The Electronic Transport Properties of CuO and Zn Doped CuO Nanotubes

Abstract

The electronic transport properties of cupric oxide (CuO) armchair and Zinc (Zn) doped CuO armchair nanotubes were studied using density functional theory (DFT) based on non‐equilibrium Greens function method (NEGF). In addition, the adsorption effect of ammonia (NH3) molecules of undoped and Zn doped CuO nanotubes were also studied. The electronic transport properties were studied in terms of density of states (DOS) and transmission spectra of the respective structures. From the obtained results, Zn doped CuO showed enhanced transport properties than the undoped CuO nanotubes due to the ‘d’ orbital overlapping. Similarly, the NH3 adsorption on the Zn doped CuO has enhanced the current flow through the device and confirms the adsorption process.