The critical size mechanism for the anatase to rutile transformation in TiO2 and doped-TiO2

A series of titania and doped titania materials were prepared from sol-gel methods using a titanium isopropoxide precursor. Powder XRD and SEM were used to follow the anatase to rutile transformation (ART) phase change. Powder XRD was used to estimate the relative amounts of each phase and the average particle size at a series of temperatures. Doping with Si, Zr, Al and tertiary mixtures of these produced an elevated ART temperature whilst Co, Mn and V had the opposite effect. The most likely explanation for the elevation in the ART temperature is the presence of dopant strain fields, which limit mass transport in the system. Lowering of the ART temperature is probably related to creation of defect sites, which provide low energy mass transport routes. In the majority of samples, the mechanism for phase change was related to attaining a critical particle size. This was measured at around 450 Angstrom, independent of the dopant used. Results are discussed in terms of previous work. 26 refs.