A novel monochromator for experiments with ultrashort X‐ray pulses

Aiming at advancing storage‐ring‐based ultrafast X‐ray science, over the past few years many upgrades have been undertaken to continue improving beamline performance and photon flux at the Femtoslicing facility at BESSY II. In this article the particular design upgrade of one of the key optical components, the zone‐plate monochromator (ZPM) beamline, is reported. The beamline is devoted to optical pump/soft X‐ray probe applications with 100 fs (FWHM) X‐ray pulses in the soft X‐ray range at variable polarization. A novel approach consisting of an array of nine off‐axis reflection zone plates is used for a gapless coverage of the spectral range between 410 and 1333 eV at a designed resolution of E/ΔE = 500 and a pulse elongation of only 30 fs. With the upgrade of the ZPM the following was achieved: a smaller focus, an improved spectral resolution and bandwidth as well as excellent long‐term stability. The beamline will enable a new class of ultrafast applications with variable optical excitation wavelength and variable polarization.     

Spin-orbit interaction in molecular photoelectron spectra An intermediate coupling approach

A new and general semiempirical method for calculating ionization energies of molecules containing heavy atoms is presented. The extended Hückel hamiltonian is amended with a phenomenological one-electron spin-orbit interaction operator, and ionization energies are equated to orbital energies according to Koopmans' theorem. Calculations are presented for molecules with Br and I as heavy atoms. The systems considered are the hydrogen halides, diatomic halogens and interhalogens, haloacetylenes, halomethanes, and boron trihalides. Good agreement with the observed spin-orbit splitting is obtained. New assignments are proposed for the trihalides considered.     

Meromorphic extensions of regular holonomic distributions

In this paper we consider distributions of the form 1/P and dy/P(x,y), whereP is a polynomial. Using results by Kashiwara and Kawai we give fairly accessible proofs that these expressions can be defined as regular holonomic distributions by utilising a meromorphic parameter. We also discuss distributions of the form /P and their direct image , when one knows that is a regular holonomic distribution. All these distributions are relevant to the study of renormalised Feynman integrals.     

19.4%‐efficient large‐area fully screen‐printed silicon solar cells

We demonstrate industrially feasible large‐area solar cells with passivated homogeneous emitter and rear achieving energy conversion efficiencies of up to 19.4% on 125 × 125 mm² p‐type 2–3 Ω cm boron‐doped Czochralski silicon wafers. Front and rear metal contacts are fabricated by screen‐printing of silver and aluminum paste and firing in a conventional belt furnace. We implement two different dielectric rear surface passivation stacks: (i) a thermally grown silicon dioxide/silicon nitride stack and (ii) an atomic‐layer‐deposited aluminum oxide/silicon nitride stack. The dielectrics at the rear result in a decreased surface recombination velocity of S_rear = 70 cm/s and 80 cm/s, and an increased internal IR reflectance of up to 91% corresponding to an improved J_sc of up to 38.9 mA/cm² and V_oc of up to 664 mV. We observe an increase in cell efficiency of 0.8% absolute for the cells compared to 18.6% efficient reference solar cells featuring a full‐area aluminum back surface field. To our knowledge, the energy conversion efficiency of 19.4% is the best value reported so far for large area screen‐printed solar cells. (© 2011 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Raman detection of hydrohalite formation: Avoiding accidents on icy roads by deicing where salt will not work

The common substance Hydrohalite has a role to play in as diverse areas as Geology, Earth Climatology, Universe Cosmology, and Cryobiology. In this review, the occurrences under very different occasions are described. These relations are not commonly appreciated. During the work, we realized that there is yet an aspect that has been overlooked. Hydrohalite formed sometimes on icy roads resists common salt deicing procedures. Also, hydrohalite can be detected by rather simple Raman spectroscopy instrumentation. It means that it is possible to avoid accidents on icy roads in the following way: Common salt deicing trucks may be equipped with “artificial intelligence” based on a duel deicing system that switches between normal NaCl deicing and non-NaCl deicing based on Raman spectroscopy. The advantages are first of all less traffic accidents and lower environmental impact and corrosion from NaCl, but disadvantages are increased costs of investments and consumption of non-NaCl deicing agents.     

