Materials Literature
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This study deals with the effects of expandable graphite (EG) on the mechanism of degradation of polyurethane (PU). We have shown that the mechanism of expansion of the graphite is due to oxidation of the carbon layer by H 2 SO 4, rather than its decomposition, as previously suggested in the literature. On the other h…
The double-decker lutetium(III) phthalocyanine, Lu[(RS) 4 Pc] 2, where R = C 12 H 25, was synthesized and electrochemically characterized under several solution conditions. The neutral complex undergoes a single reversible one-electron oxidation and up to four reversible one-electron reductions in nonaqueous solutions…
Density functional theory is used to compute electronic and thermodynamic interactions between atomic and molecular oxygen and small Pt n clusters ( n = 2−6). Binding energies, vibrational frequencies, and charge distributions are reported. Two states are identified for the adsorption of molecular oxygen: the superoxo…
Molecular dynamics simulations were performed for a series of AB2 dendrimer models, in explicit-solvent solutions where the ratio Rg/L (Rg is the radius of gyration and L the size of the simulation box) is kept between 0.15⩽Rg/L⩽0.2. Results on static properties (size, shape, density profiles) are in good agreement wi…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTPhotoswitching of Intramolecular Magnetic Interaction Using a Diarylethene DimerKenji Matsuda and Masahiro IrieView Author Information Department of Chemistry and Biochemistry Graduate School of Engineering, Kyushu University CREST, Japan Science and Technology Corpora…
Recent studies have shown that lithium nonstoichiometry has a tremendous influence on domain reversal characteristics in ferroelectric lithium tantalate. This work presents a systematic study of the domain reversal characteristics such as threshold coercive fields for domain reversal, domain stabilization times, “back…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTThe Facile One-Pot Synthesis of Shell Cross-Linked Micelles in Aqueous Solution at High SolidsShiyong Liu and Steven P. ArmesView Author Information School of Chemistry Physics and Environmental Science University of Sussex Brighton, East Sussex, BN1 9QJ, UK Cite this:…
The conductance of carbon nanotubes with a Stone–Wales defects composed of two pentagon-heptagon pairs is calculated in an effective-mass approximation. The presence of topological defects is represented as a nonlocal potential. The results obtained in the k · p scheme agree with those in a tight-binding model.
The structural, magnetic, and electronic properties of the polycrystalline La1−xNaxMnO3 (x=0.10, 0.15, 0.20, and 0.30) are investigated. The result of the Rietveld refinement of x-ray powder diffraction shows that these compounds crystallize in a rhombohedrally distorted structure with space group R3̄C. The magnetic m…
In its most common form, the non-hydrolytic sol−gel (NHSG) process involves the reaction of a “metal” halide with an oxygen donor, leading to the formation of an inorganic oxide. The use of NHSG chemistry for the synthesis of organic−inorganic hybrids is in its infancy compared to progress on hybrid synthesis using hy…
ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTA Dual Fluorescence Temperature Sensor Based on Perylene/Exciplex InterconversionNirmala Chandrasekharan and Lisa A. KellyView Author Information Department of Chemistry and Biochemistry University of Maryland, Baltimore County Baltimore, Maryland 21250 Cite this: J. A…
A mixed quantum mechanics/molecular mechanics (QM/MM) model is used for investigating the nature of molecular hydrogen adsorption in pure and alkali-metal-doped single-walled carbon nanotubes (SWNTs). Our results demonstrate that the charge transfer from the alkali metal to the tube polarizes the H 2 molecule and this…
We introduce a dissipative particle dynamics scheme for the dynamics of nonideal fluids. Given a free-energy density that determines the thermodynamics of the system, we derive consistent conservative forces. The use of these effective, density dependent forces reduces the local structure as compared to previously pro…
Microlithographic objectives have been developed for deep ultraviolet and vacuum ultraviolet wavelengths used for printing and inspection applications related to microlithographic processes. Refractive and catadioptric design solutions using fused silica, calcium fluoride and other crystals are discussed. Several refl…
Recent synthesis and NMR spectroscopy of neutral Ir(V) complexes hydridotris(3,5-dimethylpyrazol-1-yl)borato tetrahydride (Tp*IrH(4)) and hydridotris(pyrazol-1-yl)borato tetrahydride (TpIrH(4)) have been interpreted as supporting face-capped octahedral structures (C(3upsilon)) with each of three Ir-H bonds trans to an…
Abstract Spandex fibers were obtained by melt spinning segmented copolyetheresteramides with crystallizable aromatic diamide units of uniform length and poly(tetramethyleneoxide) segments. The aramid content was varied from 3 to 22 wt %, and the molecular weight of the polyether segment ranged from 1000 to 9000 g/mol.…
An ab initio coupled perturbed Hartree−Fock study has been performed to investigate the hyperpolarizabilities β of a series of heteroaromatic-substituted sym -triazines in the frame of a tensorial formalism. Effects of donor or acceptor substitution and electron correlation on the octupolar triazines have also been ex…
The effect of anionic surfactants (single-chained sodium n -dodecyl sulfate (SDS), asymmetric double-chained sodium bis(2-ethylhexyl) sulfosuccinate (AOT), and two-headed disodium oleoamido PEG-2 sulfosuccinate) on the crystallization process of calcium hydrogen phosphate dihydrate (DCPD) was investigated. All surfact…
The hyperthermophilic archaeon Pyrococcus furiosus can utilize different carbohydrates, such as starch, maltose and trehalose. Uptake of alpha-glucosides is mediated by two different, binding protein-dependent, ATP-binding cassette (ABC)-type transport systems. The maltose transporter also transports trehalose, wherea…
A novel synthetic process was developed to yield optically active polyaniline derivatives (PANIs) prepared by electron acceptor, 2,3-dichloro-5,6-dicyanobenzoquinone (DDQ), using either (+)- or (−)-camphorsulfonic acid (CSA) as the chiral inductor in organic media. Either thin films of PANIs/(+)-CSA and PANIs/(−)-CSA…