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Spinel oxides, AB2O4, have been identified as potential photocatalysts for the water splitting process. Their formula can be written as (A1-xBx)[B2-xAx]O4 where () and [] represent the atoms occupying tetrahedral and octahedral sites, respectively. x is the degree of inversion (0 ≤ x ≤ 1), which can affect properties of spinels. A combination of density functional theory (DFT) calculations and experimental x-ray photoelectron spectroscopy (XPS) have been used to study CoFe2O4 and ZnFe2O4 samples. The core level calculations complemented the analysis of the XPS of the transition metals to understand the degree of inversion and possible oxidation state changes.
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Charlotte Hall, Pilar Ferrer, David Grinter, Ricardo Grau-Crespo, Georg Held, Maria Retuerto, Juan Rubio-Zuazo, "An experimental and theoretical study of spinel ferrites, MFe2O4 (M = Co, Zn), by X-ray photoelectron spectroscopy," Proc. SPIE 12337, Photoemission Spectroscopy for Materials Analysis II, 1233707 (11 January 2023); https://doi.org/10.1117/12.2647610