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Atomic Hydrogen Adsorption on the Basal Plane of Graphite

1 Atomic Hydrogen Adsorption on the Basal Plane of Graphite [Pg.98]

To understand the process of migration of atomic hydrogen on the graphite surface, the potential energy surface for interaction of hydrogen with a cluster [Pg.99]

Although lower-level calculations produced varying results, recent advanced ab initio and density functional theory (DFT)-based studies provide more reliable data. All the theoretical investigations noted above were, however, focused on chemisorption on the basal (0001) plane of graphite, and the results can be summarized as follows. Hydrogen atoms prefer adsorption sites directly above carbon atoms of graphite, and a stable phase is available based on the more advanced ab initio or DET methods. The dissociative chemisorption of molecular hydrogen [Pg.100]


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Adsorption of atom

Adsorption of hydrogen

Atomic adsorption

Atomic hydrogen adsorption

Atomic plane

Basal planes

Basal planes of graphite

Graphite atomizer

Graphite basal plane

Graphitic planes

Hydrogen on the

Hydrogenated graphite

Of graphite

Of the hydrogen atom

The Adsorption of Hydrogen

The hydrogen atom

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