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Ab Initio Density Functional Theory Investigation of Structural and Electronic Properties of Double-Wall Zinc Oxide Nanotubes
Dr. Sh. Valedbagi, A. Fatehalian, S. M. Elahi
Volume 12 Issue 6
Global Journal of Science Frontier Researc
Volume 12 Issue 6
Global Journal of Science Frontier Researc
The electronic properties of double-wall zinc oxide nanotubes (DWZnONTs) are investigated via density functional theory. The DWZnONTs are separated into two categories¸ where the inner and outer nanotubes are armchair-armchairand zigzag-zigzag single-wall nanotubes. The band structure of the DWZnONTs is calculated. Our results show that the interwall coupling diminishes the energy gap in semiconducting nanotube. We found that the energy gap of DWZnONTs depends on the structure of the inner and outer walls.
