Search

Article

x

留言板

尊敬的读者、作者、审稿人, 关于本刊的投稿、审稿、编辑和出版的任何问题, 您可以本页添加留言。我们将尽快给您答复。谢谢您的支持!

姓名
邮箱
手机号码
标题
留言内容
验证码

Mechanical and electronic properties of TiO2 nanotubes

Lin Feng Li Zuan-Yi Wang Shan-Ying

Mechanical and electronic properties of TiO2 nanotubes

Lin Feng, Li Zuan-Yi, Wang Shan-Ying
PDF
Get Citation
Metrics
  • Abstract views:  3166
  • PDF Downloads:  1702
  • Cited By: 0
Publishing process
  • Received Date:  05 April 2009
  • Accepted Date:  28 April 2009
  • Published Online:  20 December 2009

Mechanical and electronic properties of TiO2 nanotubes

  • 1. 清华大学物理系,北京 100084

Abstract: The structure, stability, Youngs modulus and electronic band structures of lepidocrocite-type and anatase-type TiO2 nanotubes were investigated using density functional theory calculation. It was found that the anatase-type nanotubes were energetically more favorable than lepidocrocite-type nanotubes when the diameter of nanotube is small, whereas the lepidocrocite-type nanotubes were energetically more favorable when the diameter of nanotube was large. Youngs modulus of TiO2 nanotubes is calculated. The results obtained show that all TiO2 nanotubes have relatively good mechanical properties, and lepidocrocite nanotubes are stronger than anatase nanotubes. Interestingly, it was found that the electronic band structures of TiO2 nanotubes are influenced by the tubular chirality. Lepidocrocite (0, n) and anatase (n, 0) nanotubes are of indirect band gap type, whereas lepidocroctie (n, 0) and anatase (0, n) nanotubes have direct band gaps.

Catalog

    /

    返回文章
    返回