Abstract:
The article provides the results of theoretical estimation of the influence of small concentrations of atoms $\mathrm{Li}$, $\mathrm{Na}$, $\mathrm{S}$ and $\mathrm{Se}$ ($\sim 1$ at. %) on the electrical resistance of carbon nanotube with metal type of conductivity. The calculated dependences of the resistance on potential difference demonstrate insignificant change in resistance of the nanotube at interaction with atoms of alkaline metal. While introducing chalcogens in a nanotube cavity its resistance is increased by the size, which is hardly ever depending on voltage, while adsorption on an external surface leads to a sensible increase of resistance, which increases with increasing potential difference.
Keywords:carbon nanotubes, electrical resistance, density functional theory, method of nonequilibrium Green's function.
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