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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 Baró, 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.
622, In: Journal of Alloys and Compounds, Elsevier Science Publishing, pp. 989-994, ISSN 09258388, [Online-Edition: http://dx.doi.org/10.1016/j.jallcom.2014.11.038],
[Article]

Abstract

n 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 B-11{H-1} 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
Erschienen: 2015
Creators: Bonatto Minella, Christian and Garroni, Sebastiano and Pistidda, Claudio and Baró, Maria Dolors and Gutfleisch, Oliver and Klassen, Thomas and Dornheim, Martin
Title: Sorption properties and reversibility of Ti(IV) and Nb(V)-fluoride doped-Ca(BH4)2–MgH2 system
Language: English
Abstract:

n 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 B-11{H-1} 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.

Journal or Publication Title: Journal of Alloys and Compounds
Volume: 622
Publisher: Elsevier Science Publishing
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)
Divisions: 11 Department of Materials and Earth Sciences > Material Science > Functional Materials
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences
Date Deposited: 10 Feb 2015 09:15
Official URL: http://dx.doi.org/10.1016/j.jallcom.2014.11.038
Identification Number: doi:10.1016/j.jallcom.2014.11.038
Funders: The authors are grateful to the Marie-Curie European Research Training Network (Contract MRTN-CT-2006-03 5366/COSY) and to the German Bundesministerium fur Bildung und Forschung (Forderkennzeichen 03BV108C) for the financial support., C.B.M and O.G. thank the European Union (ERDF) and the Free State of Saxony (SAB Grant-Nr. 100112628)., M.D.B. thanks partial financial support from an ICREA-Academia award.
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