Materials Literature
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Comparative ab initio restricted Hartree–Fock (RHF) and density functional theory (DFT) calculations were performed to investigate the geometric and electronic structures of various neutral aniline oligomers. These oligomers were selected to model polyaniline (PANI) in different intrinsic oxidation states, with an aim…
We have fabricated a vertically aligned 4-domain nematic liquid crystal display cell with thin film transistor. Unlike the conventional method constructing 4-domain, i.e., protrusion and surrounding electrode which needs additional processes, in this study the pixel design forming 4-domain with interdigital electrodes…
A systematic theoretical analysis of electronic states and thermoelectric transport in $\mathrm{PbTe}/{\mathrm{Pb}}_{1\ensuremath{-}x}{\mathrm{Eu}}_{x}\mathrm{Te}$ quantum well structures is presented, employing more realistic well model than has been used up to now. The carrier scattering both on optical and acoustic…
We examine some of the consequences, and their connection to experiments on supercooled liquids, of a scaling model of heterogeneous relaxation that is based on the theory of frustration-limited domains. In particular, we focus on what appears to be the two slowest components of structural relaxation, the one usually…
We report the results of an all electron self-consistent calculation of the electronic structure of ${\mathrm{CrO}}_{2}$ in the local spin-density approximation, employing an extended version of the linear combination of Gaussian orbitals method. ${\mathrm{CrO}}_{2}$ is found to be a half-metallic ferromagnet in agree…
We present a study of the kinetics of photoluminescence (PL) and cathodoluminescence (CL) degradation of semiconductor quantum dot composites, formed by highly luminescent (CdSe)ZnS core-shell nanocrystals embedded in a ZnS matrix. The photoluminescence and cathodoluminescence spectra indicate that both emissions orig…
The extreme acidothermophilic archaeon Sulfolobus solfataricus harbors a membrane-associated protein kinase activity. Its solubilization and stabilization required detergents, suggesting that this activity resides within an integral membrane protein. The archaeal protein kinase utilized purine nucleotides as phosphory…
The phase content and crystallinity of initially amorphous amylose–water mixtures (70/30 W/W) have been changed by slow cycles of dissolution and recrystallization from Tmax with 50 °C < Tmax < 120 °C. Analysis of the treatment-induced changes is made by X-ray diffraction, FTIR, fast T-ramp DSC and slow calorimetry. O…
We consider a metal-insulator transition for the quarter-filled doubly degenerate band of correlated electrons, as well as the onset of the itinerant orbitally ordered phase combined with the saturated ferromagnetism near that limit. The insulating state is instable with respect to either spin-triplet superconductivit…
By using the hole effective-mass Hamiltonian for semiconductors with the wurtzite structure, we have studied the exciton states and optical spectra in CdSe nanocrystallite quantum dots. The intrinsic asymmetry of the hexagonal lattice structure and the effect of spin-orbital coupling (SOC) on the hole states are inves…
Within self-consistent field theory we study the phase behaviour of a symmetric binary AB polymer blend confined into a thin film. The film surfaces interact with the monomers via short-range potentials. One surface attracts the A component and the corresponding semi-infinite system exhibits a first-order wetting tran…
The structure formation process of isotactic polypropylene (itPP) from the glass into the “smectic” mesophase has been studied by small-angle x-ray scattering, wide-angle x-ray scattering and differential scanning calorimetry. The structure of the smectic phase was unaltered during the transition process, which indica…
ZnZr doped barium ferrite single domain particles BaFe12−2xZnxZrxO19 with 0⩽x⩽0.8 were prepared by the chemical coprecipitation method. With increasing doping concentration x, the magnetocrystalline anisotropy and thus the coercivity was drastically decreased. This was mainly due to the substitution of Fe3+ ions in th…
Some rather unusual optical morphologies in thin films of poly(hydroxybutyrate) in which a temperature gradient is imposed across the thickness of the film are reported. Spherulites in which the Maltese cross degenerates into a continuous spiral grow under these conditions, and the direction of the rotation of the spi…
Gold particles were vapor deposited onto thin substrates of highly oriented graphite at temperatures from 250 to 350 \ifmmode^\circ\else\textdegree\fi{}C inside a transmission electron microscope. The growth kinetics of individual particles were recorded in real time. Mostly well faceted, flat crystallites grew in epi…
Polyester blending of poly(epsilon-caprolactone) (PCL) with poly(D, L-lactide) (PLA) and their random copolymers (R(CL/LA)) was found to be a convenient approach to regulate the degradation and drug release behaviors of the polyesters. The blend composition and compatibility both affected its degradation and drug rele…
SUMMARY The succession of attached algal communities was studied in Lake Biwa and the Omiya River. After the ‘climax’ which was characterized by large numbers of Cymbella turgidula Grunow and Gomphoneis quadripunctatum (Ostrup) P. Dawson, the community was dominated by species attached directly to stalks or tangled am…
The synthesis and optical properties of a series of amorphous polyesters with amino-sulfone azobenzene chromophores in the main chain are presented. The condensation of alkyl diacid chlorides with 4-[(2-hydroxyethyl)ethylamino]-4′-(2-hydroxyethylsulfonyl)azobenzene (7) gave polymers that showed low and unstable photoi…
We clarified here an epitaxial growth mechanism of ZnO(0001) surface on an atomic scale, by using molecular-dynamics crystal-growth simulations. It was observed that the crystal growth starts at the step of ZnO(0001), but not at the terrace of ZnO(0001). This phenomenon is clearly justified from the coordination numbe…
The electronic specific heat of partially deuterated organic conductors $\ensuremath{\kappa}\ensuremath{-}{(\mathrm{B}\mathrm{E}\mathrm{D}\mathrm{T}\ensuremath{-}\mathrm{T}\mathrm{T}\mathrm{F})}_{2}{\mathrm{Cu}[\mathrm{N}(\mathrm{CN})}_{2}]\mathrm{B}\mathrm{r},$ [where BEDT-TTF denotes bis(ethylenedithio)tetrathiafulv…