We have applied the many-body ab initio diffusion quantum Monte Carlo (DMC) method to study Zn and ZnO crystals under pressure and the energetics of the oxygen vacancy, zinc interstitial, and hydrogen impurities in ZnO. We show that DMC is an accurate and practical method that can be used to characterize multiple properties of materials that are challenging for density functional theory (DFT) a...

Nanocomposite of ZrO2/ZnO was prepared under ultrasonic irradiation by sol gel process from directly mixing Zirconium and Zinc gels. The mixture was placed under ultrasonic irradiation for 2 hours. After the aging time and filtration of the reaction mixture, the filtrated composite gel was calcinated at 500 °C for 3h in furnace. The precursor gels of zirconium and zinc were prepared ...

We report the melting behaviours of ZnO nanowire by heating ZnO-Al(2)O(3) core-shell heterostructures to form Al(2)O(3) nanotubes in an in situ ultrahigh vacuum transmission electron microscope (UHV-TEM). When the ZnO-Al(2)O(3) core-shell nanowire heterostructures were annealed at 600 °C under electron irradiation, the amorphous Al(2)O(3) shell became single crystalline and then the ZnO core me...

Unmodified and gold-modified semiconductor oxides were used for the complete decolorization of non-buffered aqueous safranin O solutions. Photocatalytic properties of commercially available ZnO and TiO2 (anatase nanopowder) were compared with those of gold-modified ZnO (Au/ZnO). Au/ZnO was obtained from commercial ZnO powder through direct current sputter coating. ZnO-ba...

ZnO nano-particles have been synthesized by simple chemical route using a starting solution consisting of zinc acetate and citric acid as a surfactant agent. The structural properties of the prepared ZnO nano-particles annealed at different temperatures have been characterized by X-ray diffraction (XRD) and transmission electron microscopy (TEM) analyses. The XRD patterns show ZnO-wurtize phase...

Nanocomposite of ZrO2/ZnO was prepared under ultrasonic irradiation by sol gel process from directly mixing Zirconium and Zinc gels. The mixture was placed under ultrasonic irradiation for 2 hours. After the aging time and filtration of the reaction mixture, the filtrated composite gel was calcinated at 500 °C for 3h in furnace. The precursor gels of zirconium and zinc were prepared ...

We systematically investigated the effects of Al-impurity type on the formation energy, crystal structure, charge density, electronic structure, and optical properties of ZnO by using density functional theory and the Hubbard-U method. Al-related defects, such as those caused by the substitution of Zn and O atoms by Al atoms (Als(Zn) and Als(O), respectively) and the presence of an interstitial...

Large-scale synthesis and release of nanomaterials in environment is a growing concern for human health and ecosystem. Therefore, we have investigated the cytotoxic and genotoxic potential of zinc oxide nanoparticles (ZnO-NPs), zinc oxide bulk (ZnO-Bulk), and zinc ions (Zn2+) in treated roots of Allium cepa, under hydroponic conditions. ZnO-NPs were characterized by UV-visible, XRD, FT-IR spect...

Metal oxide charge transport layers are widely used to promote the interfacial charge transport of organic optoelectronics. Nevertheless, frequently used wide-bandgap metal oxides with low electrical conductivities reveal inherent limitations in the charge transport enhancement. We present the remarkable electro-conductivity enhancement of solution processable ZnO charge transport layers upon d...

In this work, we highlighted the effect of surface modifications of one-dimensional (1D) ZnO nanostructures (NSs) grown by the vapor-solid mechanism on their antibacterial activity. Two sets of ZnO NSs were modified separately - one set was modified by annealing in an Ar environment, and the second set was modified in O2 plasma. Annealing in Ar below 800°C resulted in a compressed lattice, whic...