Materials Literature
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In this work, we present our theoretical results for the equation of state and the phonon dispersions of MnAs, as well as the Mn concentration dependence of both the lattice parameter and the phonon frequencies of the cubic GaMnAs alloys. The results are in good agreement with the experimental results whenever this co…
We present a coarse molecular-dynamics (CMD) approach for the study of stress-induced structural transformations in crystals at finite temperatures. The method relies on proper choice of a coarse variable (order parameter, observable), which parameterizes the changes in effective free energy during the transformation.…
We report tunnel magnetoresistance (TMR) ratios as high as 472% at room temperature and 804% at 5 K in pseudo-spin valve (SV) CoFeB/MgO/CoFeB magnetic tunnel junctions (MTJs) annealed at 450oC, which is approaching the theoretically predicted value. By contrast, the TMR ratios for exchange-biased (EB) SV MTJs with a M…
Recently, interest in electrochemical formation of hydroxyapatite has evolved. In this work, highly crystalline hydroxyapatite is electrodeposited on pure titanium and Ti-6Al-4V alloy. In situ and ex situ imaging, coupled with potentiostatic and potentiodynamic measurements, is conducted by means of electrochemical at…
The nanocomposites described here all involve polymers and were chosen because they are already of commercial importance, show some promise of becoming so, or simply seem interesting. The field is so broad that some topics are mentioned only very briefly, and there is considerable emphasis on the polysiloxane nanocomp…
The series of Pb(9.6)Sb(0.2)Te(10)(-)(x)Se(x) compounds with different Se content (x) were prepared, and their structure was investigated at the atomic and nanosized regime level. Thermoelectric properties were measured in the temperature range from 300 to 700 K. The Pb(9.6)Sb(0.2)Te(10)(-)(x)Se(x) series was designed…
Abstract The aim of this paper is twofold: first to report on the lateral and vertical characterisation of a surface chemical gradient of carboxylic‐acid functionality and second, to demonstrate the use of said gradient to probe the passive adsorption of immunoglobulin G (IgG) as a function of the density of surface c…
The structural flexibility and efficacy of thiourea−amine catalysts for the supramolecular activation and ring-opening polymerization (ROP) of lactide are described. The nature of the hydrogen bonding group and its strength as well as the steric congestion have been altered, leading to shorter polymerization times, be…
We describe a promising and flexible technique for fabricating uniform nonspherical particles with anisotropic phase and surface properties. Our approach is based on the seeded polymerization technique in which monomer-swollen particles are polymerized. The polymerization causes a phase separation to occur, giving ris…
A tight-binding model is used to calculate the band structure of bilayer graphene in the presence of a potential difference between the layers that opens a gap $\ensuremath{\Delta}$ between the conduction and valence bands. In particular, a self-consistent Hartree approximation is used to describe imperfect screening…
Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Abstract Poly(trimethylene terephthalate) (PTT) was prepared by the ring‐opening polymerization of its cyclic dimer. Antimony(III) oxide, titanium(IV) butoxide, dibutyltin oxide, and titanium(IV) isopropoxide were used as catalysts. Among the catalysts, titanium(IV) butoxide was the most effective for the same reactio…
We investigate charge pumping in semiconducting carbon nanotubes by a travelling potential wave on the surface of a piezoelectric quartz substrate. We estimate the magnitude and profile of the potential wave as its passes the nanotubes and show how this results in the pumping of charge in packets. By tuning the potent…
The present work reports isothermal gas/solid equilibration kinetics for Nb-doped TiO(2) (0.65 atom %) at elevated temperatures (1073-1298 K) within narrow ranges of oxygen activity spanning between 10(-13) Pa and 75 kPa. The equilibration kinetics were monitored using electrical conductivity measurements. The kinetic…
Abstract Dense, lead‐free ceramics with composition of (K 0.5 Na 0.5 ) 0.96 Sr 0.02 Nb 1– x Mn x O 3 ( x = 0, 0.01, 0.02, 0.03, 0.04) were successfully prepared by a conventional mixed‐oxide method. The X‐ray diffraction patterns revealed pure peroveskite structure after Mn doping as compared to the original compositi…
We introduce a robust and efficient methodology to solve the Ornstein-Zernike integral equation using the pseudoarc length (PAL) continuation method that reformulates the integral equation in an equivalent but nonstandard form. This enables the computation of solutions in regions where the compressibility experiences…
Phytochemical screening of the roots of Gomphrena macrocephala, with particular attention to its triterpene glycoside constituents, has resulted in the isolation of two new oleanane glycosides (1 and 2) and a new taraxerane glycoside (3). The structures of 1-3 were determined as 11alpha,12alpha-epoxy-3beta-[(O-beta-D-…
The basic science in quantum transport of nano-scaled 'devices' is largely based on the availability of suitable model systems . Nanostructures built from conventional metals are typically in the diffusive transport regime. Semiconductors, as the starting material for nanodevices, are different. Because of the low car…
Density functional theory is employed to study Pd and Pd/Ni alloy monatomic chain-functionalized metallic single walled carbon nanotubes (SWNT(6,6)) and semiconducting SWNT(10,0), and their interactions with hydrogen molecules. The stable geometries and binding energies have been determined for both isolated chains an…