Thermodynamic analysis of phase stability of nanocrystalline titania

Hengzhong Zhang; Jillian F. Banfield

doi:10.1039/A802619J

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Journal of Materials Chemistry

Issue 9, 1998

Journal of Materials Chemistry was published between 1991 and 2012. From issue 1, 2013, it was replaced by three new journals: Journal of Materials Chemistry A, B and C

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Thermodynamic analysis of phase stability of nanocrystalline titania

Hengzhong Zhang and Jillian F. Banfield

J. Mater. Chem., 1998,8, 2073-2076

DOI: 10.1039/A802619J

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Abstract
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The phase stability of nanocrystalline anatase and rutile was analyzed thermodynamically. According to the present analysis, anatase becomes more stable than rutile when the particle size decreases belowca. 14 nm. The calculated phase boundary between nanocrystalline anatase and rutile coincides with the experimental data for appearance of rutile during coarsening of nanocrystalline anatase. Both surface free energy and surface stress play important roles in the thermodynamic phase stability, which is a function of particle size.

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Thermodynamic analysis of phase stability of nanocrystalline titania

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