Hz. Zhang et Jf. Banfield, THERMODYNAMIC ANALYSIS OF PHASE-STABILITY OF NANOCRYSTALLINE TITANIA, Journal of materials chemistry (Print), 8(9), 1998, pp. 2073-2076
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 st
ability, which is a function of particle size.