The structural and electronic properties of (10,0) zigzag Single-Wall Carbon Nanotubes modified by thiophene groups

- The calculations were carried out through DFT without assuming any boundaries for the CNT.
- Two varietal configurations of (10,0) SWCNT have been investigated.
- Adsorption of thiophene onto the surface of (10,0) CNT, grants it a metallic property.
- The concentration and configuration of thiophene/CNT is effective on its electronic properties.