Selective Hydrogen Adsorption in Graphene Rotated Bilayers
نویسندگان
چکیده
منابع مشابه
Localization of dirac electrons in rotated graphene bilayers.
For Dirac electrons the Klein paradox implies that the confinement is difficult to achieve with an electrostatic potential although it can be of great importance for graphene-based devices. Here, ab initio and tight-binding approaches are combined and show that the wave function of Dirac electrons can be localized in rotated graphene bilayers due to the Moire pattern. This localization of wave ...
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Graphene showed an unusually high hydrogen storage capacity as well as a unique, slow hydrogen adsorption process compared with a variety of carbon materials (carbon nanotubes, activated carbons, mesoporous carbons, templated carbons, and metal organic frameworks). Catalytic dissociation of hydrogen on graphene is observed for the first time. The hydrogen dissociation rate on graphene is also s...
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Adsorption of hydrogen atoms on a single graphite sheet (graphene) has been investigated by first-principles electronic structure means, employing plane-wave based periodic density functional theory. A 5 x 5 surface unit cell has been adopted to study single and multiple adsorptions of H atoms. Binding and barrier energies for sequential sticking have been computed for a number of configuration...
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We studied the interaction between a single hydrogen atom and a single graphene using classical molecular dynamics simulation with modified Brenner REBO potential. Three interactions, which are adsorption, reflection, penetration, were observed. Overhang structure appears and creates an adsorption site on the backside of the graphene. It is considered that backside adsorption occurs under the t...
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The adsorption behavior of hydrogen for synthesized graphitic carbon nitride (g-C3N4) and graphene oxide nanosheets was compared. The structure of the prepared g-C3N4 and graphene oxide samples were studied using TEM, FT-IR spectroscopy and surface area analysis. Textural results of the prepared nanosheets show that the surface area, total pore volume, and average internal diameter of g-C3N4 an...
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ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 2017
ISSN: 1520-6106,1520-5207
DOI: 10.1021/acs.jpcb.7b05085