Please use this identifier to cite or link to this item: https://hdl.handle.net/11147/7753
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dc.contributor.authorKızılkaya, Ali Can-
dc.contributor.authorNiemantsverdriet, J. W.-
dc.contributor.authorWeststrate, C. J.-
dc.date.accessioned2020-03-04T08:19:39Z
dc.date.available2020-03-04T08:19:39Z
dc.date.issued2019-05en_US
dc.identifier.citationKızılkaya, A. C., Niemantsverdriet, J. W., and Weststrate, C. J. (2019). Effect of ammonia on cobalt Fischer-Tropsch synthesis catalysts: A surface science approach. Catalysis Science and Technology, 9(3), 702-710. doi:10.1039/c8cy01723aen_US
dc.identifier.issn2044-4753
dc.identifier.issn2044-4753-
dc.identifier.urihttps://doi.org/10.1039/C8CY01723A
dc.identifier.urihttps://hdl.handle.net/11147/7753
dc.description.abstractAmmonia adsorption and decomposition on defect-rich hcp-Co(0001) surfaces were investigated under ultra-high vacuum conditions in order to provide a fundamental explanation for industrially observed ammonia poisoning of cobalt based Fischer-Tropsch synthesis (FTS) catalysts. Temperature-programmed desorption, infrared spectroscopy and work function measurements indicate that undercoordinated sites bind ammonia stronger than sites on flat Co(0001), and they also induce its dehydrogenation. Density functional theory calculations were employed to explore the reactivity of defective Co surfaces using the fcc-Co(211) as a model. The results indicate that the decomposition products (NH x ) adsorb strongly on or around the step site on fcc-Co(211). We find that NH (+2H ad ), adsorbed in the threefold site on the upper terrace, is equally stable as NH 2 (+H ad ), adsorbed in the bridge position at the step edge, both being significantly more stable than the equivalent species adsorbed on the flat Co(0001). The calculated activation barriers for NH 3,ad dehydrogenation steps are in reasonable agreement with the barriers obtained by fitting experimental data. Based on these fundamental insights, poisoning of cobalt nanoparticles during FTS by NH 3 contaminants can be linked mainly to the blocking of undercoordinated sites by strongly adsorbed NH 2 species.en_US
dc.description.sponsorshipEuropean Graduate School on Sustainable Energy of DTU-TUM-TU/e and Synfuels China Technology, Co. Ltd.en_US
dc.language.isoenen_US
dc.publisherRoyal Society of Chemistryen_US
dc.relation.ispartofCatalysis Science and Technologyen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectFischer-Tropsch synthesisen_US
dc.subjectAmmoniaen_US
dc.subjectCatalyst poisoningen_US
dc.subjectAmmonia adsorptionen_US
dc.subjectCobalt nanoparticlesen_US
dc.titleEffect of ammonia on cobalt Fischer-Tropsch synthesis catalysts: A surface science approachen_US
dc.typeArticleen_US
dc.authorid0000-0003-0623-648Xen_US
dc.institutionauthorKızılkaya, Ali Can-
dc.departmentIzmir Institute of Technology. Chemical Engineeringen_US
dc.identifier.volume9en_US
dc.identifier.issue3en_US
dc.identifier.startpage702en_US
dc.identifier.endpage710en_US
dc.identifier.wosWOS:000459731200014en_US
dc.identifier.scopus2-s2.0-85061208416en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.identifier.doi10.1039/c8cy01723a-
dc.relation.doi10.1039/c8cy01723aen_US
dc.coverage.doi10.1039/c8cy01723aen_US
dc.identifier.scopusqualityQ1-
item.openairetypeArticle-
item.languageiso639-1en-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.grantfulltextopen-
item.fulltextWith Fulltext-
item.cerifentitytypePublications-
crisitem.author.dept03.02. Department of Chemical Engineering-
Appears in Collections:Chemical Engineering / Kimya Mühendisliği
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection
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