Abstract
The storage of molecular hydrogen in a 3D realistic carbon structure — crumpled graphene under various conditions is investigated by molecular dynamics. The action of hydrostatic pressure and temperature are systematically investigated. It is revealed that the capacity of hydrogen storage of the crumpled graphene can be extended by decreasing the temperature and increasing the applied hydrostatic pressure. These results suggest possibilities in controlling the hydrogen storage of crumpled graphene and highlight the influence of hydrostatic compression and temperature for the dehydrogenation process.
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