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.
机构:
Univ Calif Davis, Peter A Rock Thermochem Lab, Davis, CA 95616 USA
Univ Calif Davis, NEAT ORU, Davis, CA 95616 USAUniv Calif Davis, Peter A Rock Thermochem Lab, Davis, CA 95616 USA