High‐Temperature Stable Zirconia Particles Doped with Yttrium,Lanthanum, and Gadolinium

Zirconia microspheres synthesized by a wet‐chemical sol–gel process are promising building blocks for various photonic applications considered for heat management and energy systems, including highly efficient reflective thermal barrier coatings and absorbers/emitters used in thermophotovoltaic systems. As previously shown, pure zirconia microparticles deteriorate at working temperatures of ≥1000 °C. While the addition of yttrium as a dopant has been shown to improve their phase stability, pronounced grain growth at temperatures of ≥1000 °C compromises the photonic structure of the assembled microspheres. Here, a new approach for the fabrication of highly stable ceramic microparticles by doping with lanthanum, gadolinium, and a combination of those with yttrium is introduced. The morphological changes of the particles are monitored by scanning electron microscopy, ex situ X‐ray diffraction (XRD), and in situ high‐energy XRD as a function of dopant concentration up to 1500 °C. While the addition of lanthanum or gadolinium has a strong grain growth attenuating effect, it alone is insufficient to avoid a destructive tetragonal‐to‐monoclinic phase transformation occurring after heating to >850 °C. However, combining lanthanum or gadolinium with yttrium leads to particles with both efficient phase stabilization and attenuated grain growth. Thus, ceramic microspheres are yielded that remain extremely stable after heating to 1200 °C.     

Microswimmers – From Single Particle Motion to Collective Behavior

Locomotion of autonomous microswimmers is a fascinating field at the cutting edge of science. It combines the biophysics of self-propulsion via motor proteins, artificial propulsion mechanisms, swimming strategies at low Reynolds numbers, the hydrodynamic interaction of swimmers, and the collective motion and synchronisation of large numbers of agents. The articles of this Special Issue are based on the lecture notes of an international summer school, which was organized by the DFG Priority Programme 1726 “Microswimmers – From Single Particle Motion to Collective Behaviour” in the fall of 2015. The minireviews provide a broad overview of the field, covering both elementary and advanced material, as well as selected areas from current research.     

The structure of solid salt eutectics — – Why lamellar or conglomerate?

Using KCl/ZnSO₄ eutectic it has been shown that cooling the melt into a room temperature enclosure forms a lamellar structure, whereas cooling into a heated enclosure (225 °C) forms a conglomerate structure, while an enclosure temperature of 125 °C gave a partially conglomerate structure with some lamellae in process of forming conglomerates.Consideration of the thermal gradients imposed on solidification and consequently the relative time available during which the ions are sufficiently mobile to rearrange their positions, can explain the observation that lamellar structures are formed by higher melting point eutectics, whereas eutectics of lower melting point form conglomerate structures.     

Use of very long-distance NOEs in a fully deuterated protein: an approach for rapid protein fold determination

The high sensitivity of modern NMR instrumentation, in combination with full deuteration, enabled the measurement of long-range NOEs between amide protons in a fully deuterated protein corresponding to distances up to 8A. These are beyond the limit normally observed in protonated samples. Such long-distance NOEs could be observed using long mixing times, which became possible due to reduced spin diffusion and T1 relaxation of the amide protons in the fully deuterated sample. This information was used in combination with secondary structure restraints derived from secondary chemical shifts for structure calculations. With these backbone amide proton NOEs only, a unique fold could be obtained with positional root mean square deviations from the average of 1.30 and 2.25 A for backbone and heavy atoms, respectively. Despite the low density of restraints, no mirror image problems were observed. Addition of sidechain NOE information increased the precision of the ensemble and in particular of the core packing. The structures obtained in this way were close to the published crystal structure. NOE completeness analysis revealed that the cumulative completeness is still more than 80% for an 8.0 A cut-off distance.