We propose a powerful scheme to accurately determine the formation energy and thermodynamic charge transition levels of point defects in nonmetals. Previously unknown correlations between defect properties and the valence-band width of the defect-free host material are identified allowing for a determination of the former via an accurate knowledge of the latter. These correlations are identifie...

In this study, microelectro-discharge (micro-ED) milling of nonconductive ZrO2ceramicsis investigated using a Cu tool electrode in kerosene dielectric. An adhesive Cu foil is firmly attached on the workpiece to initiate the sparks. After the machining of Cu foil, an electrically conductive carbonic layer is formed on the ceramic workpiece disassociating the kerosene dielectric, which allows mic...

Vertically aligned, high-density ZnO nanowires (NWs) were grown for the first time on c-plane sapphire using binary alloys of Ni/Au or Cu/Au as the catalyst. The growth was performed under argon gas flow and involved the vapor-liquid-solid (VLS) growth process.We have investigated various ratios of catalyst components for the NWs growth and results indicate that very thin adhesion layers of Ni ...

Thermocatalytic CO2 hydrogenation to methanol is an attractive defossilization technology combat climate change while producing a valuable platform chemical and energy carrier. However, predicting the performance of catalytic systems for this process remains challenge. Herein, we present machine learning framework predict catalyst from experimental descriptors. A database Cu-, Pd-, In2O3-, ZnO-...

High doses of ZnO are used to treat diarrhea in weaning pigs but are also an environmental concern. The mechanism of action of Zn against diarrhea is still not well understood. The amount of solubilized Zn, the relation of Zn with Fe and Cu, and the concentration of these elements in the gastrointestinal tract (GIT) are key data to understanding its mechanism of action and optimize its use. The...

ZrO2·nH2O (hydrogel) impregnated with transition metals (Cu, Co, and Ni) was studied in this work as a precursor for the synthesis of CuO/ZrO2 (CuZ), CoOx/ZrO2 (CoZ), and NiO/ZrO2 (NiZ) catalysts, employed in the naphthalene oxidation reaction. Fresh and catalytically used materials were characterized by different physicochemical techniques, to compare the bulk and surface behavior, with partic...

The conversion of syngas (CO + H2) to gasoline-ranged hydrocarbons was carried out using a hybrid catalyst consisting of metal-loaded ZSM-5 coupled with Cu-ZnO in a near-critical n-hexane solvent. Methanol was synthesized from syngas over Cu-ZnO; subsequently, was converted to hydrocarbons through the formation of dimethyl ether (DME) over the metal-loaded ZSM-5. When 0.5 wt% Pd/ZSM-5 and 5 wt%...

ZnO-supported palladium-based catalysts have been shown in recent years to be both active and selective towards the steam reforming of methanol, although they are still considered to be less active than traditional copper-based catalysts. The activity of PdZn catalysts can be significantly improved by supporting them on alumina. Here we show that the Pd/ZnO/Al2O3 catalysts have better long-term...

Free-standing, ZnO surface decorated Cu nanoparticles of 1-3 nm size were obtained by sequential co-pyrolysis of [Cu(OCHMeCH2NMe2)2] and ZnEt2 in squalane in the absence of additional surfactants and proved to be highly active quasi homogeneous catalysts for methanol synthesis from CO and H2.

Metal oxide nanoparticles (NPs) are reported to impact plant growth in hydroponic systems. This study describes the impact of commercial CuO (\50 nm) and ZnO (\100 nm) NPs on wheat (Triticum aestivum) grown in a solid matrix, sand. The NPs contained both metallic and non-metallic impurities to different extents. Dynamic light scattering and atomic force microscopy (AFM) assessments confirmed ag...