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dc.contributor.authorCheng, Hongye
dc.contributor.authorKvande, Ingvar
dc.contributor.authorZhu, Yi-An
dc.contributor.authorHammer, Nina
dc.contributor.authorRønning, Magnus
dc.contributor.authorWalmsley, John
dc.contributor.authorLi, Ping
dc.contributor.authorQi, Zhiwen
dc.contributor.authorZhou, Xing-Gui
dc.contributor.authorChen, De
dc.date.accessioned2019-05-03T11:53:47Z
dc.date.available2019-05-03T11:53:47Z
dc.date.created2018-07-06T15:09:30Z
dc.date.issued2018
dc.identifier.citationJournal of Physical Chemistry C. 2018, 122 (13), 7166-7178.nb_NO
dc.identifier.issn1932-7447
dc.identifier.urihttp://hdl.handle.net/11250/2596463
dc.description.abstractGaining an insight into the interface structure resulting from the interaction between metal nanoparticles and their supports, particularly under relevant reaction conditions, has been an important topic in heterogeneous catalysis and materials science. In this contribution, the active sites and interfaces of Pt sub-nanocrystals supported on carbon nanofibers (CNFs) are investigated and visualized at the atomic level by highly integrated X-ray absorption near-edge structure, X-ray absorption fine structure (EXAFS), and molecular dynamics (MD) simulations based on a reactive force field. Experimental and theoretical results indicate that the surface structure of the CNFs is one of the key parameters that governs the metal–support interface structure, which in turn determines the metal–support interaction strength and the structural properties of Pt clusters, including cluster size, Pt coordination number, and Pt–Pt bond length. Owing to the strong interaction between Pt and CNFs, sub-nanometer-sized Pt clusters are stabilized on CNFs. The Pt–Pt coordination number determined from EXAFS suggests Pt clusters of ∼1 nm size are deposited on platelet-type CNFs (p-CNFs), whereas clusters smaller than 0.6 nm are supported on fishbone-type CNFs (f-CNFs). The catalysts exhibit high selectivity toward CO oxidation at relatively low temperatures in the presence of H2, and their activity is related to the Pt coordination number and Pt–Pt bond length. The Pt clusters on the p-CNFs with relatively high coordination number have much higher activity than those on f-CNFs. The combined EXAFS analysis and MD simulations provide a better understanding of the catalyst properties at the atomic level and pave the way to use the CNF structure as a platform to tune the Pt particle size and metal activity through manipulating the metal–support interaction.nb_NO
dc.language.isoengnb_NO
dc.publisherAmerican Chemical Societynb_NO
dc.titleDecoding atomic-level structures of the interface between Pt sub-nanocrystals and nanostructured carbonnb_NO
dc.typeJournal articlenb_NO
dc.typePeer reviewednb_NO
dc.description.versionacceptedVersionnb_NO
dc.source.pagenumber7166-7178nb_NO
dc.source.volume122nb_NO
dc.source.journalJournal of Physical Chemistry Cnb_NO
dc.source.issue13nb_NO
dc.identifier.doi10.1021/acs.jpcc.7b12191
dc.identifier.cristin1596139
dc.relation.projectNotur/NorStore: nn4685knb_NO
dc.description.localcode© American Chemical Society 2018. This is the authors accepted and refereed manuscript to the article. Locked until 12.03.2019 due to copyright restrictions.nb_NO
cristin.unitcode194,66,30,0
cristin.unitnameInstitutt for kjemisk prosessteknologi
cristin.ispublishedtrue
cristin.fulltextpostprint
cristin.qualitycode1


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