Mo doped TiO<sub>2</sub>: impact on oxygen vacancies, anatase phase stability and photocatalytic activity

Simple item page
dc.contributor.authorKumaeavel, Vignesh
dc.contributor.authorRhatigan, Stephen
dc.contributor.authorMathew, Snehamol
dc.contributor.authorMichel, Marie Clara
dc.contributor.authorBartlett, John
dc.contributor.authorNolan, Michael
dc.contributor.authorHinder, Steven
dc.contributor.authorGascó, Antonio
dc.contributor.authorRuiz-Palomar, César
dc.contributor.authorHermosilla, Daphne
dc.contributor.authorPillai, Suresh
dc.contributor.funderInterregen
dc.contributor.funderDepartment of Jobs, Enterprise and Innovationen
dc.contributor.funderScience Foundation Irelanden
dc.contributor.funderHorizon 2020en
dc.contributor.funderEuropean Cooperation in Science and Technologyen
dc.contributor.funderUniversidad de Valladoliden
dc.contributor.funderBanco Santanderen
dc.date.accessioned2020-02-27T14:56:14Z
dc.date.available2020-02-27T14:56:14Z
dc.date.issued2020-02-10
dc.date.updated2020-02-27T14:39:14Z
dc.description.abstractThis work outlines an experimental and theoretical investigation of the effect of molybdenum (Mo) doping on the oxygen vacancy formation and photocatalytic activity of TiO2. Analytical techniques such as X-ray diffraction (XRD), Raman, X-ray photoelectron spectroscopy (XPS) and photoluminescence (PL) were used to probe the anatase to rutile transition (ART), surface features and optical characteristics of Mo doped TiO2 (Mo-TiO2). XRD results showed that the anatase to rutile transition was effectively impeded by 2 mol % Mo doping up to 750 °C, producing 67 % anatase and 33 % rutile. Moreover, the crystal growth of TiO2 was affected by Mo doping via its interaction with oxygen vacancies and the Ti—O bond. The formation of Ti—O—Mo and Mo—Ti—O bonds were confirmed by XPS results. Phonon confinement, lattice strain and non-stoichiometric defects were validated through the Raman analysis. DFT results showed that, after substitutional doping of Mo at a Ti site in anatase, the Mo oxidation state is Mo6+ and empty Mo-s states emerge at the titania conduction band minimum. The empty Mo-d states overlap the anatase conduction band in the DOS plot. A large energy cost, comparable to that computed for pristine anatase, is required to reduce Mo-TiO2 through oxygen vacancy formation. Mo5+ and Ti3+ are present after the oxygen vacancy formation and occupied states due to these reduced cations emerge in the energy gap of the titania host. PL studies revealed that the electron-hole recombination process in Mo-TiO2 was exceptionally lower than that of TiO2 anatase and rutile. This was ascribed to introduction of 5s gap states below the CB of TiO2 by the Mo dopant. Moreover, the photo-generated charge carriers could easily be trapped and localized on the TiO2 surface by Mo6+ and Mo5+ ions to improve the photocatalytic activity.en
dc.description.sponsorshipEuropean Union’s INTERREG VA Programme and Department of Jobs, Enterprise and Innovation, Ireland (Renewable Engine (RE) project funded by European Union’s INTERREG VA Programme, managed by the Special EU Programmes Body (SEUPB), with match funding provided by the Department of Economy, Department of Jobs, Enterprise and Innovation in Ireland); Science Foundation Ireland ((SFI through the ERA.Net for Materials Research and Innovation (M-ERA.Net 2), SFI Grant Number SFI/16/M-ERA/3418 (RATOCAT)); SFI funded computing resources at Tyndall Institute and the SFI/HEA funded Irish Centre for High End Computing)); European Cooperation in Science and Technology (COST Action CM1104 “Reducible Metal Oxides, Structure and Function”); Universidad de Valladolid and Banco Santander (“Movilidad UVa-BANCO SANTANDER 2019”); Universidad de Valladolid (Research initiative “Cátedra de Conocimiento e Innovación” from “Caja Rural de Soria”)en
dc.description.statusPeer revieweden
dc.description.versionAccepted Versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.citationVignesh, K., Stephen, R., Snehamol, M., Marie Clara, M., John, B., Michael, N., Steven, H., Antonio, G., César, R.-P., Daphne, H. and Suresh, P. (2020) 'Mo doped TiO<sub>2</sub>: impact on oxygen vacancies, anatase phase stability and photocatalytic activity', Journal of Physics: Materials, doi: 10.1088/2515-7639/ab749cen
dc.identifier.doi10.1088/2515-7639/ab749cen
dc.identifier.endpage29en
dc.identifier.issn2515-7639
dc.identifier.journaltitleJournal of Physics: Materialsen
dc.identifier.startpage1en
dc.identifier.urihttps://hdl.handle.net/10468/9708
dc.language.isoenen
dc.publisherIOP Publishingen
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.urihttp://iopscience.iop.org/10.1088/2515-7639/ab749c
dc.rights© 2020 The Author(s). Published by IOP Publishing Ltd. As the Version of Record of this article is going to be published on a gold open access basis under a CC BY 3.0 licence, this Accepted Manuscript is available for reuse under a CC BY 3.0 licence immediately. Everyone is permitted to use all or part of the original content in this article, provided that they adhere to all the terms of the licenceen
dc.rights.urihttps://creativecommons.org/licences/by/3.0en
dc.subjectPhotocatalysisen
dc.subjectCeramicsen
dc.subjectDopanten
dc.subjectXPSen
dc.subjectTitaniaen
dc.titleMo doped TiO<sub>2</sub>: impact on oxygen vacancies, anatase phase stability and photocatalytic activityen
dc.typeArticle (peer-reviewed)en
Files
Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
Kumaeavel+et+al_2020_J._Phys._Mater._10.1088_2515-7639_ab749c.pdf
Size:
1.54 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