We have studied an alumina/zirconia interface using the all-electron projector augmented wave formalism within density functional theory. We present the electronic, structural, and energetic properties of the ZrO2(001)/a-Al2O3(11̄02) interface as well as of the free a-Al2O3(11̄02) and ZrO2(001) surfaces. We find that the generalized gradient correction significantly lowers the oxide surface energ...

This article discusses the performance of ZrO2-supported size-selected Pt nanoparticles for the decomposition of methanol, ethanol, 2-propanol, and 2-butanol. The potential of each alcohol for the production of H2 and other relevant products in the presence of a catalyst is studied in a packed-bedmass flow reactor operating at atmospheric pressure. All the alcohols studied show some decompositi...

We have studied the ZrO2~111!/Ni~111! interface using the ultrasoft pseudopotential formalism within density functional theory. We find that ZrO2(111) adheres relatively strongly at the monolayer level but thicker ceramic films interact weakly with the Ni-substrate. We argue that the cohesion changes character from dominantly image charge interactions for thick ceramic films to more covalent fo...

A series of ZrO2 supported Ru-Co bimetallic catalysts were prepared and evaluated for the hydrogenolysis of glycerol. The Ru-Co/ZrO2 bimetallic catalyst combines the advantages of both Ru and Co, exhibiting high activity and good selectivity to 1,2-propanediol. The X-ray diffraction (XRD) and TEM results show that higher calcination temperature leads to lower reducibility of cobalt oxides and l...

The aim of this work was to evaluate the flexural strength and surface hardness heat-cured Polymethyl methacrylate (PMMA) modified by addition ZrO2 nanoparticles, TiO2 E-glass fibre at different wt.% concentrations. Specimens were fabricated separated into four groups (n = 10) measure both hardness. Group C control group. specimens in remaining three differed according ratio filler weight PMMA ...

---------------------------------------------------------------------***--------------------------------------------------------------------Abstract Effect of TiO2 and ZrO2 filler on mechanical properties of the epoxy polymer has been investigated experimentally. TiO2 and ZrO2 filler epoxy composites are fabricated by hand layup technique in a mold and cured under light pressure at room tempera...

we report on the synthesis, morphology, chemically and structurally of la2o3-co3o4-zro2 nanostructure. the la2o3-co3o4-zro2 nanostructure was synthesized by a method based on the co-precipitation. composite powders have been characterized by xrd (x-ray diffraction), sem (scanning electron microscopy) and bet (brunauer-emmett-teller). x-ray diffraction showed the formation of nano crystalline, l...

Thin solid films consisting of ZrO2 and Fe2O3 were grown by atomic layer deposition (ALD) at 400 °C. Metastable phases of ZrO2 were stabilized by Fe2O3 doping. The number of alternating ZrO2 and Fe2O3 deposition cycles were varied in order to achieve films with different cation ratios. The influence of annealing on the composition and structure of the thin films was investigated. Additionally, ...

The band alignment of ZrO2/interfacial layer/Si structure fabricated by simultaneous oxidation and nitridation of sputtered Zr on Si in N2O at 700°C for different durations has been established by using X-ray photoelectron spectroscopy. Valence band offset of ZrO2/Si was found to be 4.75 eV, while the highest corresponding conduction offset of ZrO2/interfacial layer was found to be 3.40 eV; owi...