LiCaFeF6 A zero strain cathode material for use in Li ion batteries

A new zero strain LiCaFeF6 cathode material for reversible insertion and extraction of lithium ions is presented. LiCaFeF6 is synthesized by a solid state reaction and processed to a conductive electrode composite via high energy ball milling. In the first cycle, a discharge capacity of 112 mAh g amp; 8315; is achieved in the voltage range from 2.0 V to 4.5 V. The electrochemically active redox couple is Fe3 amp; 8314; Fe2 amp; 8314; as confirmed by Mössbauer spectroscopy and X ray absorption spectroscopy. The compound has a trigonal colquiriite type crystal structure space group . By means of in situ and ex situ XRD as well as X ray absorption fine structure spectroscopy a reversible response to Li uptake release is found. For an uptake of 0.8 mol Li per formula unit only minimal changes occur in the lattice parameters causing a total change in unit cell volume of less than 0.5 . The spatial distribution of cations in the crystal structure as well as the linkage between their corresponding fluorine octahedra is responsible for this very small structural response. With its zero strain behaviour this material is expected to exhibit only negligible mechanical degradation. It may be used as a cathode material in future lithium ion batteries with strongly improved safety and cycle lif

X-ray Raman scattering study of aligned polyfluorene

We present a non-resonant inelastic x-ray scattering study at the carbon K-edge on aligned poly[9,9-bis(2-ethylhexyl)-fluorene-2,7-diyl] and show that the x-ray Raman scattering technique can be used as a practical alternative to x-ray absorption measurements. We demonstrate that this novel method can be applied to studies on aligned $\pi$-conjugated polymers complementing diffraction and optical studies. Combining the experimental data and a very recently proposed theoretical scheme we demonstrate a unique property of x-ray Raman scattering by performing the symmetry decomposition on the density of unoccupied electronic states into $s$- and $p$-type symmetry contributions.Comment: 19 pages, 8 figure

Design and construction of an optical test bed for LISA imaging systems and tilt-to-length coupling

The laser interferometer space antenna (LISA) is a future space-based interferometric gravitational-wave detector consisting of three spacecraft in a triangular configuration. The interferometric measurements of path length changes between satellites will be performed on optical benches in the satellites. Angular misalignments of the interfering beams couple into the length measurement and represent a significant noise source. Imaging systems will be used to reduce this tilt-to-length coupling. We designed and constructed an optical test bed to experimentally investigate tilt-to-length coupling. It consists of two separate structures, a minimal optical bench and a telescope simulator. The minimal optical bench comprises the science interferometer where the local laser is interfered with light from a remote spacecraft. In our experiment, a simulated version of this received beam is generated on the telescope simulator. The telescope simulator provides a tilting beam, a reference interferometer and an additional static beam as a phase reference. The tilting beam can either be a flat-top beam or a Gaussian beam. We avoid tilt-to-length coupling in the reference interferometer by using a small photo diode placed at an image of the beam rotation point. We show that the test bed is operational with an initial measurement of tilt-to-length coupling without imaging systems. Furthermore, we show the design of two different imaging systems whose performance will be investigated in future experiments

Design and construction of a telescope simulator for LISA optical bench testing

LISA (Laser Interferometer Space Antenna) is a proposed space-based instrument for astrophysical observations via the measurement of gravitational waves at mHz frequencies. The triangular constellation of the three LISA satellites will allow interferometric measurement of the changes in distance along the arms. On board each LISA satellite there will be two optical benches, one for each testmass, that measure the distance to the local test mass and to the remote optical bench on the distant satellite. For technology development, an Optical Bench Elegant Bread Board (OB EBB) is currently under construction. To verify the performance of the EBB, another optical bench - the so-called telescope simulator bench - will be constructed to simulate the beam coming from the far spacecraft. The optical beam from the telescope simulator will be superimposed with the light on the LISA OB, in order to simulate the link between two LISA satellites. Similarly in reverse, the optical beam from the LISA OB will be picked up and measured on the telescope simulator bench. Furthermore, the telescope simulator houses a test mass simulator. A gold coated mirror which can be manipulated by an actuator simulates the test mass movements. This paper presents the layout and design of the bench for the telescope simulator and test mass simulator

Structure, Photophysics and the Order-Disorder Transition to the Beta Phase in Poly(9,9-(di -n,n-octyl)fluorene)

