Materials Literature
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By means of the LSDA+U method and the Green function method, we investigate the electronic and magnetic properties of the new material of Sr$_8$CaRe$_3$Cu$_4$O$_{24}$. Our LSDA+U calculation shows that this system is an insulator with a net magnetic moment of 1.01 $μ_{\rm B}$/f.u., which is in good agreement with the…
The electronic structure of crystalline CdTe, CdO, $α$-TeO$_2$, CdTeO$_3$ and Cd$_3$TeO$_6$ is studied by means of first principles calculations. The band structure, total and partial density of states, and charge densities are presented. For $α$-TeO$_2$ and CdTeO$_3$, Density Functional Theory within the Local Densit…
We consider two-dimensional foam clusters consisting of small collections of N bubbles with two different areas. Different arrangements of these bidisperse clusters were found experimentally for each N . Calculation of their perimeter allowed us to compare the energy of each cluster, giving candidates to the minimal e…
[structure: see text] In four new dendrimers terminated by 12 electroactive tetrathiafulvalenyl substituents, the tridimensional character of the inter- and intradendrimeric charge and electron transfer, and hence of the electroconductivity, is evidenced by examination of the electronic spectra of their corresponding…
Multilayer materials consisting of ceramic and glass/epoxy composites have been subjected to high strain rate compression testing using the Split Hopkinson Pressure Bar. The samples were extensively strain gaged so that dynamic data were generated directly from the samples during testing. Output data from the experime…
The crystal structure of the ordered double perovskite Sr2MnTeO6 has been refined at ambient temperature from high resolution neutron and x-ray powder diffraction data in the monoclinic space group P 121/n 1 with a = 5.7009(1) A, b = 5.6770(1) A, c = 8.0334(1) A and β = 90.085(1)°. This represents a combination of in-…
An MFI zeolite framework containing iron and aluminum has been prepared and characterized by X-ray absorption spectroscopy. Extended X-ray absorption fine structure analysis indicates that in the as-prepared zeolite Fe is present in the framework but migrates to extraframework sites upon thermal activation at elevated…
We report a direct photopatterning method to produce patterns of thin films containing nanometer-sized pores. A photoacid generator (PAG) was used as a photosensitive agent to initiate the cross-linking reaction of poly(methylsilsesquioxane) (PMSSQ) while an amphiphilic polymeric nanoparticle templates porous structur…
Time-resolved small-angle X-ray scattering (SAXS) measurements performed during the formation of tetraethyl orthosilicate (TEOS) based silica gels in alcohol with 3-(2-aminoethylamino)propyltrimethoxysilane (EDAS) as an additive are reported. The measurements reveal no discontinuity of the nanostructure at the gel poi…
The thermodynamics and kinetics of oxygen radical formation in cages of a nanoporous crystal, 12CaO·7Al 2 O 3, were examined during isothermal annealing in a dry oxygen atmosphere. The formation of oxygen radicals, O 2 - and O -, involves the outward diffusion of extraframework oxide ions, their oxidation by absorbed…
We have studied the colour centre production by swift electron and heavy ion irradiations of yttria-stabilized zirconia (YSZ), i.e. ZrO2:Y with 9.5 mol% Y2O3. For this purpose, we performed irradiations of \langle 100\rangle - or \langle 110\rangle -oriented YSZ single crystals with 2.5 MeV electrons, 145 MeV 13C, 180…
A new, stable iron(III) complex with a pentadentate amide-containing macrocyclic ligand was prepared and fully characterized. The complex adopted a pentagonal-bipyramidal geometry, where an equatorial plane is occupied by the pyridine nitrogen, two deprotonated amide nitrogens, and two secondary amines from the macroc…
Photolysis of perfluoroazooctane with diamond films led the chemical modification of the surface to introduce perfluorooctyl functional groups, confirmed by means of Fourier transform infrared spectroscopy, X-ray photoelectron spectroscopy (XPS), Raman spectroscopy, and time-of-flight secondary ion mass spectrometry m…
The symmetry break of the particle interaction field at surfaces causes a variety of interfacial effects including the variation of the relative stability of different phases of a given compound. In many materials surface melting is observed, i.e. a surface near a portion of the system is in a less ordered state than…
The ordering kinetics of the cylinder phase were characterized using polarizing optical microscopy (POM). Measurements were made on a poly(styrene- b -isoprene) diblock copolymer with block lengths of 15 and 13 kg/mol, respectively, in solution with dibutyl phthalate at a polymer volume fraction of 0.50. Thermal quenc…
A series of [3 x 3] Mn(II)(9), antiferromagnetically coupled, alkoxide-bridged, square grid complexes, derived from a group of "tritopic" dihydrazide ligands, is described. The outer ring of eight Mn(II) centers in the grids is isolated magnetically from the central Mn(II) ion, leading to an S = 0 ground state for the…
We have synthesized La 0.67 Ca 0.33 MnO 3 (LCMO): x ZnO ( ) composites through a citrate gel route and have characterized them for magnetic and magnetotransport properties. In lower concentrations ( ), ZnO mostly goes into the perovskite lattice substituting Mn in LCMO and segregates less in the grain boundary region,…
Abstract A new reaction was developed to synthesize ZnO nanoparticles with nearly uniform, spherical morphologies and controlled size range from 25–100 nm via esterification between zinc acetate and ethanol under solvothermal condition. The ZnO nanoparticles were characterized by X-ray diffraction and transmission ele…
Tethering of monodisperse, chain-end-functionalized polymer from dilute solution to a solid surface shows three regimes of kinetics. This paper presents support for the hypothesis that the experimentally observed third regime is indeed the transition from mushroom to brush and that it occurs in a spatially nonuniform…
We show that a simple soft-core binary fluid mixture with purely repulsive interactions exhibits a λ-line, i.e., a line of continuous transitions to a state characterized by undamped periodic concentration fluctuations (microphase separation). For states in the disordered fluid phase the bulk pair correlation function…