By completing the CNTBands, users will be able to a) understand the relationship between system geometry (the roll vector of a nanotube or crystallographic direction of a nano-ribbon) and its band structure and b) the importance of employing screw symmetry in calculations of electronic...

Challenge
It is important to have a quantitative model describing how the interaction of a CNT with its environment (e.g. supporting substrate, other nanotubes, polymer matrix, etc.) influences its ability to conduct current. One possible mathematical formulation of this physical problem can...

Tight-binding modeling of the current in zigzag-edge graphene nano-ribbons indicates that 120-degrees turns of the ribbon have virtually no effect on the ballistic transmission within single-band conduction window. At the same time 60-degrees turns are highly reflective. Figures below...

So far all experimentally observed graphene nano-ribbons (GNRs) exhibited semiconducting behavior. However, simple combination of nearest-neighbor pi-orbital tight-binding and Hubbard models suggests that the nature of the band gaps in GNRs is different. In particular zigzag-edge GNRs (Z-GNRs)...

According to experimental data the band gap of semiconducting nanotube is inversely proportional to its radius. The simple analytical model also explained in solution for homework Problem 3 indicates that the prefactor V in this dependence is the absolute value of the nearest neighbor...