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Issue 4, 2012
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Nanodiamond for hydrogen storage: Temperature-dependent hydrogenation and charge-induced dehydrogenation

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Abstract

Carbon-based hydrogen storage materials are one of hottest research topics in materials science. Although the majority of studies focus on highly porous loosely bound systems, these systems have various limitations including use at elevated temperature. Here we propose, based on computer simulations, that diamond nanoparticles may provide a new promising high temperature candidate with a moderate storage capacity, but good potential for recyclability. The hydrogenation of nanodiamonds is found to be easily achieved, in agreement with experiments, though we find the stability of hydrogenation is dependent on the morphology of nanodiamonds and surrounding environment. Hydrogenation is thermodynamically favourable even at high temperature in pure hydrogen, ammonia, and methane gas reservoirs, whereas water vapour can help to reduce the energy barrier for desorption. The greatest challenge in using this material is the breaking of the strong covalent C–H bonds, and we have identified that the spontaneous release of atomic hydrogen may be achieved through charging of hydrogenated nanodiamonds. If the degree of induced charge is properly controlled, the integrity of the host nanodiamond is maintained, which indicates that an efficient and recyclable approach for hydrogen release may be possible.

Graphical abstract: Nanodiamond for hydrogen storage: Temperature-dependent hydrogenation and charge-induced dehydrogenation

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Publication details

The article was received on 15 Aug 2011, accepted on 12 Oct 2011 and first published on 16 Nov 2011


Article type: Paper
DOI: 10.1039/C1NR11102G
Citation: Nanoscale, 2012,4, 1130-1137

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    Nanodiamond for hydrogen storage: Temperature-dependent hydrogenation and charge-induced dehydrogenation

    L. Lai and A. S. Barnard, Nanoscale, 2012, 4, 1130
    DOI: 10.1039/C1NR11102G

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