Materials Literature
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Lithium cations sit in the center of the oxygen "windows" defined by the vertex-sharing TiO(6) octahedra of the title compound (see picture), as shown from neutron diffraction data. The octahedra are tilted to optimize the bond distances between the atoms. The unusual coordination and the partially unoccupied sublatti…
To clarify the CO-tolerant mechanism at Pt-based alloy anode catalysts, surface-enhanced infrared reflection−absorption spectroscopy with the attenuated total reflection technique (ATR-SEIRAS), coupled with CV measurement, was used to observe the oxidation process of adsorbed CO on a typical Pt−Fe (Pt−Fe = 0.27/0.73)…
A new series of hybrid organometallic - inorganic layered magnets with the formula [Z(III)Cp*2][M(II)M(III)(ox)3] (Z(III) = Co, Fe; M(III) = Cr, Fe; M(II) = Mn, Fe, Co, Cu, Zn; ox = oxalate; Cp* = pentamethylcyclopentadienyl) has been prepared. All of these compounds are isostructural and crystallize in the monoclinic…
Geometries and band gaps of polyaniline oligomers up to decamer have been systematically calculated and analyzed using various computational techniques such as molecular mechanics, semiempirical, and ab initio methods. On the basis of fully optimized geometries of neutral and charged forms of polyaniline oligomers, ex…
The ring-opening polymerization of ethylene carbonate (EC) using KOH as initiator was investigated by changing the EC/KOH ratios and the reaction temperatures. The ratio of the rate of polymerization to chain scission increases as the temperature rises. Hydrolysis results and polymer composition data indicate that pol…
The Fe_{x}Co_{1-x}S_{2} system is predicted, on the basis of density functional calculations, to be a half metal for a large range of concentrations. Unlike most known half metals, the half metallicity in this system should be very stable with respect to crystallographic disorder and other types of defects. The endmem…
Co/Al 2 O 3 catalysts have been prepared with conventional impregnation and sol−gel methods to vary the chemical reactivity of the alumina support. The material system has been investigated with X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), diffuse reflectance Fourier transform spectroscopy…
Hollow capsules of nanometer to micrometer dimensions constitute an important class of materials that are employed in diverse technological applications, ranging from the delivery of encapsulated products for cosmetic and medicinal purposes to their use as light-weight composite materials and as fillers with low diele…
A Widom form of the equation of state taking into account non-Landau invariants for triglycine sulphate (TGS) ferroelectric is proposed. The experimental values of the invariant Q and the exponents and are crucial for the determination of this equation. It is shown to be not derivable from the existing theories based…
A new organometallic “cold−slow” route to strongly fluorescing CdTe/CdS (core−shell) colloids and transparent films is presented. Based on the optical absorption, fluorescence, FTIR, micro-Raman, XPS, and XRD data collected on these nanostructures before and after thermal annealing, a mechanistic path of the core−shel…
The solubility of sodium dimethyl isophthalate-5-sulfonate in water and in a mixed solvent (water + methanol) containing sodium sulfate was determined from 292.7 K to 360.0 K. Sodium sulfate has a salting out effect on the solubility of sodium dimethyl isophthalate-5-sulfonate in water. The results were correlated by…
The orthorhombic NdMnO 3 perovskite (space group Pnma ) has been studied on the basis of magnetization and neutron powder diffraction (NPD) data. Magnetization measurements suggest the coexistence of ferromagnetic and antiferromagnetic interactions: magnetization versus magnetic field curves present a remnant magnetiz…
It is shown that oxidized La 0.5 Sr 0.5 (Mn 3+ 0.5 Mn 4+ 0.5 )O 3 and reduced Pr 0.5 Ba 0.5 Mn 3+ O 2.75 samples show similar magnetic and magnetoresistive properties. Both compounds, characterized by T C γ 320 K, exhibit a ferromagnetic-antiferromagnetic transition around 200 K, where a large magnetoresistance develo…
Magnetic anisotropy of uranium monochalcogenides, US, USe and UTe, is studied by means of fully-relativistic spin-polarized band structure calculations within the local spin-density approximation. It is found that the size of the magnetic anisotropy is fairly large (about 10 meV/unit formula), which is comparable with…
Charge-ordered phases of rare earth manganates are novel manifestations arising from interactions between the charge carriers and phonons, giving rise to the localization of carriers at specific sites in the lattice below a certain temperature. Accompanying this phenomenon, the Mn 3+ (e g ) orbitals and the associated…
Nanoparticles of gold, platinum, and silver were prepared by reduction of their metal salts with NaBH 4 in the presence of poly(amidoamine) dendrimers. The dendrimers used were generation 3, 4, and 5 having surface amino group (G3, G4, and G5) as well as generation 3.5, 4.5, and 5.5 having surface carboxyl group (G3.5…
Atomistic calculations for the 112 -generalized stacking fault (GSF) energy curve are performed for various embedded atom models of FCC metals. Models include those by Voter and Chen; Angelo, Moody and Baskes; Oh and Johnson; Mishin and Farkas; and Ercolessi and Adams. The resulting curves show similar characteristics…
This report presents the results of steady-state and time-resolved luminescence measurements performed on suspensions of nanocrystalline ZnO particles of different sizes and at different temperatures. In all cases two emission bands are observed. One is an exciton emission band and the second an intense and broad visi…
The absorption of electromagnetic waves by a high mobility two-dimensional electron gas subjected to a magnetic field and a weak periodic potential is investigated. We show that the periodic modulation on the Laudau states has a profound effect on the absorption of electromagnetic waves. We develop a formalism which t…
The potential biomedical utility of the photoinduced destabilization of liposomes depends in part on the use of green to near infrared light with its inherent therapeutic advantages. The polymerization of bilayers can be sensitized to green light by associating selected amphiphilic cyanine dyes, i.e. the cationic 1,1'…