This tool version is unpublished and cannot be run. If you would like to have this version staged, you can put a request through HUB Support.
CNTbands v2.0 can simulate electronic band structure and density-of-states for carbon nanotubes (CNTs) and carbon nanoribbons (CNRs). It also computes some basic parameters, such as nanotube diameter, number of hexagons in the unit cell, band gap, etc.
Users may select the CNR structure to be simulated by selecting a starting point and components for a chiral vector.
CNTs are simulated either with a simple Pz orbital model or Extended Huckel theory. The Extended Huckel model can deliver more accurate simulation results, especially for small-diameter CNTs.