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dc.creatorMilović, Miloš
dc.creatorJugović, Dragana
dc.creatorCvjetićanin, Nikola
dc.creatorUskoković, Dragan
dc.creatorMilošević, Aleksandar S.
dc.creatorPopović, Zoran S.
dc.creatorVukajlović, Filip R.
dc.date.accessioned2017-06-10T15:45:07Z
dc.date.issued2013
dc.identifier.issn0378-7753
dc.identifier.urihttp://dais.sanu.ac.rs/123456789/369
dc.description.abstractThis work presents the synthesis of F-doped LiFePO4/C composite by the specific modification of the recently suggested synthesis procedure based on an aqueous precipitation of precursor material in molten stearic acid, followed by a high temperature treatment. Besides the lattice parameters and the primitive cell volume reductions, compared to the undoped sample synthesized under the same conditions, the Rietveld refinement also shows that fluorine ions preferably occupy specific oxygen sites. Particularly, the best refinement is accomplished when fluorine ions occupy O(2) sites exclusively. By means of up-to-date electronic structure and total energy calculations this experimental finding is theoretically confirmed. Such fluorine doping also produces closing of the gap in the electronic structure and consequently better conductivity properties of the doped compound. In addition, the morphological and electrochemical performances of the synthesized powder are fully characterized.en
dc.format241 (2013) 70-79
dc.languageen
dc.publisherElsevier
dc.relationinfo:eu-repo/grantAgreement/MESTD/Integrated and Interdisciplinary Research (IIR or III)/45004/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/Integrated and Interdisciplinary Research (IIR or III)/45014/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/171033/RS//
dc.rightsrestrictedAccess
dc.sourceJournal of Power Sourcesen
dc.subjectlithium iron phosphate
dc.subjectLiFePO4
dc.subjectRietveld analysis
dc.subjectfluorine doping
dc.subjectcathode
dc.subjectelectronic band structure
dc.titleCrystal structure analysis and first principle investigation of F doping in LiFePO4en
dc.typearticle
dc.rights.licenseARR
dcterms.abstractВукајловић, Филип; Поповић, Зоран С.; Милошевић, Aлександар С.; Ускоковић, Драган; Цвјетићанин, Никола; Југовић, Драгана; Миловић, Милош;
dc.citation.spage70
dc.citation.epage79
dc.citation.volume241
dc.identifier.wos000323093700009
dc.identifier.doi10.1016/j.jpowsour.2013.04.109
dc.identifier.scopus2-s2.0-8487793137
dc.type.versionpublishedVersion
dc.identifier.fulltexthttp://dais.sanu.ac.rs/bitstream/handle/123456789/369/paper630-366.pdf


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