Thermodynamic analysis of phase stability of nanocrystalline titania

被引:1139
作者
Zhang, HZ [1 ]
Banfield, JF [1 ]
机构
[1] Univ Wisconsin, Dept Geol & Geophys, Madison, WI 53706 USA
关键词
D O I
10.1039/a802619j
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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.
引用
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页码:2073 / 2076
页数:4
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