Materials Literature
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The effect of the stereochemistry of polylactide (PLA)-based block copolymers on templated inorganic nanostructures has been investigated from the self-assembly of a stereoisomer pair/organosilicate mixture followed by organosilicate vitrification and copolymer thermolysis. Isomeric PLA homopolymers, block copolymers,…
First-principles density functional theory and supercell models are employed to calculate the adsorption of water molecules on the NiO(100) surface. Because the physical properties of NiO are effected by the strong on-site Coulomb repulsion between the 3d electrons, the electronic correlations are also taken into acco…
A method is presented that enables the bond length changes resulting from the Jahn-Teller interaction to be predicted from a knowledge of the angular geometry of the complex and the identity of the ligators. The calculation of the energy minimum within the subspace of the Jahn-Teller active e skeletal mode proceeds by…
Several radiation defects with effective electron spin $S=1$ have been observed in synthetic $\ensuremath{\alpha}$-quartz, using room-temperature (RT) electron paramagnetic resonance (EPR) spectroscopy. It turns out that these defects had better be considered as biradicals, i.e., pairs of $S=1∕2$ species. The paramete…
Abstract A simulation model is developed to analyze steady state and transient operation of a tubular solid oxide fuel cell (SOFC). The performance of the tubular SOFC is compared when the operation parameters such as inlet fuel temperature, inlet oxidant temperature, and inlet oxidant flow rate are changed, respectiv…
The off-resonant hyperpolarizability is calculated by using the dipole-free sum-over-states expression from a randomly chosen set of energies and transition dipole moments that are forced to be consistent with the sum rules. The process is repeated so that the distribution of hyperpolarizabilities can be determined. W…
Abstract A new one‐step method of preparation of solution processable conductive polyaniline (PANI) is reported using didecyl ester of 4‐sulfophthalic acid (DESPA) as multifunctional material. It consists of inversed emulsion polymerization of aniline in water/chloroform mixture with benzoyl peroxide initiator, maleic…
Abstract Anhydrous neodymium(III) acetate, Nd(OAc) 3 was obtained as light purple single crystals by direct oxidation of neodymium metal with malonic acid in a glass ampoule at 180 °C. It crystallizes with the monoclinic space group P 2 1 / a (no. 14) with a = 2201.7(2), b = 1850.0(1), c = 2419.0(3) pm, β = 96.127(8)°…
Herein we report the encapsulation of fluorescent conjugated polyelectrolytes (CPEs) within 100 nm diameter liposomes, their subsequent specific immobilization onto polyethylene-glycol-coated glass coverslips and their observation via single molecule spectroscopy. We believe that this novel architecture, a surface tet…
A 505 nm-peaked photoluminescence of phosphor for white-light-emitting diodes originating from an intermediate phase, , is found. The corresponding optical properties of this 505 nm-peaked photoluminescence resemble those of well. X-ray diffraction (XRD) results confirm the existence of in the . The formation of is as…
Methods of contrast variation are tools that are essential in macromolecular structure research. Anomalous dispersion of X-ray diffraction is widely used in protein crystallography. Recent attempts to extend this method to native resonant labels like sulfur and phosphorus are promising. Substitution of hydrogen isotop…
A simple and reliable film-calliper method of measuring the particle contact angle at the water-air (oil) interface in real time has been developed. Its applicability to submicrometer and micrometer latex and silica particles is demonstrated.
Abstract We have developed an efficient and versatile method for the synthesis of polyhedral oligomeric silsesquioxanes (POSS)‐polymethacrylate hybrids, such as POSS‐poly(methyl methacrylate) (POSS‐PMMA), POSS‐poly(ethyl methacrylate) (POSS‐PEMA), and POSS‐poly(benzyl methacrylate) (POSS‐PBzMA) of controllable molecul…
Abstract General, fast, efficient, and inexpensive methods for the synthesis of poly (amido amine) (PAMAM) dendrimers having core diversities were elaborated. In all syntheses, the major step involved an inexpensive 1,3‐dipolar cycloaddition reaction between an alkyne and an azide in the presence of Cu(I) species, whi…
Abstract Ag 2 Se (naumannite) was investigated by means of temperature dependent synchrotron powder diffraction and DTA. Upon heating in air the known 1 st order phase transition from orthorhombic low‐temperature Ag 2 Se (P2 1 2 1 2 1 , Z = 4) to cubic ion conducting high‐temperature Ag 2 Se (Im3m, Z = 2) was observed…
This work proposes a method of efficiently modeling the hysteresis of ferroelectric materials. Our approach includes the additive combination of a reversible and an irreversible portion of the polarization and strain, respectively. Whereas the reversible parts correspond to the common piezoelectric linear equations, t…
The recently finished genome sequence of Ralstonia eutropha H16 harbors nine genes that are thought to encode functions for intracellular depolymerization (mobilization) of storage poly(3-hydroxybutyrate) (PHB). Based on amino acid similarities, the gene products belong to four classes (PhaZa1 to PhaZa5, PhaZb, PhaZc,…
Abstract An aqueous emulsion of chitosan nanoparticles encapsulating silver oxide is prepared from silver nitrate and chitosan. The nanoparticles are positively charged with an average diameter of 300 nm. The dried particle has a spherical shape with a 100 nm diameter. The emulsion is applied onto cotton and delivers…
Inelastic neutron scattering and high-field electron paramagnetic resonance data are presented for [Mn(bpia)(OAc)(OCH(3))](PF(6)), where bpia is bis(picolyl)(N-methylimidazole-2-yl)amine. Modeling of the data to the conventional fourth-order spin-Hamiltonian yielded the following parameters: D = 3.526(3) cm(-1), E = 0…
A remarkable property of certain glass-forming liquids is that a fast mode of crystal growth is suddenly activated near the glass transition temperature, Tg, and continues in the glassy state. This mode of growth, termed GC (glass-crystal), is so fast that it is not limited by molecular diffusion in the bulk liquid. W…