| DOI | Resolve DOI: https://doi.org/10.1039/c2cp42136d |
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| Author | Search for: Tan, Xuehai1; Search for: Wang, Liya; Search for: Holt, Chris M. B.1; Search for: Zahiri, Beniamin1; Search for: Eikerling, Michael H.; Search for: Mitlin, David1 |
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| Affiliation | - National Research Council of Canada. Security and Disruptive Technologies
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| Format | Text, Article |
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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. |
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| Publication date | 2012-06-27 |
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| In | |
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| Language | English |
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| Peer reviewed | Yes |
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| NPARC number | 21268940 |
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| Export citation | Export as RIS |
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| Report a correction | Report a correction (opens in a new tab) |
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| Record identifier | dda04126-d142-4f04-be6f-e6ff57619079 |
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| Record created | 2013-11-27 |
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| Record modified | 2020-04-21 |
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