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

作者：Li H; Jiang Z H; Jiang Q^*

来源：Chemical Physics Letters, 2008, 465(1-3): 78-81.

DOI：10.1016/j.cplett.2008.09.047

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.

• 出版日期2008-11-3
• 单位吉林大学