Electronic and crystal structure analyses of boron doped LiFeO2 cathode material by the XAFS spectroscopy
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Tarih
2022
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Elsevier
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
The 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.
Açıklama
Anahtar Kelimeler
Electronic structure, Crystal structure, Li -ion battery, Oxides, XAS, XAFS
Kaynak
Materials Today Communications
WoS Q Değeri
Q2
Scopus Q Değeri
Q2
Cilt
31
