Indium-doped TiO2 photocatalysts with high-temperature anatase stability

Simple item page
dc.contributor.authorKumaravel, Vignesh
dc.contributor.authorRhatigan, Stephen
dc.contributor.authorMathew, Snehamol
dc.contributor.authorBartlett, John
dc.contributor.authorNolan, Michael
dc.contributor.authorHinder, Steven J.
dc.contributor.authorSharma, Preetam K.
dc.contributor.authorSingh, Anukriti
dc.contributor.authorByrne, J. Anthony
dc.contributor.authorHarrison, John
dc.contributor.authorPillai, Suresh C.
dc.contributor.funderInterregen
dc.contributor.funderScience Foundation Irelanden
dc.contributor.funderHigher Education Authorityen
dc.contributor.funderUlster Universityen
dc.contributor.funderInvest Northern Irelanden
dc.contributor.funderDepartment of Jobs, Enterprise and Innovationen
dc.date.accessioned2021-11-10T11:50:23Z
dc.date.available2021-11-10T11:50:23Z
dc.date.issued2019-08-05
dc.description.abstractThe thermal stability of anatase titanium dioxide (TiO2) is a prerequisite to fabricate photocatalyst-coated indoor building materials for use in antimicrobial and self-cleaning applications under normal room light illumination. Metal doping of TiO2 is an appropriate way to control the anatase to rutile phase transition (ART) at high processing temperatures. In this work, ART of indium (In)-doped TiO2 (In–TiO2) was investigated in detail in the range of 500–900 °C. In–TiO2 (In mol % = 0–16) was synthesized via a modified sol–gel approach. These nanoparticles were further characterized by means of powder X-ray diffraction (XRD), Raman, photoluminescence (PL), transient photocurrent response, and X-ray photoelectron spectroscopy (XPS) techniques. XRD results showed that the anatase phase was maintained up to 64% by 16 mol % of In doping at 800 °C of calcination temperature. XPS results revealed that the binding energies of Ti4+ (Ti 2p1/2 and Ti 2p3/2) were red-shifted by In doping. The influence of In doping on the electronic structure and oxygen vacancy formation of anatase TiO2 was studied using density functional theory corrected for on-site Coulomb interactions (DFT+U). First-principles results showed that the charge-compensating oxygen vacancies form spontaneously at sites adjacent to the In dopant. DFT+U calculations revealed the formation of In - 5s states in the band gap of the anatase host. The formation of In2O3 at the anatase surface was also examined using a slab model of the anatase (101) surface modified with a nanocluster of composition In4O6. The formation of a reducing oxygen vacancy also has a moderate energy cost and results in charge localization at In ions of the supported nanocluster. PL and photocurrent measurements suggested that the charge carrier recombination process in TiO2 was reduced in the presence of In dopant. The photocatalytic activity of 2% In–TiO2 calcined at 700 °C is more comparable with that of pure anatase.en
dc.description.statusPeer revieweden
dc.description.versionAccepted Versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.citationKumaravel, V., Rhatigan, S., Mathew, S., Bartlett, J., Nolan, M., Hinder, S. J., Sharma, P. K., Singh, A., Byrne, J. A., Harrison, J. and Pillai, S. C. (2019) 'Indium-doped TiO2 photocatalysts with high-temperature anatase stability', The Journal of Physical Chemistry C, 123 (34), pp.21083-21096. doi: 10.1021/acs.jpcc.9b06811en
dc.identifier.doi10.1021/acs.jpcc.9b06811en
dc.identifier.eissn1932-7455
dc.identifier.endpage21096en
dc.identifier.issn1932-7447
dc.identifier.issued34en
dc.identifier.journaltitleThe Journal of Physical Chemistry Cen
dc.identifier.startpage21083en
dc.identifier.urihttps://hdl.handle.net/10468/12187
dc.identifier.volume123en
dc.language.isoenen
dc.publisherAmerican Chemical Society (ACS)en
dc.relation.projectinfo:eu-repo/grantAgreement/EC/H2020::ERA-NET-Cofund/685451/EU/ERA-NET for materials research and innovation/M-ERA.NET 2en
dc.relation.projectInvest Northern Ireland (R&D project Novel Dielectrics RD071392)en
dc.rights2019, American Chemical Society. This document is the Accepted Manuscript version of a Published Work that appeared in final form in The Journal of Physical Chemistry C, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see https://pubs.acs.org/doi/10.1021/acs.jpcc.9b06811en
dc.subjectImpuritiesen
dc.subjectOxidesen
dc.subjectDefects in solidsen
dc.subjectMineralsen
dc.subjectDopingen
dc.titleIndium-doped TiO2 photocatalysts with high-temperature anatase stabilityen
dc.typeArticle (peer-reviewed)en
Files
Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
10681.pdf
Size:
2.15 MB
Format:
Adobe Portable Document Format
Description:
Accepted Version
Download
License bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
license.txt
Size:
2.71 KB
Format:
Item-specific license agreed upon to submission
Description:
Download
Collections
Tyndall National Institute - Journal Articles