Electronic and crystal structure analyses of boron doped LiFeO2 cathode material by the XAFS spectroscopy

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dc.authoridGunaydin, Selen/0000-0002-5027-1242
dc.contributor.authorGunaydin, Selen
dc.contributor.authorHarfouche, Messaoud
dc.contributor.authorOzkendir, O. Murat
dc.date.accessioned2025-03-17T12:26:03Z
dc.date.available2025-03-17T12:26:03Z
dc.date.issued2022
dc.departmentTarsus Üniversitesi
dc.description.abstractThe influence of boron substitution in LiFeO2 (LFO) material on crystal and electronic structure properties has been investigated by x-ray absorption fine structure (XAFS) spectroscopy with the general formula LiFe1_xBxO2 where x has values of 0.00, 0.05, and 0.10. The study revealed that boron has a key role in oxide materials due to its high effect on the oxygen regions and provides better performance values by reducing the excess oxygen in the material. The electronic structure properties were investigated by x-ray absorption near-edge spectroscopy (XANES). In this study, a new analysis method has also been applied for crystal properties determination like the Rietveld method for the first time and named Inverse EXAFS Fitting . For the crystal structure study, extended XAFS (EXAFS) analyses were processed in reverse mode to determine the crystal lattice properties as an alter-native way to the x-ray diffraction pattern (XRD) study and also to find out the atomic distances from the source Fe atoms. Due to the smaller ionic radii of B3+ cations than the Fe3+ cations, EXAFS data analysis has revealed that boron atoms did not sit in iron coordination, but formed the LiBO2 crystals and caused minor perturbations around iron atoms by loosening the Fe-O bonds.
dc.description.sponsorshipTarsus University [ENSTITU.20.001, YOK 100/2000, TUBITAK 2211-C]
dc.description.sponsorshipThe authors declare that they have no conflict of interest. This study is supported by ENSTITU.20.001 project of Tarsus University. Also, the study contains pieces of data from the Ph.D. thesis of Ms. Gunaydin who is granted by YOK 100/2000 and TUBITAK 2211-C scholarship.
dc.identifier.doi10.1016/j.mtcomm.2022.103571
dc.identifier.issn2352-4928
dc.identifier.scopus2-s2.0-85130880059
dc.identifier.scopusqualityQ2
dc.identifier.urihttps://doi.org/10.1016/j.mtcomm.2022.103571
dc.identifier.urihttps://hdl.handle.net/20.500.13099/2004
dc.identifier.volume31
dc.identifier.wosWOS:000797676300003
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofMaterials Today Communications
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250316
dc.subjectElectronic structure
dc.subjectCrystal structure
dc.subjectLi -ion battery
dc.subjectOxides
dc.subjectXAS
dc.subjectXAFS
dc.titleElectronic and crystal structure analyses of boron doped LiFeO2 cathode material by the XAFS spectroscopy
dc.typeArticle

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