Thermodynamic analysis of phase stability of nanocrystalline titania

Hengzhong Zhang, Jillian F. Banfield

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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 below ca. 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.

Original languageEnglish
Pages (from-to)2073-2076
Number of pages4
JournalJournal of Materials Chemistry
Issue number9
Publication statusPublished - Sept 1998
Externally publishedYes

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