2017
DOI: 10.1021/acs.jpcc.6b12892
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Fifty–Fifty Zr–Ti Solid Solution with a TiO2-Type Structure: Electronic Structure and Photochemical Properties of Zirconium Titanate ZrTiO4

Abstract: Polycrystalline zirconium titanate, ZrTiO4, has been prepared via sol–gel chemistry and its properties both as a semiconducting oxide and as a photoactive system have been investigated by experimental and computational techniques. The oxide exhibits a structure analogous to those of the main TiO2 polymorphs with a slightly higher band gap of 3.65 eV. Theoretical results explain this small difference in terms of composition of the lower part of the conduction band, which is based on Ti 3d orbitals. Interestingl… Show more

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Cited by 37 publications
(22 citation statements)
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“…The amount of complementary phases is directly related to the zircon addition, as expected. The small discrepancies with the stoichiometric results can be explained by the uncertainty of the quantification methodology and the possible existence of solid solution, especially in the ZT phase [46][47][48] and mullite [29]. In fact, the ZT cell parameters vary within the three studied materials.…”
Section: Xrd-rietveldmentioning
confidence: 86%
“…The amount of complementary phases is directly related to the zircon addition, as expected. The small discrepancies with the stoichiometric results can be explained by the uncertainty of the quantification methodology and the possible existence of solid solution, especially in the ZT phase [46][47][48] and mullite [29]. In fact, the ZT cell parameters vary within the three studied materials.…”
Section: Xrd-rietveldmentioning
confidence: 86%
“…It is in fact possible, for instance, to observe distinct gzz components when superoxide is adsorbed on different cationic sites at the surface of complex oxides. For example, investigations of TiO2/ZrO2 mixed systems of various compositions have clearly evidenced the formation of two fractions of surface adsorbed O2ions on Zr 4+ (gzz = 2.030) and Ti 4+ (gzz = 2.022) respectively [55]. The sensitivity of the method is however even higher since it is possible, in some cases, to distinguish adsorption sites of the same nature but located in distinct one, thus enabling the authors to assert the magnetic equivalence of the two nuclei.…”
Section: Ionic Bonding In Adsorbed Superoxide -Epr Features and Magnetic Tensorsmentioning
confidence: 99%
“…In this sense, EPR can be considered as an analytical technique that can be used to perform a pre-screening of material photoactivity. 71,72 In addition, it is increasingly used to obtain supporting analysis to determine the working mechanism upon light absorption of complex materials or heterojunctions, [73][74][75] in such a way as to achieve the correct electronic transfer at the interface, as will be presented in the following.…”
Section: Epr Spectroscopic Study Upon Exposure To Irradiationmentioning
confidence: 99%