Theoretical prediction of Al(OH)3 nanotubes and their properties

被引:10
作者
Enyashin, A. N. [1 ]
Ivanovskii, A. L. [1 ]
机构
[1] Russian Acad Sci, Ural Branch, Inst Solid State Chem, Ekaterinburg 620041, Russia
关键词
Layered aluminum hydroxide Al(OH)(3); Nanotubes; Structural; Cohesive; Electronic properties; Density functional theory;
D O I
10.1016/j.physe.2008.07.021
中图分类号
TB3 [工程材料学];
学科分类号
0805 [材料科学与工程]; 080502 [材料学];
摘要
The atomistic models for layered aluminum hydroxide-based nanotubes are proposed and their structural, cohesive and electronic properties are predicted by means of the density functional theory depending on the Al(OH)(3) tubes radii and chirality. (C) 2008 Elsevier B.V. All rights reserved.
引用
收藏
页码:320 / 323
页数:4
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