We report results of simulations on the formation of simple zirconium iodide molecules. Previous work by Wimmer et al. [1] explored the relationship between iodine and a zirconium surface. We investigate the reaction schemes through atomistic simulations to better understand the nature of Zr-I interactions through isolated molecules. The computed energy values of varying Zr-I systems suggests a...

Metal Oxide Semiconductor capacitors were fabricated using p-type O-terminated (001) diamond and zirconium dioxide deposited by atomic layer deposition at low temperature (100 °C). X-ray diffraction transmission electron microscopy evidence monoclinic structure polycrystalline nature of the oxide layer. I-V, CV CF experiments have been performed in a large frequency range, i.e. from 1 Hz to MHz...

Signals from resistive gas sensors based on zirconium dioxide and silicon–carbon films have been extensively investigated to estimate concentration. In this study, the change in normalized resistance of sensor’s response under NO2 exposure is shown analysis first second derivatives curves were carried out. A signal-processing scheme, reducing effect noise signal drift, proposed. The extreme der...

In this research, the radiation-heterogeneous processes of water decomposition on surface zirconium dioxide nanoparticles (n-ZrO2) were studied. The kinetics buildup molecular hydrogen during radiolytic was also examined. production H2 and H2O2 through radiolysis investigated to develop a computational model disclose kinetic behavior radiolysis. enthalpy ZrO2 studied at temperature range T=1200...

The mechanical properties and good biocompatibility of zirconium and some of its alloys make these materials good candidates for biomedical applications. The attractive in vivo performance of zirconium is mainly due to the presence of a protective oxide layer. In this preliminary study, the surface of pure zirconium modified by anodisation in acidic media at low potentials to enhance its barrie...

A 51 yr old, nonsmoking female suffered from relapsing progressive pneumonia for several years. The patient had worked for 16 yrs in the nuclear industry and was exposed to grinding particles and welding fumes working with zirkaloy, an alloy containing tin, iron, chromium and zirconium. During an exacerbation of the pneumonia radiography of the lung showed interstitial infiltrations of both low...

Large-scale characterization of phosphoproteins requires highly specific methods for the purification of phosphopeptides because of the low abundance of phosphoproteins and substoichiometry of phosphorylation. A phosphopeptide enrichment method using ZrO2 nanoparticles is presented. The high specificity of this approach was demonstrated by the isolation of phosphopeptides from the digests of mo...

Modification of different zirconium propoxide precursors with H(2)dea was investigated by characterization of the isolated modified species. Upon modification of zirconium n-propoxide and [Zr(O(n)Pr)(O(i)Pr)(3)((i)PrOH)](2) with (1/2) a mol equivalent of H(2)dea the complexes [Zr(2)(O(n)Pr)(6)(OCH(2)CH(2))(2)NH](2) (1) and [Zr(2)(O(n)Pr)(2)(O(i)Pr)(4)(OCH(2)CH(2))(2)NH](2) (2) were obtained. Ho...

Films of highly oriented alpha-zirconium phosphate and polyaniline-intercalated zirconium phosphate with controllable thickness in the micrometer range were grown anodically on Pt electrodes. To optimize the electrodeposition conditions, the exfoliation of alpha-zirconium phosphate by tetrabutylammonium (TBA) salts was investigated in several nonaqueous solvents. Acetonitrile was found to be th...

Two new intercalates of tris[4-(pyridin-4-yl)phenyl]amine (TPPA) with zirconium hydrogen phosphate and zirconium 4-sulfophenylphosphonate having formulae Zr(HPO4)2·0.21(C33H24N4)·2.5H2O and Zr(HO3SC6H4PO3)(1.3)(C6H5PO3)(0.7)·0.35(C33H24N4)·2.5H2O were prepared and characterized by thermogravimetry, IR spectroscopy, and powder X-ray diffraction. The TPPA molecule has been selected as a model tri...