Modeling of the atomic structure and thermal stability of titanium monoxide nanocrystals

被引：0
|
作者：
A. N. Enyashin
A. L. Ivanovskii
机构：
[1] Russian Academy of Sciences,Institute of Solid State Chemistry, Ural Division
来源：
Russian Journal of Inorganic Chemistry | 2006年 / 51卷
关键词：
Thermal Relaxation; Niobium Carbide; Titanium Monoxide; Cylindrical Cross Section; Polygonal Cross Section;
D O I：
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中图分类号：
学科分类号：
摘要：
The morphology, energy stability, and thermal behavior of the family of hypothetical extended nanocrystals (NCs) of titanium monoxide TiO are studied using the pair potential model. The increasing number of the walls enhances the stability of hollow TiO crystals having prismatic morphology. However, molecular-dynamic simulation shows that the regular structure of the NCs degrades even under the ambient conditions (300 K); most likely, extended nanostructures with the titanium monoxide stoichiometry (Ti/O = 1) will be manufactured in the form of amorphous nanofibers.
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页码：1302 / 1306
页数：4
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