Please use this identifier to cite or link to this item: http://hdl.handle.net/10397/78980
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dc.contributorDepartment of Mechanical Engineeringen_US
dc.creatorYu, Yen_US
dc.creatorYang, Xen_US
dc.creatorZhao, Yen_US
dc.creatorZhang, Xen_US
dc.creatorAn, Len_US
dc.creatorHuang, Men_US
dc.creatorChen, Gen_US
dc.creatorZhang, Ren_US
dc.date.accessioned2018-10-26T01:21:58Z-
dc.date.available2018-10-26T01:21:58Z-
dc.identifier.issn1433-7851en_US
dc.identifier.urihttp://hdl.handle.net/10397/78980-
dc.language.isoenen_US
dc.publisherWiley-VCHen_US
dc.rights© 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheimen_US
dc.rightsThis is the peer reviewed version of the following article: Yu, Y., Yang, X., Zhao, Y., Zhang, X., An, L., Huang, M., ... & Zhang, R. (2018). Engineering the band gap states of the rutile TiO2 (110) surface by modulating the active heteroatom. Angewandte Chemie International Edition, 57(28), 8550-8554 , which has been published in final form at https://doi.org/10.1002/anie.201803928. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Use of Self-Archived Versions. This article may not be enhanced, enriched or otherwise transformed into a derivative work, without express permission from Wiley or by statutory rights under applicable legislation. Copyright notices must not be removed, obscured or modified. The article must be linked to Wiley’s version of record on Wiley Online Library and any embedding, framing or otherwise making available the article or pages thereof by third parties from platforms, services and websites other than Wiley Online Library must be prohibited.en_US
dc.subjectBand gap statesen_US
dc.subjectCr-VI reductionen_US
dc.subjectDensity functional theoryen_US
dc.subjectRutile TiO2en_US
dc.subjectSubstitutional N dopingen_US
dc.titleEngineering the band gap states of the rutile TiO2(110) surface by modulating the active heteroatomen_US
dc.typeJournal/Magazine Articleen_US
dc.description.otherinformationTitle on author’s file: Band-gap state engineering in rutile TiO2 (110) surface by modulating the active heteroatomen_US
dc.identifier.spage8550en_US
dc.identifier.epage8554en_US
dc.identifier.volume57en_US
dc.identifier.issue28en_US
dc.identifier.doi10.1002/anie.201803928en_US
dcterms.abstractIntroducing band gap states to TiO2 photocatalysts is an efficient strategy for expanding the range of accessible energy available in the solar spectrum. However, few approaches are able to introduce band gap states and improve photocatalytic performance simultaneously. Introducing band gap states by creating surface disorder can incapacitate reactivity where unambiguous adsorption sites are a prerequisite. An alternative method for introduction of band gap states is demonstrated in which selected heteroatoms are implanted at preferred surface sites. Theoretical prediction and experimental verification reveal that the implanted heteroatoms not only introduce band gap states without creating surface disorder, but also function as active sites for the Cr-VI reduction reaction. This promising approach may be applicable to the surfaces of other solar harvesting materials where engineered band gap states could be used to tune photophysical and -catalytic properties.en_US
dcterms.accessRightsopen accessen_US
dcterms.bibliographicCitationAngewandte chemie international edition, 9 July 2018, v. 57, no. 28, p. 8550-8554en_US
dcterms.isPartOfAngewandte chemie international editionen_US
dcterms.issued2018-07-09-
dc.identifier.isiWOS:000437668700032-
dc.identifier.pmid29676041-
dc.identifier.eissn1521-3773en_US
dc.description.validate201810 bcrcen_US
dc.description.oaAccepted Manuscripten_US
dc.identifier.FolderNumberME-0628-
dc.description.fundingSourceOthersen_US
dc.description.fundingTextNational Natural Science Foundation of China; China Postdoctoral Science Foundation funded project; Guangdong-Hong Kong Technology Cooperation Funding Scheme; Science Technology and Innovation Committee of Shenzhen Municipality; the "Hong Kong Scholars Program"en_US
dc.description.pubStatusPublisheden_US
dc.identifier.OPUS20433964-
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