Phase-transition kinetics of calcium-doped TiO2: A high-temperature XRD study

Controlling titanium dioxide crystallinity is crucial in view of the possible oxide applications. In this study, we examined the effects of calcium doping on the anatase-rutile phase transition via in-situ high-temperature X-ray diffraction. The phase transition temperature of calcium-doped TiO2 was approximately 900 °C, specifically 900 °C, 875 °C, and 900 °C for the 2%, 4%, and 6% calcium-doped TiO2, respectively. The larger radius of the calcium ion compared to that of the titanium ion hindered the calcium incorporation into the TiO2 lattice. Moreover, the hampered titanium-oxygen bond rotation during the phase transition led to an increase in the phase-transformation temperature. Furthermore, at higher calcium concentrations, the corresponding activation energies increased first and then decreased. This may have been controlled by the decreasing nucleation rate during the reaction.