Photocatalytic properties of TiO2: evidence of the key role of surface active sites in water oxidation

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dc.contributor.authorBak, Ten_AU
dc.contributor.authorLi, Wen_AU
dc.contributor.authorNowotny, Jen_AU
dc.contributor.authorAtanacio, AJen_AU
dc.contributor.authorDavis, Jen_AU
dc.date.accessioned2017-04-24T05:21:29Zen_AU
dc.date.available2017-04-24T05:21:29Zen_AU
dc.date.issued2015-08-21en_AU
dc.date.statistics2017-04-24en_AU
dc.description.abstractPhotocatalytic activity of oxide semiconductors is commonly considered in terms of the effect of the band gap on the light-induced performance. The present work considers a combined effect of several key performance-related properties (KPPs) on photocatalytic activity of TiO2 (rutile), including the chemical potential of electrons (Fermi level), the concentration of surface active sites, and charge transport, in addition to the band gap. The KPPs have been modified using defect engineering. This approach led to imposition of different defect disorders and the associated KPPs, which are defect-related. This work shows, for the first time, a competitive influence of different KPPs on photocatalytic activity that was tested using oxidation of methylene blue (MB). It is shown that the increase of oxygen activity in the TiO2 lattice from 10–12 Pa to 105 Pa results in (i) increase in the band gap from 2.42 to 2.91 eV (direct transitions) or 2.88 to 3 eV (indirect transitions), (ii) increase in the population of surface active sites, (iii) decrease of the Fermi level, and (iv) decrease of the charge transport. It is shown that the observed changes in the photocatalytic activity are determined by two dominant KPPs: the concentration of active surface sites and the Fermi level, while the band gap and charge transport have a minor effect on the photocatalytic performance. The effect of the defect-related properties on photoreactivity of TiO2 with water is considered in terms of a theoretical model offering molecular-level insight into the process. Copyright © 2017 American Chemical Societyen_AU
dc.identifier.citationBak, T., Li, W., Nowotny, J., Atanacio, A. J., & Davis, J. (2015). Photocatalytic properties of TiO2: evidence of the key role of surface active sites in water oxidation. Journal of Physical Chemistry A, 119(36), 9465-9473. doi:10.1021/acs.jpca.5b05031en_AU
dc.identifier.govdoc8121en_AU
dc.identifier.issn1089-5639en_AU
dc.identifier.issue36en_AU
dc.identifier.journaltitleJournal of Physical Chemistry Aen_AU
dc.identifier.pagination9465-9473en_AU
dc.identifier.urihttp://dx.doi.org/10.1021/acs.jpca.5b05031en_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/8618en_AU
dc.identifier.volume119en_AU
dc.language.isoenen_AU
dc.publisherAmerical Chemical Societyen_AU
dc.subjectOxidesen_AU
dc.subjectElectronsen_AU
dc.subjectFermi levelen_AU
dc.subjectCharged-particle transporten_AU
dc.subjectMethylene blueen_AU
dc.subjectPhotocatalysisen_AU
dc.titlePhotocatalytic properties of TiO2: evidence of the key role of surface active sites in water oxidationen_AU
dc.typeJournal Articleen_AU
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