Materials Literature
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Abstract Polyamide 6 (PA6)/organo‐montmorillonite nanocomposites prepared by melt compounding using a co‐rotating twin‐screw extruder were intercalated nanocomposites. The modulus, bending strength and heat distortion temperature of these nanocomposites increased with increasing clay content, and tensile strength incr…
The B3LYP density functional method has been validated for the di-Mn-substituted gamma-Keggin polyoxometalate (POM) anion, [(SiO4)MnIII2(OH)2W10O32]4-, and for the divacant lacunary silicodecatungastate, gamma-[(SiO4)W10O32]8-. This approach was shown to adequately describe the geometries of [(SiO4)MnIII2(OH)2W10O32]4…
Abstract The boundary element method (BEM) was used to study galvanic corrosion using linear and logarithmic boundary conditions. The linear boundary condition was implemented by using the linear approach and the piecewise linear approach. The logarithmic boundary condition was implemented by the piecewise linear appr…
A certain number of reactions in the organic synthesis pose serious scale-up problems; on the other hand, other reactions create safety issues that must be addressed early during process development. The following work shows a statistical analysis of different reactions in terms of kinetics and phases (solid−liquid−ga…
Communication to the Editor - No abstract
Polycrystalline samples of the modified Pb(Zr 1− x Ti x )O 3 (PZT) composition, with representative formula Pb 0.92 (La z Bi 1− z ) 0.08 (Zr 0.65 Ti 0.35 ) 0.98 O 3 (PLBZT), a family of relaxor ferroelectrics, were prepared via the chemical route with z = 0.3, 0.6 and 0.9. Crystalline phases of powders calcined at dif…
Abstract For Abstract see ChemInform Abstract in Full Text.
Two series of homoleptic phenolate complexes with fluorinated aryloxide ligands A2[M(OAr)4] with M=Co2+ or Cu2+, OAr-=(OC6F5)- (OArF) or [3,5-OC6H3(CF3)2]- (OAr'), A+=K (18-crown-6)+, Tl+, Ph4P+, Et3HN+, or Me4N+ have been synthesized. Two related complexes with nonfluorinated phenoxide ligands have been synthesized a…
The geometry of hydrogen intercalation sites in rutile $\mathrm{Ti}{\mathrm{O}}_{2}$ has been studied using first principles calculations. A new intercalation site is predicted which is consistent with all current experimental data. The apparent contradiction between spectroscopic, diffraction and magnetic resonance d…
Several structures of small Cd i X i clusters, i ≤ 16, have been characterized. Ringlike structures have been found to be the lowest lying structures for i ≤ 5 clusters and three-dimensional spheroid structures for larger ones, i = 6−16. This trend has been ascribed to the stability of obtuse X−Cd−X angles in the firs…
We present magnetic and transport measurements on the ${\mathrm{Sr}}_{2}\mathrm{Fe}\mathrm{Mo}{\mathrm{O}}_{6}$ double perovskite, and study the tunneling magnetoresistance (TMR) response when the amount of $\mathrm{Fe}∕\mathrm{Mo}$ disorder (antisite defects) and the grain boundary (GB) properties are changed. We pre…
A nanoimprinting technique (not requiring nanoscale lithography) that is applied to the synthesis of highly ordered nanosphere imprinted nanochannel alumina (NINA) films (see Figure) is reported. The synthesis is effected by the anodic oxidation of nanoimprinted aluminum in phosphoric acid. Films with inter-pore dista…
Abstract We have carried out high‐pressure X‐ray structural studies of BeO and ZnO up to 200 GPa to find the phase transition of BeO from the wurzite to the NaCl structure and that of ZnO from the NaCl to the CsCl structure, which are expected theoretically. The phase transition of BeO occurred at 137 GPa, which is in…
The doping/dedoping behavior of poly(3,4-ethylenedioxythiophene) (PEDT) in acetontrile (lithium, sodium, and tetrabutyl perchlorate) and aqueous electrolytes (lithium and sodium perchlorate, sodium nitrate, sulfate, citrate, and toluenesulfonate) was investigated using the electrochemical quartz crystal microbalance (…
The electronic and geometrical structures of nanoclusters of MgO have been investigated by density functional calculations. The dependence of the properties on size is studied. Defect formation energies are also calculated for various ionic and atomic vacancies. A study of the adsorption of formaldehyde at various sit…
The manganese and cobalt complexes [M(dtbp)2]n (M=Mn, Co; dtbp=di-tert-butyl phosphate), which exist as one-dimensional molecular wires, transform to [M(dtbp)2(bpy)2.2H2O]n by the addition of 4,4-bipyridine (bpy) at room temperature; the latter compounds form noninterpenetrating rectangular grid structures.
A single concentration solution (36 vol %) of a symmetric polystyrene- block -polyisoprene, total molecular weight 30 000, in the styrene-selective solvent diethyl phthalate shows a remarkably rich sequence of thermotropic order−order transitions (OOT). A combination of small-angle X-ray scattering measurements both u…
Metastable VO 2 nanowire arrays, designated as VO 2 (B), have been synthesized via an ethylene glycol reduction approach. The samples are characterized by XRD, TEM, HRTEM, SAED, and XPS. The as-prepared VO 2 (B) nanowires have an average diameter of 6 nm and length of up to several micrometres and grow along the [010]…
In this paper, the magnetocaloric effect in the hexagonal intermetallic compounds belonging to the $R{\mathrm{Ni}}_{5}$ series was calculated using a Hamiltonian including the crystalline electrical field, exchange interaction, and the Zeeman effect. Experimental work was performed and the two thermodynamics quantitie…
PAMAM dendrimers of the zeroth to fifth generation (G0-5) have been peripherally modified with phenyl, naphthyl, pyrenyl, and dansyl chromophores. Their fluorescence behaviors are strongly affected by the dendritic architectures at different generations. These dendrimers modified with hydrophobic chromphores can self-…