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dc.contributor.authorKauppi, E. I.
dc.contributor.authorHonkala, Karoliina
dc.contributor.authorKrause, A. O. I.
dc.contributor.authorKanervo, J. M.
dc.contributor.authorLefferts, L.
dc.date.accessioned2016-06-14T04:51:05Z
dc.date.available2016-06-14T04:51:05Z
dc.date.issued2016
dc.identifier.citationKauppi, E. I., Honkala, K., Krause, A. O. I., Kanervo, J. M., & Lefferts, L. (2016). ZrO2 Acting as a Redox Catalyst. <em>Topics in Catalysis</em>, 59 (8), 823-832. <a href="http://dx.doi.org/10.1007/s11244-016-0556-4">doi:10.1007/s11244-016-0556-4</a>
dc.identifier.otherTUTKAID_69917
dc.identifier.urihttps://jyx.jyu.fi/handle/123456789/50290
dc.description.abstractSurface defects are discussed and reviewed with regards to the use of ZrO2 in applications involving interactions with CO, H2, CH4, CO2, water and hydrocarbons. Studies of catalytic partial oxidation of methane reveal that part of the surface lattice oxygen in terraces can be removed by methane at high temperatures (e.g. 900 °C). The reaction proceeds via a surface confined redox mechanism. The studies presented here also highlight that defects play a decisive role in the water–gas-shift reaction, since the reaction is likely carried out via OH groups present at defect sites, which are regenerated by dissociating water. Hydroxyl chemistry on ZrO2 is briefly reviewed related to the studies presented. Finally, new density functional theory calculations were conducted to find out how H2S interacts with ZrO2 surface (defect sites), in order to explain enhancement of activity in naphthalene and ammonia oxidation by H2S. Molecularly adsorbed H2S as well as terminal SH species (produced by dissociation of H2S) cannot be responsible for enhanced reactivity of surface oxygen. In contrast, multi-coordinated SH induced a relatively weak increase of the reactivity of neighboring OH groups according to thermodynamic calculations. Probably, the right active site responsible for the observed H2S-induced enhancement of oxidation activity on ZrO2 is yet to be discovered.
dc.language.isoeng
dc.publisherSpringer US
dc.relation.ispartofseriesTopics in Catalysis
dc.subject.otherZrO2
dc.subject.otherCPOM
dc.subject.otherWGS
dc.subject.othertar oxidation
dc.subject.otherH2S
dc.subject.otherhydroxyl groups
dc.subject.otherredox
dc.titleZrO2 Acting as a Redox Catalyst
dc.typearticle
dc.identifier.urnURN:NBN:fi:jyu-201606133045
dc.contributor.laitosKemian laitosfi
dc.contributor.laitosDepartment of Chemistryen
dc.contributor.oppiaineFysikaalinen kemia
dc.type.urihttp://purl.org/eprint/type/JournalArticle
dc.date.updated2016-06-13T09:15:03Z
dc.type.coarjournal article
dc.description.reviewstatuspeerReviewed
dc.format.pagerange823-832
dc.relation.issn1022-5528
dc.relation.volume59
dc.type.versionpublishedVersion
dc.rights.copyright© The Author(s) 2016. This article is published with open access at Springerlink.com and distributed under the terms of the Creative Commons Attribution 4.0 International License.
dc.rights.accesslevelopenAccessfi
dc.rights.urlhttp://creativecommons.org/licenses/by/4.0/
dc.relation.doi10.1007/s11244-016-0556-4


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© The Author(s) 2016. This article is published with open access at Springerlink.com and distributed under the terms of the Creative Commons Attribution 4.0 International License.
Except where otherwise noted, this item's license is described as © The Author(s) 2016. This article is published with open access at Springerlink.com and distributed under the terms of the Creative Commons Attribution 4.0 International License.