Ni-dispersed fullerenes: Hydrogen storage and desorption properties

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dc.contributor.authorShin, Weon-Hoko
dc.contributor.authorYang, Seong-Hoko
dc.contributor.authorGoddard, William A.ko
dc.contributor.authorKang, Jeung-Kuko
dc.date.accessioned2013-03-06T23:36:54Z-
dc.date.available2013-03-06T23:36:54Z-
dc.date.created2012-02-06-
dc.date.created2012-02-06-
dc.date.issued2006-01-
dc.identifier.citationAPPLIED PHYSICS LETTERS, v.88, no.5-
dc.identifier.issn0003-6951-
dc.identifier.urihttp://hdl.handle.net/10203/88834-
dc.description.abstractOur study shows that the H-2 storage media using Ni-dispersed fullerenes could be viable alternatives to reversible hydrogen storage. It is demonstrated that a single Ni coated on the fullerene surface can store up to three H-2 molecules. Consequently, at high Ni coverage, Ni-dispersed fullerenes are considered to be the novel hydrogen storage media capable of storing similar to 6.8 wt % H-2, thus exceeding the Department of Energy target (6.5 wt %) for automobile applications. Moreover, the H-2 desorption activation barrier of 11.8 kcal/mol H-2 is ideal for many practical hydrogen storage applications. (c) 2006 American Institute of Physics.-
dc.languageEnglish-
dc.publisherAMER INST PHYSICS-
dc.subjectDENSITY-FUNCTIONAL APPROXIMATION-
dc.subjectMOLECULAR-ORBITAL METHODS-
dc.subjectGAUSSIAN-BASIS SETS-
dc.subjectCARBON NANOTUBES-
dc.subjectEXCHANGE-ENERGY-
dc.subjectBEHAVIOR-
dc.subjectC-60-
dc.subjectGAS-
dc.titleNi-dispersed fullerenes: Hydrogen storage and desorption properties-
dc.typeArticle-
dc.identifier.wosid000235136700077-
dc.identifier.scopusid2-s2.0-31944433302-
dc.type.rimsART-
dc.citation.volume88-
dc.citation.issue5-
dc.citation.publicationnameAPPLIED PHYSICS LETTERS-
dc.identifier.doi10.1063/1.2168775-
dc.contributor.localauthorKang, Jeung-Ku-
dc.contributor.nonIdAuthorYang, Seong-Ho-
dc.contributor.nonIdAuthorGoddard, William A.-
dc.type.journalArticleArticle-
dc.subject.keywordPlusDENSITY-FUNCTIONAL APPROXIMATION-
dc.subject.keywordPlusMOLECULAR-ORBITAL METHODS-
dc.subject.keywordPlusGAUSSIAN-BASIS SETS-
dc.subject.keywordPlusCARBON NANOTUBES-
dc.subject.keywordPlusEXCHANGE-ENERGY-
dc.subject.keywordPlusBEHAVIOR-
dc.subject.keywordPlusC-60-
dc.subject.keywordPlusGAS-
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