Materials Literature
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We present a multiscale model of GeSe 2 glass structure, where interatomic potentials are calculated using Møller–Plesset perturbation theory and a cluster expansion approach. The ab initio calculations are fit to continuous functions and used in a classical Monte Carlo simulation of 1200 atoms. The resulting GeSe 2 g…
Yttrium aluminum garnet (YAG) nanopowders doped with high neodymium (Nd) content (3 at.%) were synthesized by the sol–gel processing of (i) alkoxide precursors and (ii) metal chelates formed by complexing the cations with polyethylene glycol. A stoichiometric YAG composition was obtained following both procedures; how…
The physical properties of parkerite and its related compound, Bi(2)Ni(3)X(2) (X = S, Se), were studied. The electrical resistivity of both compounds shows typical metallic behaviour up to 400 K. The resistivity and specific heat measurements at low temperatures reveal that these compounds are superconducting with a t…
The use of cells as therapies for disease, repair and regeneration of tissues is one of the new challenges in modern therapeutics. To facilitate the ability to localise, condition and protect cells, biodegradable scaffolds are being developed that will improve the efficiency of these treatments. Thus, cell delivery sy…
Dark-green platy crystals of the new compound Pb31O22Br10Cl8 (1) have been obtained by rapid quenching of a lead oxide halide melt. The structure of 1 (triclinic, P1, a = 12.1192(7) angstroms, b = 16.2489(10) angstroms, c = 18.3007(11) angstroms, alpha = 93.104(2) degrees, beta = 95.809(2) degrees, gamma = 111.252(1)…
We have studied the magnetic properties of (57)Fe-doped NiO nanoparticles using Mössbauer spectroscopy and magnetization measurements. Two samples with different degrees of interparticle interaction were studied. In both samples the particles were characterized by high-resolution transmission electron microscopy and x…
Electric fields inside guided-mode resonance filters (GMRFs) may be intensified by resonance effects. The electric field enhancement is investigated in two GMRFs: one is resonant at normal incidence, the other at oblique incidence. It is shown that the two GMRFs exhibit different behaviors in their electric enhancemen…
We have studied the crystal structure and magnetic properties of the organic radical cation salt, BBDTA.InCl4. This material formed a one-dimensional coordination polymer. Magnetic measurements indicated the spin-Peierls transition-like behavior at 108 K, which was higher than those typically observed for the other or…
Abstract The effects of pristine and amino‐functionalized multiwalled carbon nanotubes (MWNTs) on the crystallization behaviors of nylon‐6 were investigated by differential scanning calorimetry and X‐ray diffraction. The results indicate the presence of polymorphism in nylon‐6 and its composites, which is dependent on…
Crystallization of the thiazole-derivative (BPT) was performed by adding water, which is an antisolvent for the solute, to methanol solutions of BPT. BPT has three polymorphs (A, B, C) and two solvates (BH(hydrate) and D(methanolate)). The effect of temperature on the polymorphic crystallization and transformation beh…
The present research describes a modified sol–gel technique used to obtain nano‐crystalline lead zirconate titanate (PZT) powders by using triethanolamine (TEA) as a polymerizing agent. The metal ions chemically interacted with TEA in the precursor sol and gel under refluxing conditions. Drying and aging treatments le…
The effect of the shell thickness on stimulated emission and photoinduced absorption transitions in $\mathrm{CdSe}$ quantum rods is investigated by femtosecond pump and probe spectroscopy. The role of surface/interface defect states, which result resonant to the high energy states and to the midgap, respectively, is p…
Studies investigating the role of species diversity in sustaining key ecosystem processes, such as primary production, have until now mainly focused on terrestrial plant and soil communities. Although the relationship remains controversial, most evidence suggests that decreases in species diversity adversely affect ec…
Cylinder-forming poly(styrene- b -methyl methacrylate) (PS- b -PMMA) thin films were directed to assemble on chemically nanopatterned surfaces consisting of alternating stripes that were preferentially wet by the two blocks of the copolymer. The cylindrical domains oriented in the plane of the film and formed defect-f…
Density functional theory and a pseudopotential plane wave method are applied to study electronic and structural properties of the defect-free TiO(2)(110) surface. The variations of the surface energy, work function, and atomic displacements are examined for partially and fully relaxed slabs modelling the rutile (110)…
We report passivation of CdSe and CdSe/ZnS nanocrystals (NCs) with poly( N, N -dimethylaminoethyl methacrylate) (PDMA) through a ligand exchange process. We present the results from various techniques that were used to verify that ligand exchange occurred, including 1 H NMR, 31 P NMR, and changes in solubility/colloid…
This article reviews the microscopic origin of properties due to transition-metal (TM) impurities, M, in insulator materials. Particular attention is paid to the influence of pressure upon impurity properties. Basic concepts such as the electronic localization in an MX(N) complex, the electrostatic potential, V(R), ar…
Size effects on domain configuration and polarization switching in two-dimensional epitaxial ferroelectric islands and in thin films are investigated by using a continuum phase field model that incorporates long-range elastic and electrostatic interactions. The simulations exhibit spatial polarization distributions wi…
The development of surface plasmon polariton (SPP) optical elements is mandatory in order to achieve surface plasmon based photonics. A current approach to reach this goal is to take advantage of the interaction of SPP with defects and design elements obtained by the micro- or nano-structuration of the metal film. In…
The double perovskites ${\mathrm{Sr}}_{2}\mathrm{Fe}M{\mathrm{O}}_{6}$ $(M=\mathrm{Re},\mathrm{Mo})$ belong to the important class of half-metallic magnetic materials. In this study we explore the effect of replacing the electronic $5d$ buffer element Re with variable valency by the main group element Sb with fixed va…