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dc.contributor.authorSun, Chenghua
dc.contributor.authorJia, Yi
dc.contributor.authorYang, Xiao-Hua
dc.contributor.authorYang, Hua-Gui
dc.contributor.authorYao, Xiangdong
dc.contributor.authorLu, Gao Qing Max
dc.contributor.authorSelloni, Annabella
dc.contributor.authorSmith, Sean C
dc.date.accessioned2017-08-25T12:31:51Z
dc.date.available2017-08-25T12:31:51Z
dc.date.issued2011
dc.date.modified2012-03-09T05:51:42Z
dc.identifier.issn1932-7447
dc.identifier.doi10.1021/jp210472p
dc.identifier.urihttp://hdl.handle.net/10072/43524
dc.description.abstractHydrogen incorporation into well-defined nanocrystals of anatase titanium dioxide (TiO2) has been investigated by a combination of experimental studies and density functional theory (DFT) calculations. The hydrogenation of TiO2 nanocrystals was determined at 450 àwith an initial hydrogen pressure of 7.0 MP, and storage capacities of 1.0 wt % and 1.4 wt % were achieved for nanocrystals with predominant (001) and (101) surface terminations, respectively. X-ray diffraction and Raman spectroscopy measurements indicate that the TiO2 crystal structure is very well preserved during the hydrogenation. DFT calculations show that hydrogen occupies the interstitial sites between titanium-oxygen octahedra and the energy barrier for hydrogen incorporation through the anatase (101) surface is lower than that through (001).
dc.description.peerreviewedYes
dc.description.publicationstatusYes
dc.languageEnglish
dc.language.isoeng
dc.publisherAmerican Chemical Society
dc.publisher.placeUnited States
dc.relation.ispartofstudentpublicationN
dc.relation.ispartofpagefrom25590
dc.relation.ispartofpageto25594
dc.relation.ispartofissue51
dc.relation.ispartofjournalThe Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter
dc.relation.ispartofvolume115
dc.rights.retentionY
dc.subject.fieldofresearchChemical sciences
dc.subject.fieldofresearchSolid state chemistry
dc.subject.fieldofresearchPhysical properties of materials
dc.subject.fieldofresearchEngineering
dc.subject.fieldofresearchNanomaterials
dc.subject.fieldofresearchcode34
dc.subject.fieldofresearchcode340210
dc.subject.fieldofresearchcode340305
dc.subject.fieldofresearchcode40
dc.subject.fieldofresearchcode401807
dc.titleHydrogen Incorporation and Storage in Well-Defined Nanocrystals of Anatase Titanium Dioxide
dc.typeJournal article
dc.type.descriptionC1 - Articles
dc.type.codeC - Journal Articles
gro.date.issued2011
gro.hasfulltextNo Full Text
gro.griffith.authorJia, Yi


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