https://www.selleckchem.com/pr....oducts/mk-8353-sch90
The physicochemical properties of TiO2 are largely dependent on the defects. Here, using first-principles calculations, we report a systematic investigation of the magnetic properties of Ti-defected rutile TiO2 systems. The results of our calculations show that the VTi concentration can significantly affect the size of the magnetism, and that the magnetism weakens with decreasing VTi concentration. Studies of phonon dispersion curves show that systems with lower VTi concentrations of 8.33% and 6.25% are kinetically stable. Fur
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