X-ray diffraction, UV-vis absorption and photoluminescence (PL) spectroscopy have been used to study the well-known order-disorder transition (ODT) to the beta phase in poly(9,9-(di n,n-octyl)fluorene)) (PF8) thin film samples through combination of time-dependent and temperature-dependent measurements. The ODT is well described by a simple Avrami picture of one-dimensional nucleation and growth but crystallization, on cooling, proceeds only after molecular-level conformational relaxation to the so called beta phase. Rapid thermal quenching is employed for PF8 studies of pure alpha phase samples while extended low-temperature annealing is used for improved beta phase formation. Low temperature PL studies reveal sharp Franck-Condon type emission bands and, in the beta phase, two distinguishable vibronic sub-bands with energies of approximately 199 and 158 meV at 25 K. This improved molecular level structural order leads to a more complete analysis of the higher-order vibronic bands. A net Huang-Rhys coupling parameter of just under 0.7 is typically observed but the relative contributions by the two distinguishable vibronic sub-bands exhibit an anomalous temperature dependence. The PL studies also identify strongly correlated behavior between the relative beta phase 0-0 PL peak position and peak width. This relationship is modeled under the assumption that emission represents excitons in thermodynamic equilibrium from states at the bottom of a quasi-one-dimensional exciton band. The crystalline phase, as observed in annealed thin-film samples, has scattering peaks which are incompatible with a simple hexagonal packing of the PF8 chains.Comment: Submitted to PRB, 12 files; 1 tex, 1 bbl, 10 eps figure

The state of the Martian climate

60°N was +2.0°C, relative to the 1981–2010 average value (Fig. 5.1). This marks a new high for the record. The average annual surface air temperature (SAT) anomaly for 2016 for land stations north of starting in 1900, and is a significant increase over the previous highest value of +1.2°C, which was observed in 2007, 2011, and 2015. Average global annual temperatures also showed record values in 2015 and 2016. Currently, the Arctic is warming at more than twice the rate of lower latitudes

Laboratory evolution of Pyrococcus furiosus alcohol dehydrogenase to improve the production of (2S,5S)-hexanediol at moderate temperatures

There is considerable interest in the use of enantioselective alcohol dehydrogenases for the production of enantio- and diastereomerically pure diols, which are important building blocks for pharmaceuticals, agrochemicals and fine chemicals. Due to the need for a stable alcohol dehydrogenase with activity at low-temperature process conditions (30°C) for the production of (2S,5S)-hexanediol, we have improved an alcohol dehydrogenase from the hyperthermophilic archaeon Pyrococcus furiosus (AdhA). A stable S-selective alcohol dehydrogenase with increased activity at 30°C on the substrate 2,5-hexanedione was generated by laboratory evolution on the thermostable alcohol dehydrogenase AdhA. One round of error-prone PCR and screening of ∼1,500 mutants was performed. The maximum specific activity of the best performing mutant with 2,5-hexanedione at 30°C was tenfold higher compared to the activity of the wild-type enzyme. A 3D-model of AdhA revealed that this mutant has one mutation in the well-conserved NADP(H)-binding site (R11L), and a second mutation (A180V) near the catalytic and highly conserved threonine at position 183

Unlocking the potential of weberite-type metal fluorides in electrochemical energy storage

Sodium-ion batteries (NIBs) are a front-runner among the alternative battery technologies suggested for substituting the state-of-the-art lithium-ion batteries (LIBs). The specific energy of Na-ion batteries is significantly lower than that of LIBs, which is mainly due to the lower operating potentials and higher molecular weight of sodium insertion cathode materials. To compete with the high energy density of LIBs, high voltage cathode materials are required for NIBs. Here we report a theoretical investigation on weberite-type sodium metal fluorides (SMFs), a new class of high voltage and high energy density materials which are so far unexplored as cathode materials for NIBs. The weberite structure type is highly favorable for sodium-containing transition metal fluorides, with a large variety of transition metal combinations (M, M’) adopting the corresponding Na2MM’F7 structure. A series of known and hypothetical compounds with weberite-type structure were computationally investigated to evaluate their potential as cathode materials for NIBs. Weberite-type SMFs show two-dimensional pathways for Na+ diffusion with surprisingly low activation barriers. The high energy density combined with low diffusion barriers for Na+ makes this type of compounds promising candidates for cathode materials in NIBs