Prediction of TiO2 nanoparticle phase and shape transitions controlled by surface chemistry

被引：588

作者：

Barnard, AS

Curtiss, LA

机构：

[1] Argonne Natl Lab, Ctr Nanoscale Mat, Argonne, IL 60439 USA

[2] Argonne Natl Lab, Div Mat Sci, Argonne, IL 60439 USA

[3] Argonne Natl Lab, Div Chem, Argonne, IL 60439 USA

来源：

NANO LETTERS | 2005年 / 5卷 / 07期

关键词：

D O I：

10.1021/nl050355m

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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-torutile transition size. The latter introduces the possibility of inducing phase transitions by changing the surface chemistry.

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页码：1261 / 1266

页数：6

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