Abstract
The geometric and electronic properties of the double-walled nanotubes (DWNTs), constructed by the two coaxial single-walled nanotubes (SWNTs) rolling the hexagonal titanium dioxide (TiO2) nanosheet along with the armchair (ac-) and the zigzag (zz-) directions, have been investigated systematically using the methods based on the density functional theory. For the optimized structures, the bandgap values of the TiO2 DWNTs are significantly reduced from that of the constituent SWNTs, falling in the visible light range. Further detailed analysis reveals that the reduction is caused by the band misalignment due to the different curvatures of the inner and outer TiO2 SWNTs.
Sign-in/Register to access full text options 
Free) 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call
