Prediction of TiO2 Nanoparticle Phase and Shape Transitions Controlled by Surface Chemistry
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- 3 June 2005
- journal article
- letter
- Published by American Chemical Society (ACS) in Nano Letters
- Vol. 5 (7), 1261-1266
- https://doi.org/10.1021/nl050355m
Abstract
The effects of surface chemistry on the morphology and phase stability of titanium dioxide nanoparticles have been investigated using a thermodynamic model based on surface free energies and surface tensions obtained from first principles calculations. It has been found that surfaces representing acidic and alkaline conditions have a significant influence on both the shape of the nanocrystals and the anatase-to-rutile transition size. The latter introduces the possibility of inducing phase transitions by changing the surface chemistry.Keywords
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