4.6 Article

Hybridization of Fe-O in iron doped hydroxyapatite for superior electrochemical charge storage

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JOURNAL OF MOLECULAR STRUCTURE
卷 1291, 期 -, 页码 -

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ELSEVIER
DOI: 10.1016/j.molstruc.2023.135950

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Iron calcium phosphate; Supercapacitor; Surface area; Electronic; Atomic structure

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By doping metal ions, the weak electrical conductivity of hydroxyapatite (HAp) can be enhanced to improve its electrochemical charge storage. HAp and Fe-doped HAp were synthesized using a wet chemical method, resulting in a reduction in crystallite size to 9.56 nm. The 0.01FH sample, with a specific capacitance of 351.3 F/g at 30 mA/g, exhibited the highest performance. X-ray photoemission spectroscopy revealed Fe oxidation states of 2+ and 3+, while X-ray absorption indicated enhanced unoccupied density of states and reduced Fe-O interatomic distance in 0.01FH. These findings suggest that surface properties, Fe-O hybridization, and modifications in local atomic structures contribute to the high electrochemical charge storage in 0.01FH.
Hydroxyapatite (HAp) is an interesting phosphate candidate with a weak electrical conductivity that can be tuned by doping metal ions to enhance the active sites for electrochemical charge storage. HAp and Fe-doped HAp were prepared by a wet chemical method. On doping, the crystallite size reduces to 9.56 nm. The surface area of 0.01FH (0.01% Fe) is 152.17 m(2)/g which is similar to 3 times higher compared to PH. The 0.01FH sample shows the highest specific capacitance of 351.3 F/g at 30 mA/g. While X-ray photoemission spectroscopy shows the oxidation states of Fe in 2(+) and 3(+), X-ray absorption indicates (i) the enhancement of unoccupied density of states of Fe, and (ii) reduced interatomic distance of Fe-O in 0.01FH. These results show that the augmentation of surface properties and hybridization of Fe-O and the modification of its local atomic structures are responsible for high electrochemical charge storage in 0.01FH.

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