlH3 or AlH52- has been found.
Inelastic neutron scattering; Hydrogen dynamics; alanates; Hydrogen storage
Settore CHIM/03 - Chimica Generale e Inorganica
Article (author)
File in questo prodotto:
Non ci sono file associati a questo prodotto.
Pubblicazioni consigliate

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/252948
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 5
  • ???jsp.display-item.citation.isi??? 6
social impact