Materials Literature
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The thermal effect of a reaction makes the temperature inside the reaction system deviate from a prescribed heating program. To take into account the effect of such temperature deviations on kinetic evaluations, a computational method applicable to an arbitrary variation in temperature has been developed. The method c…
Magnetic coupling constants (2 J ) of hydroxo- and alkoxo-bridged copper binuclear compounds have been evaluated to determine the accuracy of different density functional methods and to study the magnetic behavior of these compounds. Comparison between the calculated and experimental coupling constants for the complet…
The unusual magnetic properties of ${\mathrm{La}}_{0.5}$ ${\mathrm{Ca}}_{0.5}$ ${\mathrm{MnO}}_{3}$ were found to be associated with structural and magnetic ordering phenomena, resulting from the close interplay between charge, orbital, and magnetic ordering. Analysis of synchrotron x-ray and neutron powder diffractio…
The 23 Glazer tilt systems describing octahedral tilting in perovskites have been investigated. It is shown that in tilt systems a + a + a − , a + b + b − , a + a + c − , a + b + c − , a 0 b + b − and a 0 b + c − it is not possible to link together a three-dimensional network of perfectly rigid octahedra. In these til…
Abstract We discuss the use of regression diagnostics combined with nonlinear least-squares to refine cell parameters from powder diffraction data, presenting a method which minimizes residuals in the experimentally-determined quantity (usually 2θ hkl or energy, E hkl ). Regression diagnostics, particularly deletion d…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTElectrochemically Active Polymers for Rechargeable BatteriesPetr Novák, Klaus Müller, K. S. V. Santhanam, and Otto HaasView Author Information Paul Scherrer Institute, Electrochemistry Section, CH-5232 Villigen PSI, Switzerland Battelle Institute, CH-1227 Carouge/GE, Switzer…
ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTSynthetic Principles for Bandgap Control in Linear π-Conjugated SystemsJean RoncaliView Author Information Ingénierie Moléculaire et Matériaux Organiques, CNRS UMR 6501, Université d'Angers, 49045 Angers, France Cite this: Chem. Rev. 1997, 97, 1, 173–206Publication Date (Web…
Data on the physical properties of diamond as a solid state electronics material are briefly discussed with particular emphasis placed on synthetic crystals and plasma-precipitated films.
Pellets of poly(ethylene terephthalate) (PET; 0.48–1.92 g) were heated in anhydrous ethylene glycol (EG; 5 mL) with 2-equivs of NaOH at 150°C for 80 min or 180°C for 15 min to convert them quantitatively to disodium terephthalate (Na2-TPA) and EG. The disodium salt was precipitated quantitatively in pure state from th…
The uncatalyzed edge growth of carbon nanotubes was investigated by first-principles molecular dynamics simulations. At experimental temperatures the open end of single-walled nanotubes closed spontaneously into a graphitic dome, which may explain why these nanotubes do not grow in the absence of transition metal cata…
First-principles full potential linearized augmented plane wave (FLAPW) calculations have been performed for lattice-mismatched common-atom III-V interfaces. In particular, we have examined the effects of epitaxial strain and ordering direction on the valence band offset in [001] and [111] GaSb/InSb and InAs/InSb supe…
The modelling analysis herein and corresponding VLEED calculations suggest that the formation of the O -1 and the hybridised- O -1 effects in nature the c(2×2)-O and subsequently the [Formula: see text] phase on the O-Cu(001) surface.
Three series of aromatic, thermotropic copolyesters, based on terephthalic acid (TA), ethylene glycol (EG), and another diol were prepared. The third monomer was selected from three different hydroquinones including, ethoxyhydroquinone (EHQ), phenylhydroquinone (PHQ), and hydroquinone itself (HQ). The amounts of the d…
The experimentally estimated ‘normalized’ rate constants of the bulk crystallization of poly(L-lactic acid) and natural rubber at different temperatures have been used in order to test different equations describing the temperature dependence of the normalized crystallization rate constants. Ten of these expressions a…
The epoxy resin containing a typical mesogenic group such as biphenol was cured with catechol novolak and aromatic diamines which have neighboring active hydrogens. In the biphenol-type epoxy resin cured with catechol novolak, 4,4′ diaminodiphenylmethane, and p-phenylenediamine (PPD), the glass-rubber transition almos…
Crosslinkable alkyl-substituted poly(aryl ether ketone)s (PEKs) bearing a styryl group at both chain ends were synthesized by nucleophilic substitution reaction of 1,1′-(p-phenyl-enedioxy)bis[2-methyl-4-(4-fluorobenzoyl)benzene] with an excess aromatic diol in the presence of a base, followed by the reaction of the te…
Nominal stress-strain curves of a series of random ethylene-hexene copolymers having narrow composition and most probable molecular weight distributions were investigated. A series of such molecular weight copolymers with a constant concentration of branches were crystallized under a variety of conditions. In each mol…
The reaction mechanisms of thermal crosslinking of polyethylene with dicumyl peroxide (DCP) at high temperatures were investigated by electron spin resonance (ESR). The crosslinking reactions were induced by the alkyl radicals formed by the thermal decomposition of DCP above 120°C. The kinetics of the free radical rea…
Since poly(lactic acid) is the biodegradable polyester having low immunogenicity and good biocompatibility, it is utilized as a medical material. However, poly(lactic acid) is a water-insoluble crystalline polymer having no reactive side-chain group. Thus, the use of poly(lactic acid) is limited. To modify the propert…
The morphological stability of polystyrene high-density polyethylene (PS/PE) blend is investigated in the region of dual-phase continuity. The effect of the addition of a triblock SEBS copolymer to the blends on the stability of these morphologies, is examined. The results show that the morphology of the unmodified bl…