Por favor, use este identificador para citar o enlazar a este item: http://hdl.handle.net/10261/21587
COMPARTIR / EXPORTAR:
logo share SHARE logo core CORE BASE
Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL | DATACITE

Invitar a revisión por pares abierta
Campo DC Valor Lengua/Idioma
dc.contributor.authorWang, Xianqin-
dc.contributor.authorHanson, Jonathan C.-
dc.contributor.authorLiu, Gang-
dc.contributor.authorRodríguez, José A.-
dc.contributor.authorIglesias Juez, Ana-
dc.contributor.authorFernández, M.-
dc.date.accessioned2010-02-24T14:11:47Z-
dc.date.available2010-02-24T14:11:47Z-
dc.date.issued2004-09-15-
dc.identifier.citationJournal of Chemical Physics 121(11): 5434 (2004)en_US
dc.identifier.issn0021-9606-
dc.identifier.urihttp://hdl.handle.net/10261/21587-
dc.description11 pages, 12 figures, 3 tables.-- PACS: 61.46.+w; 61.72.Ji; 78.70.Dm; 78.30.Hv; 71.15.Mb; 64.75.+g; 82.65.+ren_US
dc.description.abstractThe physical and chemical properties of bulk Ce1–xTbxO2 and Ce1–xTbxOy nanoparticles (x<0.5) were investigated using synchrotron-based x-ray diffraction (XRD), x-ray adsorption near edge spectroscopy (XANES), Raman spectroscopy (RS), and first-principles density-functional (DF) calculations. DF results and Raman spectra point to a small tetragonal distortion after introducing terbium in ceria. The results of XRD show a small contraction ( <0.08 Å) in the cell dimensions. The presence of Tb generates strain in the lattice through the variation of the ionic radii and creation of crystal imperfections and O vacancies. The strain increases with the content of Tb and affects the chemical reactivity of the Ce1–xTbxOy nanoparticles towards hydrogen, SO2, and NO2. DF calculations for bulk Ce1–xTbxO2 and Ce8–nTbnO16 (n = 0, 1, 2, or 4) clusters show oxide systems that are not fully ionic. The theoretical results and XANES spectra indicate that neither a CeTb exchange nor the introduction of oxygen vacancies in Ce1–xTbxOy significantly affect the charge on the Ce cations. In contrast, the O K-edge and Tb LIII-edge XANES spectra for Ce1–xTbxOy nanoparticles show substantial changes with respect to the corresponding spectra of Ce and Tb single oxide references. The Ce0.5Tb0.5Oy compounds exhibit a much larger Tb3+/Tb4+ ratio than TbO1.7. A comparison with the properties of Ce1–xZrxOy and Ce1–xCaxOy shows important differences in the charge distribution, the magnitude of the dopant induced strain in the oxide lattice, and a superior behavior in the case of the Ce1–xTbxOy systems. The Tb-containing oxides combine stability at high temperature against phase segregation and a reasonable concentration of O vacancies, making them attractive for chemical and catalytic applications.en_US
dc.description.sponsorshipThe research carried out at the Chemistry Department of Brookhaven National Laboratory was financed through Contract No. DE-AC02-98CH10086 with the U.S. Department of Energy (Division of Chemical Sciences). The NSLS and APS are supported by the Divisions of Materials and Chemical Sciences of DOE. Work at the ‘‘Instituto de Catálisis (CSIC)’’ was done with financial support from CICYT (Contract No. MAT2000-1467).en_US
dc.format.extent524134 bytes-
dc.format.mimetypeapplication/pdf-
dc.language.isoengen_US
dc.publisherAmerican Institute of Physicsen_US
dc.rightsopenAccessen_US
dc.subjectNanoparticlesen_US
dc.subjectCrystal defectsen_US
dc.subjectVacancies (crystal)en_US
dc.subjectRaman spectraen_US
dc.subjectXANESen_US
dc.subjectX-ray diffractionen_US
dc.subjectDensity functional theoryen_US
dc.titleThe behavior of mixed-metal oxides: Physical and chemical properties of bulk Ce1–xTbxO2 and nanoparticles of Ce1–xTbxOyen_US
dc.typeartículoen_US
dc.identifier.doi10.1063/1.1781116-
dc.description.peerreviewedPeer revieweden_US
dc.relation.publisherversionhttp://dx.doi.org/10.1063/1.1781116en_US
dc.type.coarhttp://purl.org/coar/resource_type/c_6501es_ES
item.openairetypeartículo-
item.cerifentitytypePublications-
item.languageiso639-1en-
item.grantfulltextopen-
item.openairecristypehttp://purl.org/coar/resource_type/c_18cf-
item.fulltextWith Fulltext-
Aparece en las colecciones: (ICP) Artículos
Ficheros en este ítem:
Fichero Descripción Tamaño Formato
GetPDFServlet.pdf511,85 kBAdobe PDFVista previa
Visualizar/Abrir
Show simple item record

CORE Recommender

SCOPUSTM   
Citations

116
checked on 29-mar-2024

WEB OF SCIENCETM
Citations

113
checked on 24-feb-2024

Page view(s)

446
checked on 29-mar-2024

Download(s)

639
checked on 29-mar-2024

Google ScholarTM

Check

Altmetric

Altmetric


NOTA: Los ítems de Digital.CSIC están protegidos por copyright, con todos los derechos reservados, a menos que se indique lo contrario.