Synthesis,Crystal, and Electronic Structure of the New Ternary Zintl Phase Eu2–xMg2–yGe3 (x = 0.1; y = 0.5)

The new ternary phase Eu_2–xMg_2–yGe₃ (x = 0.1, y = 0.5) was obtained by solid‐state synthesis and the structure determined by means of Single Crystal X‐ray Diffraction. The compound crystallizes with the orthorhombic space group Cmcm (no. 63) having structural features of the low‐temperature modification of LaSi. The crystal structure contains two different types of germanium anions: isolated Ge^4– and $\rm^{2}_{\infty}$ [Ge^2–x–y] chains. The cation substructure is partially disordered and is best represented assuming a split position. The chemical bonding is well represented by the Zintl‐Klemm concept. Resistivity measurements reveal that the compound is metallic. DFT band structure calculations were carried out on the ideal stoichiometric compound Eu₂Mg₂Ge₃, showing that this model (x = 0; y = 0) would be also metallic as a consequence of the ecliptic stacking of anions. Susceptibility and specific heat measurements evidence the presence of weak, and probably frustrated, antiferromagnetic interactions between disordered europium atoms.     

Hierarchical dendritic gold microstructure-based aptasensor for ultrasensitive electrochemical detection of thrombin using functionalized mesoporous silica nanospheres as signal tags

A sensitive electrochemical approach for the detection of thrombin was designed by using densely packed hierarchical dendritic gold microstructures (HDGMs) with secondary and tertiary branches as matrices, and thionine-functionalized mesoporous silica nanospheres as signal tags. To prepare the signal tags, the positively charged thionine (as an indicator) was initially adsorbed onto the mesoporous silica nanoparticles (MSNs). Then [AuCl₄]⁻ ions were in situ reduced on the thionine-modified MSNs by ascorbic acid to construct nanogold-decorated MSNs (GMSNs). The formed GMSNs were employed as label of the aminated aptamers. The assay was carried out in PBS, pH 7.4 with a sandwich-type assay mode by using the assembled thionine in the GMSNs as indicators. Compared with the pure silica nanoparticles, mesoporous silica could provide a larger surface for the immobilization of biomolecules and improve the sensitivity of the aptasensor. Under optimal conditions, the electrochemical aptasensors exhibited a wide linear range from 0.001 to 600 ng mL⁻¹ (i.e. 0.03 pM to 0.018 μM thrombin) with a low detection limit (LOD) of 0.5 pg mL⁻¹ (≈15 fM) thrombin at 3σ. No obvious non-specific adsorption was observed during a series of analyses to detect target analyte. The precision, selectivity and stability of the aptasensors were acceptable. Importantly, the methodology was evaluated with thrombin spiked samples in blank fetal calf serum, and the recoveries were 94.2–112%, indicating an exciting potential for thrombin detection.     

DFT‐aided interpretation of the Raman spectra of the polymorphic forms of Y2Si2O7

Y₂Si₂O₇ is an intriguing material combining a complex structural polymorphism with several important technological applications. Raman spectra were experimentally determined for most of the seven known modifications of Y₂Si₂O₇ except the form ε, and in the case of β, γ, δ and ζ for the first time. The error‐prone procedure of mode assignment to the measured Raman bands, usually done by comparison with similar or related structures, has been replaced by quantum chemical calculations of the spectra of the polymorphs. Various functionals were evaluated considering the agreement of the calculated modes with the experimental data. The average and maximum deviations between calculated and experimental spectra are ± 8 cm⁻¹ and 20 cm⁻¹, respectively. Assignments of most of the observed bands to vibrational modes are given. The relationship between selected Raman bands, Si O and Y O polyhedra stretching and bending modes, and the crystal structures are discussed. Y₂Si₂O₇ offers the possibility to study the relationship between structural and spectral changes in a chemically fixed system. Copyright © 2010 John Wiley & Sons, Ltd.     

Material modifications induced by swift heavy ions in NbTi superconducting wires

The Facility for Antiproton and Ion Research (FAIR) to be built at GSI in Darmstadt will be equipped with superconducting magnets. Due to the high ion beam intensities and related beam losses, radiation damage of the Cu/NbTi superconducting wires used in the magnet coils has to be considered. Here we report first experimental results on NbTi multifilament wires exposed to 2.6 GeV U ions at room temperature. Radiation-induced effects were examined using X-ray diffraction and transmission electron microscopy. With increasing ion fluence the amount of the α-Ti phase decreases. This is crucial because α-Ti precipitates are the main flux-pinning centres in the Nb–Ti superconducting alloy. The equilibrium hcp α-Ti transforms into the hexagonal ω-Ti phase.     

Stability study of a model for the Klein–Gordon equation in Kerr space-time

The current early stage in the investigation of the stability of the Kerr metric is characterized by the study of appropriate model problems. Particularly interesting is the problem of the stability of the solutions of the Klein–Gordon equation, describing the propagation of a scalar field of mass $\mu $ in the background of a rotating black hole. Rigorous results prove the stability of the reduced, by separation in the azimuth angle in Boyer–Lindquist coordinates, field for sufficiently large masses. Some, but not all, numerical investigations find instability of the reduced field for rotational parameters $a$ extremely close to $1$ . Among others, the paper derives a model problem for the equation which supports the instability of the field down to $a/M \approx 0.97$ .     

Stationary Solutions of Compressible Navier–Stokes Equations with Slip Boundary Conditions

We consider the Navier–Stokes equations for a compressible, viscous fluid with heat–conduction in a bounded domain of IR² or IR³. Under the assumption that the external force field and the external heat supply are small we prove the existence and local uniqueness of a stationary solution satisfying a slip boundary condition. For the temperature we assume a Dirichlet or an oblique boundary condition.     

On the computation of fixed points in Boolean networks

In this paper we study the problem of finding fixed points of AND-NOT Boolean networks and relate it to the problem of finding maximal independent sets of a graph. Furthermore, we provide a sharp upper bound for the number of fixed points of normal AND-NOT Boolean networks. We also show that any AND-NOT Boolean network can be transformed into a normal AND-NOT Boolean network.     

Study of detached back reflector designs for thin‐film silicon solar cells

We present a precise and flexible method to investigate the impact of diverse detached reflector designs on the optical response of p–i–n thin‐film silicon solar cells. In this study, the term detached reflectors refers to back reflectors that are separated from the silicon layers by an intermediate rear dielectric of several micrometers. Based on the utilization of a highly conductive n‐doped layer and a local electrical contact scheme, the method allows the use of non‐conductive rear dielectrics such as air or transparent liquids. With this approach, diverse combinations of back reflector and rear dielectric can be placed behind the same solar cell, providing a direct evaluation of their impact on the device performance. We demonstrate the positive effect of a rear dielectric of low refractive index on the light trapping and compare the performance of solar cells with an air/Ag and a standard ZnO/Ag back reflector design. (© 2012 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)