Physical Chemistry Chemical Physics · 2016 · 45 citations · 53 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsNanomaterialsPhysical ChemistryAb Initio MethodsCarbon NanomaterialsDensity Functional TheoryGraphene NanomaterialsNanomaterials For Energy StorageSurface PhysicsDefects In Carbon NanomaterialsDensity Functional Perturbation TheoryGrapheneGraphene DefectsGraphene Surface ChemistryGraphene-based MaterialsHydrogen Energy StorageTransport In Graphene
cluster at full hydrogen saturation. This indicates that hydrogen dissociation and migration may occur spontaneously at room temperature. This result shows that the interaction between the defects and the small metal clusters may explain the role that defects play in hydrogen migration from the catalyst to the substrate. Subsequently, it was found that thermal desorption does not limit chemisorbed hydrogen diffusion on the substrate. This work may thus help to determine experimental strategies with the capacity to enhance hydrogen storage.
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