Surface modification of TiO2 with copper clusters for band gap narrowing

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dc.check.date2019-12-15
dc.check.infoAccess to this article is restricted until 24 months after publication by request of the publisher.en
dc.contributor.authorSharma, Preetam K.
dc.contributor.authorCortes, Maria Ana L. R. M.
dc.contributor.authorHamilton, Jeremy W. J.
dc.contributor.authorHan, Yisong
dc.contributor.authorByrne, J. Anthony
dc.contributor.authorNolan, Michael
dc.contributor.funderNational Science Foundationen
dc.contributor.funderScience Foundation Irelanden
dc.contributor.funderDepartment for Educationen
dc.contributor.funderUlster Universityen
dc.contributor.funderHigher Education Authorityen
dc.contributor.funderInvest Northern Ireland, United Statesen
dc.date.accessioned2017-12-20T12:01:03Z
dc.date.available2017-12-20T12:01:03Z
dc.date.issued2017-12-15
dc.date.updated2017-12-20T11:49:18Z
dc.description.abstractSurface modification of photocatalytic materials to give better activity, and potentially extending the response into the visible spectrum, is an area of active research. In this work, DFT modelling suggests that surface modification of rutile and anatase TiO2 with partially oxidised copper clusters can induce a red shift in the photo-action spectrum. Copper clusters were synthesised and characterised separately before TiO2 nanoparticle surface modification. Characterisation of copper clusters and photocatalysts modified with copper clusters showed that ex-situ synthesis can control the size of surface clusters. Sub-nanometre clusters of copper maintained their size and morphology upon attachment to the photocatalyst surface. The copper clusters we determined to be a mixture of Cu(0) and Cu(I), and no significant change in the oxidation state was observed following surface modification or following photoelectrochemical measurements. Experimental measurements including UV–vis spectroscopy and valence band XPS showed a small red shift the band gap correlating to the DFT predictions. Photoelectrochemical characterisation showed an enhancement in the UV photocurrent response and a small red shift in the effective band gap for the surface modified TiO2.en
dc.description.sponsorshipNational Science Foundation (US-Ireland R&D Partnership Program, NSF (CBET-1438721)); Department for Education (DfE (USI065)); Ulster University (PhD scholarship); Invest Northern Ireland (RD0713920); Science Foundation Ireland and Higher Education Authority (Irish Centre for High End Computing)en
dc.description.statusPeer revieweden
dc.description.versionAccepted Versionen
dc.format.mimetypeapplication/pdfen
dc.identifier.citationSharma, P. K., Cortes, M. A. L. R. M., Hamilton, J. W. J., Han, Y., Byrne, J. A. and Nolan, M. (2017) 'Surface modification of TiO2 with copper clusters for band gap narrowing', Catalysis Today, 321-322, pp. 9-17. doi: 1016/j.cattod.2017.12.002en
dc.identifier.doi10.1016/j.cattod.2017.12.002
dc.identifier.endpage17
dc.identifier.issn0920-5861
dc.identifier.journaltitleCatalysis Todayen
dc.identifier.startpage9
dc.identifier.urihttps://hdl.handle.net/10468/5201
dc.identifier.volume321-322
dc.language.isoenen
dc.publisherElsevieren
dc.relation.projectinfo:eu-repo/grantAgreement/SFI/SFI US Ireland R&D Partnership/14/US/E2915/IE/SusChEM: Using theory-driven design to tailor novel nanocomposite oxides for solar fuel production/en
dc.relation.urihttps://www.sciencedirect.com/science/article/pii/S0920586117308210
dc.rights© 2017 Elsevier B.V. All rights reserved. This manuscript version is made available under the CC BY-NC-ND 4.0 license.en
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0en
dc.subjectTiO2en
dc.subjectCopper clustersen
dc.subjectSurface modificationen
dc.subjectBand gap engineeringen
dc.subjectDFT modellingen
dc.subjectX-ray photoelectron spectroscopyen
dc.subjectPhotoelectrochemical water splittingen
dc.titleSurface modification of TiO2 with copper clusters for band gap narrowingen
dc.typeArticle (peer-reviewed)en
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