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Article: Splitting water on metal oxide surfaces
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TitleSplitting water on metal oxide surfaces
 
AuthorsXu, H2
Zhang, RQ3
Ng, AMC2 1
Djurišić, AB1
Chan, HT1
Chan, WK1
Tong, SY2
 
Issue Date2011
 
PublisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/journals/jpccck/
 
CitationJournal Of Physical Chemistry C, 2011, v. 115 n. 40, p. 19710-19715 [How to Cite?]
DOI: http://dx.doi.org/10.1021/jp2032884
 
AbstractWe have identified a class of metal oxide surfaces that are very effective in dissociating water. These oxide surfaces are characterized by having their surface O 2p level lying significantly above the valence band maximum (VBM) and within the band gap. Density functional theory is used to determine the adsorption energy per water molecule and finds that water dissociates completely at all coverages on these surfaces. Fourier transform infrared (FTIR) spectroscopy is used to verify that there is little or no molecular water present on the surface. Besides splitting water, this class of metal oxide surfaces should also be effective in splitting other kinds of hydrogen compounds. By contrast, oxides whose surface O 2p level lies buried inside the valence band are much less reactive, and water adsorbs on these surfaces in molecular form. © 2011 American Chemical Society.
 
ISSN1932-7447
2012 Impact Factor: 4.814
2012 SCImago Journal Rankings: 2.161
 
DOIhttp://dx.doi.org/10.1021/jp2032884
 
ReferencesReferences in Scopus
 
DC FieldValue
dc.contributor.authorXu, H
 
dc.contributor.authorZhang, RQ
 
dc.contributor.authorNg, AMC
 
dc.contributor.authorDjurišić, AB
 
dc.contributor.authorChan, HT
 
dc.contributor.authorChan, WK
 
dc.contributor.authorTong, SY
 
dc.date.accessioned2012-08-16T05:49:12Z
 
dc.date.available2012-08-16T05:49:12Z
 
dc.date.issued2011
 
dc.description.abstractWe have identified a class of metal oxide surfaces that are very effective in dissociating water. These oxide surfaces are characterized by having their surface O 2p level lying significantly above the valence band maximum (VBM) and within the band gap. Density functional theory is used to determine the adsorption energy per water molecule and finds that water dissociates completely at all coverages on these surfaces. Fourier transform infrared (FTIR) spectroscopy is used to verify that there is little or no molecular water present on the surface. Besides splitting water, this class of metal oxide surfaces should also be effective in splitting other kinds of hydrogen compounds. By contrast, oxides whose surface O 2p level lies buried inside the valence band are much less reactive, and water adsorbs on these surfaces in molecular form. © 2011 American Chemical Society.
 
dc.description.natureLink_to_subscribed_fulltext
 
dc.identifier.citationJournal Of Physical Chemistry C, 2011, v. 115 n. 40, p. 19710-19715 [How to Cite?]
DOI: http://dx.doi.org/10.1021/jp2032884
 
dc.identifier.citeulike9860311
 
dc.identifier.doihttp://dx.doi.org/10.1021/jp2032884
 
dc.identifier.epage19715
 
dc.identifier.hkuros205711
 
dc.identifier.issn1932-7447
2012 Impact Factor: 4.814
2012 SCImago Journal Rankings: 2.161
 
dc.identifier.issue40
 
dc.identifier.scopuseid_2-s2.0-80053917896
 
dc.identifier.spage19710
 
dc.identifier.urihttp://hdl.handle.net/10722/159419
 
dc.identifier.volume115
 
dc.languageeng
 
dc.publisherAmerican Chemical Society. The Journal's web site is located at http://pubs.acs.org/journals/jpccck/
 
dc.publisher.placeUnited States
 
dc.relation.ispartofJournal of Physical Chemistry C
 
dc.relation.referencesReferences in Scopus
 
dc.titleSplitting water on metal oxide surfaces
 
dc.typeArticle
 
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Author Affiliations
  1. The University of Hong Kong
  2. University of Science and Technology of China
  3. City University of Hong Kong