ABSTRACT: Metal oxide nanowires have desirable properties suited to nano-electronic and spintronic devices, but are significantly affected by intrinsic defects. In this research, the electronic effect of point defects in ZnO nanowires is explored using “Density Functional Theory (DFT”) and experimental characterization. Nanowires were prepared through mechanical milling, and the defects, like oxygen vacancies and interstitials, were characterized with Raman, XPS, and EPR methods. DFT calculations revealed bandgap reduction from 3.30 eV (pristine) to 2.36 eV (defective) with mid-gap states that are localized at the....
Keywords: Metal oxide nanowires, DFT, Electronic, XPS
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