Materials Literature
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The macrocyclic ligand 1,4,7,10-tetraazacyclododecane-1,4,7-triyl(methylenebenzyl-phosphinic acid) H3L3, has been prepared and its complexes with Eu, Gd and Tb(III) studied by NMR, relaxometry, luminescence and single crystal X-ray crystallography. In solution and in the crystal, the complexes have eight-coordinate me…
The objective of this study was to assess the in vitro and in vivo degradation properties of macroporous sponges composed of oxidized acetyl-cellulose (AC; 45.000 Mw) and ethyl-cellulose (EC; 50.000 Mw). The sponges were constructed by solvent-casting and particulate-leaching technique using a polymer concentration of…
Power up-rating of existing nuclear reactors promises to be an area of great study for years to come. One of the major approaches to efficiently increasing power density is by way of advanced fuel design, and cross-shaped spiral-fuel has shown such potential in previous studies. Our work aims to model the thermal-hydr…
When designing above-ground ammunition storage facilities, one has to take into account the debris hazard resulting from accidental explosions. The purpose of this paper is to develop a predictive method for debris dispersion around an ammunition storage site in case of an accidental detonation in a reinforced concret…
Abstract Through the application of the atom–bond electronegativity equalization method (ABEEM) to the calculation of the hardnesses of more than 300 tautomers, it can be seen that the maximum hardness principle is nearly useless to account for their relative stabilities. Moreover, by calculating the energies of these…
The synthesis, characterisation and liquid crystal properties of some forty palladium imine complexes are reported, along with the single crystal X-ray structures of three derivatives. The complexes contain an imine ligand, bound to palladium in an ortho-metallated fashion, and a β-diketonate; the liquid crystal behav…
A new experimental method (evaporation method) for calcium carbonate precipitation in aqueous solution was attempted in order to develop a convenient and controllable experimental technique for obtaining precise trace element partition coefficients. Calcite crystals were formed by evaporation of H2O from the aqueous m…
Cross-linking, leading to an insulating quasi-polymeric material, occurs with the initial irradiation-induced modification in films of the monomolecular insulator (1,1′;4′,1″-terphenyl)-4,4″-dimethanethiol, although this is accompanied by a decrease in the gap between the highest occupied molecular orbital and lowest…
Crystal structure of a layered perovskite, KCa2Nb3O10, was determined by the Rietveld refinement method for a powder neutron diffraction pattern. The compound crystallizes a monoclinic system with a space group P21/m (No. 11) and lattice parameters of a=0.77418(6) nm, b=0.77073(6) nm, c=1.4859(1) nm, β=97.51(1)°.
Perovskite-type LaSrMO4 (M = Mn, Fe, Co, Ni, Cu) mixed oxides were prepared by the decomposition of amorphous citric and ethylenediaminetetraacetic acid complexes and investigated by the XRD, FTIR, BET, TPR, TPD and XPSmethods. Their catalytic behavior in the total oxidation of hexane was examined. The following activ…
Lead-free piezoelectric ceramics (1-x)(Bi0.5Na0.5)TiO3-xBa(Zr0.04Ti0.96)O3 (abbreviated as BNT-BZT100x, with x ranged from 2 to 10 mol%) have been investigated. The samples were prepared by a conventional sintering technique. Effect of amount of BZT on the electrical properties and microstructures of BNT-BZT lead-free…
A series of computational chemistry projects is described that focuses on the isomerization reactions, HNC–HCN and CH 3 NC–CH 3 CN. These projects guide students through several applications involving transition state location and optimization, intrinsic reaction coordinate potential energy surface construction, and t…
Mg-based Laves phase alloys (Mg0.7M0.3)Ni2, where M elements were Ca, La, Ce, Pr, Nd and Gd were successfully developed. The alloys can be synthesized by a conventional induction melting and annealing method from intermetallic compounds MgNi2 and MNi2 as a source of Mg, Ni and M elements. The crystal structures of the…
Active cobalt alloy cathodes for hydrogen evolution in 8 kmol·m−3 NaOH at 90°C was tailored by electrodeposition. Enhancement of cathodic activity of Co-Ni alloys was carried out by the formation of Co-Ni-Fe-C alloys. The addition of both iron and carbon was effective in enhancing the electrolytic hydrogen evolution a…
Practical applications of thermoelectric modules have been most common in Peltier cooling and heating in various systems at around room temperature. Recently, recovery of electricity from heat wasted in various situations has been expected for effective utilization of energy resources. One of the key technologies for…
The Lyocell process (system: cellulose-water-N-methylmorpholine oxide) of Zimmer AG offers special advantages for the production of cellulose fibers. The process excels by dissolving the most diverse cellulose types as these are optimally adjusted to the process by applying different pretreatment methods. Based on thi…
This paper gives an overview of some potential uses of carbon nanotube field effect transistors (CNTFETs) in logic circuit design. The realization of existing logic functions with resistive-load and complementary logic is described, with some examples of how a logic function can be coded by selective doping of a singl…
Nearly monodispersed-size CuxS nanocrystals(NCs) were obtained by sulfuration of Cu(II)-alkyl-amine complexes using dodecanethiol-solvated sulfur at 363 K. The morphology and chemical composition of CuxS NCs can be controlled by using appropriate alkyl-amine ligands. NCs of Cu-deficient sulfides, Cu1.8S (digenite) or…
A homologous series of eleven five-ring symmetrical bent-core compounds containing terminal -alkyl carboxylate groups were synthesized, characterized and their dielectric and electro-optical properties have been investigated. The lower homologues ( = 6-11) of the series show B structures with an interesting odd-even e…
Duplex coatings combine an "active" protection provided by a metal deposit, playing the role of sacrificial anode to cathodically protect the substrate with "passive" protection of an organic layer, playing the role of a diffusional barrier to hinder transport of ionic species. The corrosion behavior of these duplex c…