Al3+, Ca2+, Mg2+, and Li+ in aqueous solution: calculated first-shell anharmonic OH vibrations at 300 K

The anharmonic OH stretching vibrational frequencies, ν(OH), for the first-shell water molecules around the Li(+), Ca(2+), Mg(2+), and Al(3+) ions in dilute aqueous solutions have been calculated based on classical molecular dynamics (MD) simulations and quantum-mechanical (QM) calculations. For Li(+)(aq), Ca(2+)(aq), Mg(2+)(aq), and Al(3+)(aq), our calculated IR frequency shifts, Δν(OH), with respect to the gas-phase water frequency, are about -300, -350, -450, and -750?cm(-1), compared to -290, -290, -420, and -830?cm(-1) from experimental infrared (IR) studies. The agreement is thus quite good, except for the order between Li(+) and Ca(2+). Given that the polarizing field from the Ca(2+) ion ought to be larger than that from Li(+)(aq), our calculated result seems reasonable. Also the absolute OH frequencies agree well with experiment. The method we used is a sequential four-step procedure: QM(electronic) to make a force field+MD simulation+QM(electronic) for point-charge-embedded M(n+) (H(2)O)(y) (second?shell) (H(2)O)(z) (third?shell) clusters+QM(vibrational) to yield the OH spectrum. The many-body Ca(2+)-water force-field presented in this paper is new. IR intensity-weighting of the density-of-states frequency distributions was carried out by means of the squared dipole moment derivatives.     

Bismuth modified Pd/C as catalysts for hydrogen related reactions

The electrocatalytic activity of bimetallic BiPd catalysts supported on Sibunit carbon towards hydrogen oxidation/evolution reactions (HOR/HER) was studied in a gas diffusion electrode (GDE) setup. Catalysts were synthesized by deposition of Pd on the carbon support, followed by impregnation of Pd/C precursor with Bi(NO₃)₃ solution and reduction in hydrogen. Transmission electron microscopy and local EDX elemental analysis revealed that BiPd/C catalysts contain bimetallic particles with narrow size distribution with maxima at 3.2–4.1 nm. X-ray diffraction evidenced that bimetallic particles are constituted by Pd–Bi solid solution. It was shown that modification of Pd/C by bismuth increases the specific activity of palladium towards HOR/HER by a factor of 3.     

Novel ‘Nano in Nano’ Composites for Sustained Drug Delivery: Biodegradable Nanoparticles Encapsulated into Nanofiber Non‐Wovens

Novel ‘nano in nano’ composites consisting of biodegradable polymer nanoparticles incorporated into polymer nanofibers may efficiently modulate drug delivery. This is shown here using a combination of model compound‐loaded biodegradable nanoparticles encapsulated in electrospun fibers. The dye coumarin 6 is used as model compound for a drug in order to simulate drug release from loaded poly(lactide‐co‐glycolide) nanoparticles. Dye release from the nanoparticles occurs immediately in aqueous solution. Dye‐loaded nanoparticles which are encapsulated by electrospun polymer nanofibers display a significantly retarded release.

     

On the stability of Archimedean tilings formed by patchy particles

We have investigated the possibility of decorating, using a bottom-up strategy, patchy particles in such a way that they self-assemble in (two-dimensional) Archimedean tilings. Except for the trihexagonal tiling, we have identified conditions under which this is indeed possible. The more compact tilings, i.e., the elongated triangular and the snub square tilings (which are built up by triangles and squares only) are found to be stable up to intermediate pressure values in the vertex representation, i.e., where the tiling is decorated with particles at its vertices. The other tilings, which are built up by rather large hexagons, octagons and dodecagons, are stable over a relatively large pressure range in the centre representation where the particles occupy the centres of the polygonal units.     

Interlayer coupling between out-of-plane magnetized multilayers across a thin antiferromagnetic spacer

The interlayer exchange coupling between Co/Pt perpendicular-to-plane magnetized layers across a thin IrMn spacer layer was experimentally studied. In contrast to earlier studies on interlayer coupling through antiferromagnetic NiO, which revealed an oscillatory coupling behavior as a function of NiO thickness, a ferromagnetic coupling was observed here in the range of IrMn thickness between 0.6 and 1.5 nm and antiferromagnetic between 1.5 and 2.5 nm. The antiferromagnetic coupling is attributed to an orange peel magnetostatic mechanism whereas the ferromagnetic coupling is attributed to an out-of-plane polarization of the antiferromagnetic IrMn layer induced by the interfacial exchange interaction with the adjacent out-of-plane ferromagnetic layers. Measurements of hysteresis loops versus temperature show that the coupling vanishes at 510 K for t_IrMn=1 nm. This critical temperature is far below the Néel temperature of bulk IrMn, but above the blocking temperature of IrMn/Co bilayers at such thickness. Using a one-dimensional model describing a partial domain wall in the antiferromagnet, we explain the coupling in terms of an out-of-plane tilt of the Mn moments at the IrMn/(Co/Pt) interfaces yielding a weak net polarization of the IrMn. Finally, the non-oscillatory decay of the coupling was attributed to the compensated spin structure of the IrMn in the parallel to the interfaces.     

Higher class field theory and the connected component

In this note we present a new self-contained approach to the class field theory of arithmetic schemes in the sense of Wiesend. Along the way we prove new results on space filling curves on arithmetic schemes and on the class field theory of local rings. We show how one can deduce the more classical version of higher global class field theory due to Kato and Saito from Wiesend??s version. One of our new results says that the connected component of the identity element in Wiesend??s class group is divisible if some obstruction is absent.     

Beitrag zur Kenntnis des Diacetonamins

Ohne Zusammenfassung     

Photocurrent measurements for laterally resolved interface characterization

A miniaturized optical set-up based on a CD-ROM player optic was developed for LAPS (light addressable potentiometric sensors). A focus of 2.6 μm was achieved using this easy to handle device. The lateral resolution of LAPS measurements can be improved by using GaAs as the semiconductor material instead of Si. The diffusion length of the minority charge carriers was determined to be smaller than 3.1 μm. A new method called SPIM (scanning photo-induced impedance microscopy) is described. Using this technique, the impedance of thin films can be measured with lateral resolution.     

Semiconductor saturable absorber mirror structures with low saturation fluence

We present two novel semiconductor saturable absorber mirror (SESAM) designs which can exhibit more than ten times lower saturation fluence than classical SESAM devices. Design considerations and characterization data are presented. These devices are particularly suited for passively mode-locked lasers with ultra-high repetition rates.