000864241 001__ 864241
000864241 005__ 20210130002458.0
000864241 0247_ $$2doi$$a10.1063/1.5109955
000864241 0247_ $$2ISSN$$a0021-9606
000864241 0247_ $$2ISSN$$a1089-7690
000864241 0247_ $$2ISSN$$a1520-9032
000864241 0247_ $$2Handle$$a2128/22568
000864241 0247_ $$2altmetric$$aaltmetric:64250018
000864241 0247_ $$2pmid$$apmid:31370552
000864241 0247_ $$2WOS$$aWOS:000478625700040
000864241 037__ $$aFZJ-2019-04075
000864241 082__ $$a530
000864241 1001_ $$00000-0001-9229-9203$$aKettner, Miroslav$$b0$$eCorresponding author
000864241 245__ $$aAnion-mediated electronic effects in reducible oxides: Tuning the valence band of ceria via fluorine doping
000864241 260__ $$aMelville, NY$$bAmerican Institute of Physics$$c2019
000864241 3367_ $$2DRIVER$$aarticle
000864241 3367_ $$2DataCite$$aOutput Types/Journal article
000864241 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article$$bjournal$$mjournal$$s1565266671_27105
000864241 3367_ $$2BibTeX$$aARTICLE
000864241 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000864241 3367_ $$00$$2EndNote$$aJournal Article
000864241 520__ $$aCombining experimental spectroscopy and hybrid density functional theory calculations, we show that the incorporation of fluoride ions into a prototypical reducible oxide surface, namely, ceria(111), can induce a variety of nontrivial changes to the local electronic structure, beyond the expected increase in the number of Ce3+ ions. Our resonant photoemission spectroscopy results reveal new states above, within, and below the valence band, which are unique to the presence of fluoride ions at the surface. With the help of hybrid density functional calculations, we show that the different states arise from fluoride ions in different atomic layers in the near surface region. In particular, we identify a structure in which a fluoride ion substitutes for an oxygen ion at the surface, with a second fluoride ion on top of a surface Ce4+ ion giving rise to F 2p states which overlap the top of the O 2p band. The nature of this adsorbate F−–Ce4+ resonant enhancement feature suggests that this bond is at least partially covalent. Our results demonstrate the versatility of anion doping as a potential means of tuning the valence band electronic structure of ceria
000864241 536__ $$0G:(DE-HGF)POF3-522$$a522 - Controlling Spin-Based Phenomena (POF3-522)$$cPOF3-522$$fPOF III$$x0
000864241 588__ $$aDataset connected to CrossRef
000864241 7001_ $$0P:(DE-Juel1)165376$$aDuchoň, Tomáš$$b1
000864241 7001_ $$00000-0001-5902-4187$$aWolf, Matthew J.$$b2
000864241 7001_ $$00000-0003-3570-0050$$aKullgren, Jolla$$b3
000864241 7001_ $$00000-0003-3991-4232$$aSenanayake, Sanjaya D.$$b4
000864241 7001_ $$00000-0003-2352-0458$$aHermansson, Kersti$$b5
000864241 7001_ $$00000-0001-8106-5815$$aVeltruská, Kateřina$$b6
000864241 7001_ $$00000-0003-3057-5780$$aNehasil, Václav$$b7
000864241 773__ $$0PERI:(DE-600)1473050-9$$a10.1063/1.5109955$$gVol. 151, no. 4, p. 044701 -$$n4$$p044701 -$$tThe journal of chemical physics$$v151$$x1089-7690$$y2019
000864241 8564_ $$uhttps://juser.fz-juelich.de/record/864241/files/1.5109955.pdf$$yPublished on 2019-07-22. Available in OpenAccess from 2020-07-22.
000864241 8564_ $$uhttps://juser.fz-juelich.de/record/864241/files/1.5109955.pdf?subformat=pdfa$$xpdfa$$yPublished on 2019-07-22. Available in OpenAccess from 2020-07-22.
000864241 909CO $$ooai:juser.fz-juelich.de:864241$$pdnbdelivery$$pdriver$$pVDB$$popen_access$$popenaire
000864241 9101_ $$0I:(DE-588b)5008462-8$$6P:(DE-Juel1)165376$$aForschungszentrum Jülich$$b1$$kFZJ
000864241 9131_ $$0G:(DE-HGF)POF3-522$$1G:(DE-HGF)POF3-520$$2G:(DE-HGF)POF3-500$$3G:(DE-HGF)POF3$$4G:(DE-HGF)POF$$aDE-HGF$$bKey Technologies$$lFuture Information Technology - Fundamentals, Novel Concepts and Energy Efficiency (FIT)$$vControlling Spin-Based Phenomena$$x0
000864241 9141_ $$y2019
000864241 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS
000864241 915__ $$0StatID:(DE-HGF)0600$$2StatID$$aDBCoverage$$bEbsco Academic Search
000864241 915__ $$0StatID:(DE-HGF)0530$$2StatID$$aEmbargoed OpenAccess
000864241 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR$$bJ CHEM PHYS : 2017
000864241 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection
000864241 915__ $$0StatID:(DE-HGF)0110$$2StatID$$aWoS$$bScience Citation Index
000864241 915__ $$0StatID:(DE-HGF)0111$$2StatID$$aWoS$$bScience Citation Index Expanded
000864241 915__ $$0StatID:(DE-HGF)9900$$2StatID$$aIF < 5
000864241 915__ $$0StatID:(DE-HGF)0030$$2StatID$$aPeer Review$$bASC
000864241 915__ $$0StatID:(DE-HGF)1150$$2StatID$$aDBCoverage$$bCurrent Contents - Physical, Chemical and Earth Sciences
000864241 915__ $$0StatID:(DE-HGF)0310$$2StatID$$aDBCoverage$$bNCBI Molecular Biology Database
000864241 915__ $$0StatID:(DE-HGF)0430$$2StatID$$aNational-Konsortium
000864241 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline
000864241 915__ $$0StatID:(DE-HGF)0320$$2StatID$$aDBCoverage$$bPubMed Central
000864241 915__ $$0StatID:(DE-HGF)0420$$2StatID$$aNationallizenz
000864241 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bClarivate Analytics Master Journal List
000864241 9201_ $$0I:(DE-Juel1)PGI-6-20110106$$kPGI-6$$lElektronische Eigenschaften$$x0
000864241 980__ $$ajournal
000864241 980__ $$aVDB
000864241 980__ $$aUNRESTRICTED
000864241 980__ $$aI:(DE-Juel1)PGI-6-20110106
000864241 9801_ $$aFullTexts