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Citation: XU Can, CAO Juan, ZHU Li-Fang, GAO Chen-Yang. Stability and Size Effect of Silica Nanotube[J]. Acta Physico-Chimica Sinica, ;2006, 22(04): 451-455. doi: 10.1016/S1872-1508(06)60016-8 shu

Stability and Size Effect of Silica Nanotube

1.
School of Physical Science and Technology, Lanzhou University, Lanzhou 730000, P. R. China; Key Laboratory for Magnetism and Magnetic Materials of MOE, Lanzhou University, Lanzhou 730000, P. R. China

Received Date: 9 September 2005
Available Online: 10 April 2006

The structure and infrared vibration of silica nanotubes with anhydrous structure(SiO2-NTs) and hydrogen-capped structure (SiO2-WNTs) have been investigated using the density-functional theory (DFT). It was found that the average binding energies were almost the same for SiO2-WNTs having same layer numbers or length. SiO2-WNTs are energetically more favorable than the SiO2-NTs and two-membered ring (2MR) molecular chains structure. IR spectrum of 4MR-WNTs was in well accord with the experimental data and the vibrations of oxygen atoms with directions parallel and normal to the axis of nanotubes show a strong size effect. The SiO2-WNTs would be considered as an appropriate structure model for one-dimensional silica nanotube.
- Nanotube;Size effect;IR vibration;Stability
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