Prediction of TiO 2 nanoparticle phase and shape transitions controlled by surface chemistry

A. S. Barnard*, L. A. Curtiss

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

619 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)1261-1266
Number of pages6
JournalNano Letters
Volume5
Issue number7
DOIs
Publication statusPublished - Jul 2005
Externally publishedYes

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