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Sorption properties and reversibility of Ti(IV) and Nb(V)-fluoride doped-Ca(BH4)2 —MgH2 system

Bonatto Minella, Christian and Garroni, Sebastiano and Pistidda, Claudio and Barò, Maria Dolors and Gutfleisch, Oliver and Klassen, Thomas and Dornheim, Martin (2015) Sorption properties and reversibility of Ti(IV) and Nb(V)-fluoride doped-Ca(BH4)2 —MgH2 system. Journal of Alloys and Compounds, Vol. 622 , p. 989-994. ISSN 0925-8388. Article.

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DOI: 10.1016/j.jallcom.2014.11.038

Abstract

In the last decade, alkaline and alkaline earth metal tetrahydroborates have been the focuses of the research due to their high gravimetric and volumetric hydrogen densities. Among them, Ca(BH4)2 and the Ca(BH4)2 + MgH2 reactive hydride composites (RHC), were calculated to have the ideal thermodynamic properties which fall within the optimal range for mobile applications.
In this study, the addition of NbF5 or TiF4 to the Ca(BH4)2 + MgH2 reactive hydride composite system was attempted aiming to obtain a full reversible system with the simultaneous suppression of CaB12H12.
Structural characterization of the specimens was performed by means of in-situ Synchrotron Radiation Powder X-ray diffraction (SR-PXD) and 11B{1H} Solid State Magic Angle Spinning-Nuclear Magnetic Resonance (MAS-NMR). The evolution of the chemical state of the Nb- and Ti-based additives was monitored by X-ray Absorption Near Edge Structure (XANES).
The addition of NbF5 or TiF4 to the Ca(BH4)2 + MgH2 system have not suppressed completely the formation of CaB12H12 and only a slight improvement concerning the reversible reaction was displayed just in the case of Nb-doped composite material.

Item Type:Article
ID Code:10924
Status:Published
Refereed:Yes
Uncontrolled Keywords:Hydrogen storage, transition metal fluorides, tetrahydroborate, In-situ Synchrotron Radiation Powder X-ray diffraction (SR-PXD), X-ray Absorption Near Edge Structure (XANES), 11B{1H} Solid State Magic Angle Spinning-Nuclear Magnetic Resonance (MAS-NMR)
Subjects:Area 03 - Scienze chimiche > CHIM/02 Chimica fisica
Divisions:001 Università di Sassari > 01-a Nuovi Dipartimenti dal 2012 > Chimica e Farmacia
Publisher:Elsevier Science
ISSN:0925-8388
Deposited On:25 May 2015 10:34

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