ZrO2 Acting as a Redox Catalyst

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dc.contributor Aalto-yliopisto fi
dc.contributor Aalto University en
dc.contributor.author Kauppi, E. I.
dc.contributor.author Honkala, K.
dc.contributor.author Krause, A.O.I.
dc.contributor.author Kanervo, J. M.
dc.contributor.author Lefferts, L.
dc.date.accessioned 2017-05-11T07:14:25Z
dc.date.available 2017-05-11T07:14:25Z
dc.date.issued 2016-05-01
dc.identifier.citation Kauppi , E I , Honkala , K , Krause , A O I , Kanervo , J M & Lefferts , L 2016 , ' ZrO 2 Acting as a Redox Catalyst ' TOPICS IN CATALYSIS , vol 59 , no. 8-9 , pp. 823-832 . DOI: 10.1007/s11244-016-0556-4 en
dc.identifier.issn 1022-5528
dc.identifier.issn 1572-9028
dc.identifier.other PURE UUID: 4efc9591-45ea-4118-af06-b70d47ad80a0
dc.identifier.other PURE ITEMURL: https://research.aalto.fi/en/publications/zro2-acting-as-a-redox-catalyst(4efc9591-45ea-4118-af06-b70d47ad80a0).html
dc.identifier.other PURE LINK: http://www.scopus.com/inward/record.url?scp=84973879685&partnerID=8YFLogxK
dc.identifier.other PURE FILEURL: https://research.aalto.fi/files/11454660/Kauppi_et_al_2016_Acting_Redox_Catalyst.pdf
dc.identifier.uri https://aaltodoc.aalto.fi/handle/123456789/25501
dc.description.abstract Surface 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. en
dc.format.extent 10
dc.format.extent 823-832
dc.format.mimetype application/pdf
dc.language.iso en en
dc.relation.ispartofseries TOPICS IN CATALYSIS en
dc.relation.ispartofseries Volume 59, issue 8-9 en
dc.rights openAccess en
dc.subject.other Catalysis en
dc.subject.other Chemistry(all) en
dc.subject.other 215 Chemical engineering en
dc.title ZrO2 Acting as a Redox Catalyst en
dc.type A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä fi
dc.description.version Peer reviewed en
dc.contributor.department Department of Biotechnology and Chemical Technology
dc.contributor.department University of Jyväskylä
dc.contributor.department Department of Chemical and Metallurgical Engineering en
dc.subject.keyword CPOM
dc.subject.keyword HS
dc.subject.keyword Hydroxyl groups
dc.subject.keyword Redox
dc.subject.keyword Tar oxidation
dc.subject.keyword WGS
dc.subject.keyword ZrO
dc.subject.keyword Catalysis
dc.subject.keyword Chemistry(all)
dc.subject.keyword 215 Chemical engineering
dc.identifier.urn URN:NBN:fi:aalto-201705113885
dc.identifier.doi 10.1007/s11244-016-0556-4
dc.type.version publishedVersion

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