We 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 on 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 H-2 molecules. Finally, we consider encapsulation of H-2 molecules in SiNTs. The possibility of SiNTs as hydrogen storage materials is discussed.
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