Materials Literature
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Manganese oxide species (MnO(x)) have been intercalated within the gallery spaces of Mg-Al layered double hydroxides (LDHs). Synthesis of these materials was achieved by ion-exchange of the LDH-nitrate precursor with permanganate anion followed by reduction with organic reagents, such as glucose, ethanol, and ascorbic…
Gradient surfaces are widely employed in biological studies for protein adsorption and cell attachment and growth. They also offer great potential in the areas of fluid flow and combinatorial experimental design for obtaining material properties and behaviors. Gradient surfaces are created with organosilanes by using…
A novel asymmetric monosubstituted 1,10-phenanthroline, Hophen.0.5 H(2)O (1, Hophen=1H-[1,10]phenanthrolin-2-one), was generated by a facile route, and a novel class of crystalline, d(10)-metal, monomeric or oligomeric complexes of this ligand, namely [Hg(ophen)(2)].4 H(2)O.CH(2)Cl(2) (2), [Cd(3)Cl(ophen)(5)].1.5 H(2)…
Abstract Although tetrathiafulvalene and its derivatives have been extensively studied as π‐electron donors in the fields of molecular organic metals and electrically conducting materials for more than 30 years, the intriguing potential of tetrathiafulvalene as a building block in molecular and supramolecular chemistr…
Preface 1. ELECTROMAGNETIC FIELDS 2. Green's functions and retarded potentials 3. Time-harmonic fields 4. Models of materials with memory 5. THERMODYNAMICS OF SIMPLE ELECTROMAGNETIC SYSTEMS 6. Thermoelectromagnetic systems 7. Existence and uniqueness 8. Wave propagation 9. Extremum principles 10. PROBLEMS IN NONLINEAR…
Highly ordered mesoporous silica materials are hydrothermally synthesized at high temperature by using fluorocarbon–hydrocarbon surfactant mixtures as templates. Because of the high temperature of the synthesis, the obtained materials show complete silica condensation, which give rise to ultra-stabile structures. JLU-…
The E. coli nitroreductase enzyme (NTR) has been widely used in suicide gene therapy (GDEPT and ADEPT) applications as a activating enzyme for nitroaromatic prodrugs of the dinitrobenzamide class. NTR has been previously shown to be a homodimeric enzyme with two active sites. We present here the crystal structures of…
Hoch geordnete, mesoporöse SiO2-Strukturen wurden durch Hydrothermalsynthese mit Fluoralkan/Alkan-Tensid-Mischungen als Templaten erhalten. Aufgrund der hohen Reaktionstemperatur ist die Silicatkondensation vollständig, und die Produkte sind besonders stabil. JLU-20 z. B. (siehe TEM-Bild einer calcinierten Probe) hat…
We present results for the optical absorption spectra of small-diameter single-wall carbon and boron nitride nanotubes obtained by {\it ab initio} calculations in the framework of time-dependent density functional theory. We compare the results with those obtained for the corresponding layered structures, i.e. the gra…
Magnetic junction is considered which consists of two ferromagnetic metal layers, a thin nonmagnetic spacer in between, and nonmagnetic lead. Theory is developed of a magnetization reversal due to spin injection in the junction. Spin-polarized current is perpendicular to the interfaces. One of the ferromagnetic layers…
The path integral formalism is applied to derive the full partition function of a generalized Su-Schrieffer-Heeger Hamiltonian describing a particle motion in a bath of oscillators. The electronic correlations are computed versus temperature for some choices of oscillators energies. We study the perturbing effect of a…
We present first-principles calculations of ballistic spin injection in Fe/GaAs and Fe/ZnSe junctions with orientation (001), (111), and (110). We find that the symmetry mismatch of the Fe minority-spin states with the semiconductor conduction states can lead to extremely high spin polarization of the current through…
An electromagnetic (EM) Bloch wave propagating in a photonic crystal (PC) is characterized by the immittance (impedance and admittance) of the wave. The immittance is used to investigate transmission and reflection at a surface or an interface of the PC. In particular, the general properties of immittance are useful f…
Carrier-mediated ferromagnetism in a dilute magnetic semiconductor has been studied using i) a single-impurity based generalized RKKY approach which goes beyond linear response theory, and ii) a mean-field-plus-spin-fluctuation (MF+SF) approach within a (purely fermionic) Hubbard-model representation of the magnetic i…
The electron density, its gradient, and the Kohn-Sham orbital kinetic energy density are the local ingredients of a meta-generalized gradient approximation (meta-GGA). We construct a meta-GGA density functional for the exchange-correlation energy that satisfies exact constraints without empirical parameters. The excha…
We study the shape and growth rate of necks between sintered spheres with dissolution-precipitation dynamics in the reaction-limited regime. We determine the critical shape that separates those initial neck shapes that can sinter from those that necessarily dissolve, as well as the asymptotic evolving shape of sinters…
In this paper we discuss the phenomenon of resonance that we predict will occur when a superconducting coil is submitted simultaneously to a magnetic field and to an external force. When both the force and the magnetic field are constant in time the coil should oscillate mechanically around an equilibrium position lik…
The crystal and magnetic structures of ${\mathrm{LaTiO}}_{3}$ have been studied by x-ray and neutron-diffraction techniques using nearly stoichiometric samples. We find a strong structural anomaly near the antiferromagnetic ordering ${T}_{N}=146\mathrm{K}.$ In addition, the octahedra in ${\mathrm{LaTiO}}_{3}$ exhibit…
Two macromonomers containing ethylene oxide (EO) segments with different degrees of polymerization (DP PEO = 5 and 23), capped by a methoxy and a methacrylate group (PEOMA), were polymerized by atom transfer radical polymerization (ATRP) in organic solvents. In addition to the direct preparation of densely grafted bru…
We report here on a theoretical model for the electronic structure and transport properties of superlattice nanowires, considering their cylindrical wire boundary and multiple anisotropic carrier pockets. The thermoelectric properties of superlattice nanowires made of various lead salts (PbS, PbSe, and PbTe) are inves…