Hydrogen storage in pillared Li-dispersed boron carbide nanotubes

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dc.creatorWu, Xiaojun
dc.creatorGao, Yi
dc.creatorZeng, Xiao Cheng
dc.date2007-03-20
dc.date.accessioned2026-07-07T07:52:46Z
dc.date.available2026-07-07T07:52:46Z
dc.descriptionAb initio density-functional theory study suggests that pillared Li-dispersed boron carbide nanotubes is capable of storing hydrogen with a mass density higher than 6.0 weight% and a volumetric density higher than 45 g/L. The boron substitution in carbon nanotube greatly enhances the binding energy of Li atom to the nanotube, and this binding energy (~ 2.7 eV) is greater than the cohesive energy of lithium metal (~1.7 eV), preventing lithium from aggregation (or segregation) at high lithium doping concentration. The adsorption energy of hydrogen on the Li-dispersed boron carbide nanotube is in the range of 10 ~24 kJ/mol, suitable for reversible H2 adsorption/desorption at room temperature and near ambient pressure.
dc.description17 pages, 4 figures
dc.identifierhttps://arxiv.org/abs/cond-mat/0703519
dc.identifierhttp://arxiv.org/abs/cond-mat/0703519
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/125998
dc.subjectMaterials Science
dc.titleHydrogen storage in pillared Li-dispersed boron carbide nanotubes
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