QLDFT simulations predict that honeycomb ZnO monolayers adsorb H2 with an isosteric heat of about 3.2 kJ/mol at low coverage and storage capacities intermediate between graphene and MOF-5, with stronger lateral confinement than graphene.
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Adsorption of molecular hydrogen on honeycomb ZnO monolayers: A quantum density-functional theory perspective
QLDFT simulations predict that honeycomb ZnO monolayers adsorb H2 with an isosteric heat of about 3.2 kJ/mol at low coverage and storage capacities intermediate between graphene and MOF-5, with stronger lateral confinement than graphene.