Hydrogen adsorption on hexagonal silicon nanotubes

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dc.creatorRyou, Junga
dc.creatorHong, Suklyun
dc.creatorKim, Gunn
dc.date2009-01-08
dc.date.accessioned2026-07-07T12:27:37Z
dc.date.available2026-07-07T12:27:37Z
dc.descriptionWe present a first-principles study of geometrical structure and energetics of hydrogen adsorbed on hexagonal single-walled silicon nanotubes (SiNTs). The adsorption behaviors of hydrogen molecules in SiNTs are investigated. The binding energies for the most stable physisorbed configurations are calculated to be less than 0.1 eV. The energy barriers are also investigated for dissociation of H2 molecules. Finally, we consider encapsulation of H2 molecules in SiNTs. The possibility of SiNTs as hydrogen storage materials is discussed.
dc.identifierhttps://arxiv.org/abs/0901.1029
dc.identifierhttp://arxiv.org/abs/0901.1029
dc.identifierSolid State Communications 148, 469 (2008)
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/215265
dc.subjectMaterials Science
dc.titleHydrogen adsorption on hexagonal silicon nanotubes
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