Materials Literature
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Even though the rare-earth tritellurides are tetragonal materials with a quasi-two-dimensional band structure, they have a ``hidden'' one-dimensional character. The resultant near-perfect nesting of the Fermi surface leads to the formation of a charge density wave (CDW) state. We show that, for this band structure, th…
The indirect exchange interaction between magnetic impurities localized in a graphene plane is considered theoretically, with the influence of intrinsic spin-orbit interaction taken into account. Such an interaction gives rise to an energy gap at the Fermi level, which makes the usual RKKY model not applicable. The re…
We report the first quasiparticle calculations of the newly observed wurtzite polymorph of InAs and GaAs. The calculations are performed in the GW approximation using plane waves and pseudopotentials. For comparison we also report the study of the zinc-blende phase within the same approximations. In the InAs compound…
The accuracy of the quasicontinuum method is studied by reformulating the summation rules in terms of reconstruction schemes for the local atomic environment of the representative atoms. The necessary and sufficient condition for uniform first-order accuracy and, consequently, the elimination of the ``ghost force'' is…
With experimental investigations and current theories, molecular modeling became an inevitable technique to study the perplexing phenomenon of glass transition. Among polymers, small variations in atomic interactions yield different values of the glass transition temperature, T{g}. To reveal the influence of differenc…
We study the electron transport properties of a monoatomic graphite layer (graphene) with different types of disorder. We show that the transport properties of the system depend strongly on the character of disorder. Away from half filling, the concentration dependence of conductivity is linear in the case of strong s…
Far infrared transmission experiments are performed on ultrathin epitaxial graphite samples in a magnetic field. The observed cyclotron resonancelike and electron-positron-like transitions are in excellent agreement with the expectations of a single-particle model of Dirac fermions in graphene, with an effective veloc…
The new cluster [Fe3O(C7H5O2)6(phen)(H2O)]NO3 was prepared and characterized by atomic absorption, elemental analysis, mass spectrometry, Mössbauer, IR, UV-vis and EPR spectroscopies. Structural information was obtained from quantum mechanics calculations using the molecular mechanics (MM+) approach. This cluster has…
Abstract Hybrid organic–inorganic nanocomposites containing PEO segments linked to a methacrylate network were prepared through a dual‐curing process, which involved photopolymerization and condensation of alkoxysilane groups. A system based on an α,ω‐dimethacrylate PEO oligomer (BEMA 1400) added with methacryloyl‐oxy…
A method based on on‐line solid phased extraction capillary liquid chromatography‐electrospray ionization‐mass spectrometry (SPE‐capLC‐ESI‐MS) has been developed for the determination of oxomemazine in human plasma. Prior to injection, 0.5 mL of plasma spiked with metronidazole (internal standard) was mixed with ammon…
Abstract Electrochemical copolymerization of a binary mixture of pyrrole and 2‐amino‐4‐phenylthiazole on platinum electrode in acid medium was carried out. The kinetic parameters were calculated using ex situ microgravimetric and electrochemical data. The experimentally obtained kinetic equations were R P,W = k W [aci…
Abstract In vitro studies have been carried on semiinterpenetrating polymer network (IPN) beads of chitosan–alanine as carrier for the controlled release of chlorpheniramine maleate (CPM) drug. A viscous solution of chitosan–alanine was prepared in 2% acetic acid solution, extruded as droplets by a syringe to NaOH–met…
Abstract Poly(methyl methacrylate) (PMMA) was applied to polyester fabric using a surface analog of emulsion polymerization. The admicellar polymerization was carried out using 1.5 m M dodecylbenzenesulfonic acid (DBSA) at pH 4 with 0.15 M NaCl, 1 : 8 DBSA:monomer, and 1 : 10 initiator:monomer molar ratio. The PMMA fi…
We develop a novel linear-scaling [O(N)] algorithm for calculating the optical dielectric constant and Born effective charge. Our method relies on the fact that only the sum of the nondiagonal parts of the electric field perturbation in solids contributes to the first-order derivative density matrix, which can then be…
Abstract This study aims to explore the joint effects of specific β‐nucleation and rubber dispersion on morphology and mechanical behavior of materials derived from isotactic polypropylene. A β‐nucleator ( N , N ′‐dicyclohexylnaphthalene‐2,6‐dicarboxamide) and an amorphous EPM rubber were used for the modification of…
Abstract This article reports the effect of three cobalt carboxylates—cobalt stearate (CoSt 3 ), cobalt palmitate (CoPal 3 ), and cobalt laurate (CoLau 3 )—on the thermo‐oxidative degradation of low‐density polyethylene (LDPE) films prepared by sheeting process. The carboxylates were blended with LDPE in the concentra…
Abstract Surface treatment of mulberry silk was carried out using a VUV excimer lamp (172 nm). The changes occurring in morphology and physical properties of silk were studied. The nanopores created on the surface of treated samples were quantitatively analyzed using a high resolution scanning electron microscope. The…
Naturally occurring carbon-nanotube heterojunctions provide a unique opportunity for studying nearly one-dimensional metal–semiconductor (M–S) interfaces. Coupling the nanoscale lateral precision of the ultrahigh-vacuum STM with spatially-resolved electronic measurements enables detailed characterization of a single-w…
Abstract The time effect of ultrasonication was investigated for dispersing carbon nanofibers (CNFs) into a polycarbonate (PC) matrix on the mechanical properties of thus‐produced composites. The effects of CNF surface modification by plasma treatment and the CNF concentration in composites on their mechanical propert…
We have studied the effect of an anisotropic polymer network on the coupling of molecular tilt to applied electric field in the chiral S{A} phase. The polymer network is formed from a photoreactive achiral monomer in a thin planar S{C}{*} cell. Experimental data, obtained from electro-optical measurements near to the…