Destabilization of Mg–H bonding through nano-interfacial confinement by unsaturated carbon for hydrogen desorption from MgH2
Literature Information
Md Abdul Wahab, Jie Cui, Min Zhu
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.
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