Predicting the energetics, phase stability, and morphology evolution of faceted and spherical anatase nanocrystals

被引：115

作者：

Barnard, AS

Zapol, P

机构：

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

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

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

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2004年 / 108卷 / 48期

关键词：

D O I：

10.1021/jp0472459

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：

Inconsistencies in experimental themiochemical analysis of the anatase to rutile phase transition have led to various studies in order to elucidate the physical and chemical parameters affecting the stability of TiO2 at the nanoscale. Using a thermodynamic model, we present predictions of the transition enthalpy of nanocrystalline anatase and rutile as a function of shape, size, and degree of surface passivation, showing that thermochemical results can differ for various faceted or spherical nanoparticles.

引用

页码：18435 / 18440

页数：6

共 53 条

[1] Preparation of nanocrystalline titania powder via aerosol pyrolysis of titanium tetrabutoxide [J].