Size-dependent structural stability of ZnO nanowires and single-walled nanotubes

被引：7

作者：

Li, H. ^{[1
]}

Jiang, Z. H. ^{[1
]}

Jiang, Q. ^{[1
]}

机构：

[1] Jilin Univ, Dept Mat Sci & Engn, Key Lab Automobile Mat, Minist Educ, Changchun 130022, Peoples R China

来源：

CHEMICAL PHYSICS LETTERS | 2008年 / 465卷 / 1-3期

关键词：

D O I：

10.1016/j.cplett.2008.09.047

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：

The size-dependent cohesive energy of one-dimensional nanowires and single-walled nanotubes of ZnO [E-c(n)] is established based on considerations on surface bond deficit and curvature effects where n denotes atom number per periodic unit consisting of two ZnO layers. It is found that at n similar to 48, both the structures have the same E-c(n) value, which is a critical value for the size-dependent structural stability of the two structures. The model predictions are well in agreement with the first-principle calculation results. (c) 2008 Elsevier B.V. All rights reserved.

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页码：78 / 81

页数：4

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