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Issue 31, 2012
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Body centered cubic magnesium niobium hydride with facile room temperature absorption and four weight percent reversible capacity

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Abstract

We have synthesized a new metastable metal hydride with promising hydrogen storage properties. Body centered cubic (bcc) magnesium niobium hydride (Mg0.75Nb0.25)H2 possesses 4.5 wt% hydrogen gravimetric density, with 4 wt% being reversible. Volumetric hydrogen absorption measurements yield an enthalpy of hydride formation of −53 kJ mol−1 H2, which indicates a significant thermodynamic destabilization relative to the baseline −77 kJ mol−1 H2 for rutile MgH2. The hydrogenation cycling kinetics are remarkable. At room temperature and 1 bar hydrogen it takes 30 minutes to absorb a 1.5 μm thick film at sorption cycle 1, and 1 minute at cycle 5. Reversible desorption is achieved in about 60 minutes at 175 °C. Using ab initio calculations we have examined the thermodynamic stability of metallic alloys with hexagonal close packed (hcp) versus bcc crystal structure. Moreover we have analyzed the formation energies of the alloy hydrides that are bcc, rutile or fluorite.

Graphical abstract: Body centered cubic magnesium niobium hydride with facile room temperature absorption and four weight percent reversible capacity

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Publication details

The article was received on 26 Jun 2012, accepted on 26 Jun 2012 and first published on 27 Jun 2012


Article type: Communication
DOI: 10.1039/C2CP42136D
Citation: Phys. Chem. Chem. Phys., 2012,14, 10904-10909

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    Body centered cubic magnesium niobium hydride with facile room temperature absorption and four weight percent reversible capacity

    X. Tan, L. Wang, C. M. B. Holt, B. Zahiri, M. H. Eikerling and D. Mitlin, Phys. Chem. Chem. Phys., 2012, 14, 10904
    DOI: 10.1039/C2CP42136D

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