Titanium oxide fullerenes: electronic structure and basic trends in their stability

被引：7
|
作者：
Enyashin, Andrey N. [1 ]
Seifert, Gotthard [1 ]
机构：
[1] Tech Univ Dresden, D-01062 Dresden, Germany
来源：
PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2007年 / 9卷 / 43期
关键词：
D O I：
10.1039/b712094j
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：
Stability as a function of size and electronic structure of titania fullerenes, as an example of inorganic fullerenes with octahedral coordination of metal atoms, is studied with the quantum-mechanical DFTB method.
引用
收藏
页码：5772 / 5775
页数：4
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