Kinetics study on phase transformation from titania polymorph brookite to rutile

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• 作者：Jason Huberty ; Huifang Xu
• 关键词：Phase transition kinetics ; XRD ; Brookite ; Rutile ; Oxide semiconductor ; Niobium doping ; Rietveld analysis
• 刊名：Journal of Solid State Chemistry
• 出版年：2008
• 期刊代码：130_00224596
• 类别：ch
• 出版时间：March 2008
• 卷：181
• 期：3
• 页码：508-514
• 文件大小：945 K

摘要

TiO₂ is a polymorphic material of great scientific interest due to its semiconductor properties and uses in heterogeneous photocatalysis. Understanding the stability of the polymorphs is important for designing TiO₂-based photocatalysts and solar cells. Although the phase transformation of anatase→rutile has been well studied, there is only one published work on brookite→rutile to date. The brookite→rutile transformation has been studied in this work using natural material from the Magnet Cove igneous complex mechanically processed to several micrometers in size. The pure phase brookite is annealed from 800 to 900 °C without detection of the anatase polymorph. The transformation kinetics are described by both the standard first-order model, with an activation energy of E_a=411.91 kJ/mol, and the Johnson–Mehl–Avrami–Kolmogorov (JMAK) model, with an activation energy of E_a=492.13 kJ/mol. The rate parameter of the first-order model for the phase transformation is expressed as k=6.85×10¹⁴ exp(−49,451/T) s⁻¹ for the first-order model and k=4.19×10¹⁸ exp(−59,189/T) s⁻¹ using the JMAK model. The obtained activation energy is higher than that of brookite nano-crystals. Our results show that the JMAK model fits the kinetics data better than other models.