Abstract:Effects of doping cadmium atoms on the electronic and optical properties of (n, 0) zigzag single-wall carbon nanotubes SWCNTs are investigated by density functional theory DFT, using ultrasoft pseudopotential generalized gradient approximation GGA approach. The electronic and optical properties of the zigzag SWCNTs are susceptible and dependent on the n index and diameter of the tube; these features have only in nanotubes. Adding any impurity to the Zigzag SWCNTs must be caused to change in properties. The den… Show more
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