Destabilization of Mg―H bonding through nano-interfacial confinement by unsaturated carbon for hydrogen desorption from MgH2

We propose a new mechanism for destabilizing Mg-H bonding by means of a combination of the size effect and MgH2-carbon scaffold interfacial bonding, and experimentally realize low temperature hydrogen release starting from 50 °C using an MgH2@CMK-3 nanoconfinement system (37.5 wt% MgH2 loading amoun...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2013-04, Vol.15 (16), p.5814-5820
Main Authors: YI JIA, CHENGHUA SUN, LINA CHENG, ABDUL WAHAB, Md, JIE CUI, JIN ZOU, MIN ZHU, XIANGDONG YAO
Format: Article
Language:English
Subjects:
Chemistry
Exact sciences and technology
General and physical chemistry
Surface physical chemistry
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Summary:We propose a new mechanism for destabilizing Mg-H bonding by means of a combination of the size effect and MgH2-carbon scaffold interfacial bonding, and experimentally realize low temperature hydrogen release starting from 50 °C using an MgH2@CMK-3 nanoconfinement system (37.5 wt% MgH2 loading amount). Based on computational calculations, it is found that the charge transfer from MgH2 to the carbon scaffold plays a critical role in the significant reduction of thermodynamics of MgH2 dehydrogenation. Our results suggest how to explore an alternative route for the enhancement of nano-interfacial confinement to destabilize the Mg-H hydrogen storage system.
ISSN:1463-9076
1463-9084
DOI:10.1039/c3cp50515d