You are in the accessibility menu

Please use this identifier to cite or link to this item: http://acervodigital.unesp.br/handle/11449/111747
Full metadata record
DC FieldValueLanguage
dc.contributor.authorSilva, Luis F. da-
dc.contributor.authorM'Peko, Jean-Claude-
dc.contributor.authorAndres, Juan-
dc.contributor.authorBeltran, Armando-
dc.contributor.authorGracia, Lourdes-
dc.contributor.authorBernardi, Maria I. B.-
dc.contributor.authorMesquita, Alexandre-
dc.contributor.authorAntonelli, Eduardo-
dc.contributor.authorMoreira, Mario L.-
dc.contributor.authorMastelaro, Valmor R.-
dc.date.accessioned2014-12-03T13:08:57Z-
dc.date.accessioned2016-10-25T20:09:38Z-
dc.date.available2014-12-03T13:08:57Z-
dc.date.available2016-10-25T20:09:38Z-
dc.date.issued2014-03-06-
dc.identifierhttp://dx.doi.org/10.1021/jp408839q-
dc.identifier.citationJournal Of Physical Chemistry C. Washington: Amer Chemical Soc, v. 118, n. 9, p. 4930-4940, 2014.-
dc.identifier.issn1932-7447-
dc.identifier.urihttp://hdl.handle.net/11449/111747-
dc.identifier.urihttp://acervodigital.unesp.br/handle/11449/111747-
dc.description.abstractThis paper reports an experimental and theoretical investigation of the effects of adding Fe to the perovskite strontium titanate SrTiO3. The effects include changes in the short-order range structure as well as in the electronic and electrical properties. X-ray diffraction analysis reveals that the SrTi1-xFexO3 network shrinks with increasing Fe content, while X-ray absorption spectroscopy measurements of the Ti and Fe K-edge revealed the presence of some under-coordinated TiO5 units created because of the partial replacement of Fe3+ ions in the Ti4+. site. UV-visible absorption spectra indicated a reduction in optical gap with increasing Fe content. The electronic structure and spin densities of STFO with x = 0, 0.0625, 0.125, 0.5, and 1 are calculated by the OFT method at the B3LYP computational level, showing a Jahn-Teller distortion of O atoms surrounding the Fe as well as the formation of under-coordinated TiO5 units. From the electrical viewpoint, the results show that STFO is a mixed (ionic and electronic) conductor and that the electronic contribution becomes dominant with increasing Fe content.en
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)-
dc.description.sponsorshipFundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)-
dc.description.sponsorshipGeneralitat Valenciana-
dc.description.sponsorshipMinisterio de Ciencia e Innovacion-
dc.description.sponsorshipPrograma de Cooperacion Cientifica con Iberoamerica (Brazil)-
dc.description.sponsorshipMinisterio de Educacion-
dc.format.extent4930-4940-
dc.language.isoeng-
dc.publisherAmer Chemical Soc-
dc.sourceWeb of Science-
dc.titleInsight into the Effects of Fe Addition on the Local Structure and Electronic Properties of SrTiO3en
dc.typeoutro-
dc.contributor.institutionUniversidade de São Paulo (USP)-
dc.contributor.institutionUniv Jaume 1-
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)-
dc.contributor.institutionUniversidade Federal de São Paulo (UNIFESP)-
dc.contributor.institutionUniversidade Federal de Pelotas (UFPEL)-
dc.description.affiliationUniv Sao Paulo, Inst Fis Sao Carlos, BR-13560970 Sao Paulo, Brazil-
dc.description.affiliationUniv Jaume 1, Dept Quim Fis & Analit, E-12080 Castellon de La Plana, Spain-
dc.description.affiliationUniv Estadual Paulista, UNESP, BR-15054000 Sao Paulo, Brazil-
dc.description.affiliationUniv Fed Sao Paulo, UNIFESP, BR-12231280 Sao Paulo, Brazil-
dc.description.affiliationUniv Fed Pelotas, BR-96160000 Pelotas, RS, Brazil-
dc.description.affiliationUnespUniv Estadual Paulista, UNESP, BR-15054000 Sao Paulo, Brazil-
dc.description.sponsorshipIdCNPq: 70/2008-
dc.description.sponsorshipIdCNPq: 150753/2013-6-
dc.description.sponsorshipIdFAPESP: 13/09573-3-
dc.description.sponsorshipIdGeneralitat ValencianaPrometeo/2009/053-
dc.description.sponsorshipIdMinisterio de Ciencia e InnovacionCTQ2009-14541-C02-
dc.description.sponsorshipIdMinisterio de EducacionPHB2009-0065-PC-
dc.identifier.doi10.1021/jp408839q-
dc.identifier.wosWOS:000332756000040-
dc.rights.accessRightsAcesso restrito-
dc.relation.ispartofJournal of Physical Chemistry C-
Appears in Collections:Artigos, TCCs, Teses e Dissertações da Unesp

There are no files associated with this item.
 

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.