Evolution of superconductivity in K2-xFe4+ySe5: Spectroscopic studies of X-ray absorption and emission.

This study investigates the evolution of superconductivity in K2-xFe4+ySe5 using temperature-dependent X-ray absorption and resonant inelastic X-ray scattering techniques. Magnetization measurements show that polycrystalline superconducting (SC) K1.9Fe4.2Se5 has a critical temperature (T c) of ∼31 K with a varying superconducting volume fraction, which strongly depends on its synthesis temperature. An increase in Fe-structural/vacancy disorder in SC samples with more Fe atoms occupying vacant 4d sites is found to be closely related to the decrease in the spin magnetic moment of Fe. Moreover, the nearest-neighbor Fe-Se bond length in SC samples exceeds that in the non-SC (NS) sample, K2Fe4Se5, which indicates a weaker hybridization between the Fe 3d and Se 4p states in SC samples. These results clearly demonstrate the correlations among the local electronic and atomic structures and the magnetic properties of K2-xFe4+ySe5 superconductors, providing deeper insight into the electron pairing mechanisms of superconductivity

Template-free synthesis of Nd0.1Bi0.9FeO3 nanotubes with large inner diameter and wasp-waisted hysteresis loop

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Inference of gene-phenotype associations via protein-protein interaction and orthology

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Effects of hydrogen bond and solvent polarity on the C=O strectching of bis(2-thienyl)ketone in solution

The optimized structural parameters, the absorption and the resonance Raman spectra have been investigated for the bis(2-thienyl)ketone in gas phase, in cyclohexane, methanol, and acetonitrile solvents by means of time dependent density functional theory calculations, the solvent electronic polarization effect on the solvation shift is examined and in well accordance with the calculation. The effect of increasing the polarity of the solvent is well represented by the polarizable continuum model, both for the absorption spectra and resonance Raman intensities. The Raman spectra of the C=O stretching mode, which is sensitive to the intermolecular interaction for bis(2-thienyl)ketone dissolved in solvents, were systematically studied. It was found that the hydrogen bond effect plays an important role in reducing the carbonyl stretching wavenumbers. The results of Raman shifts were interpreted through the dilution effect, solvation effects, and hydrogen bond-forming effects. Furthermore, the excitation profiles of several important Raman bands of bis(2-thienyl)ketone molecule in different solvents have been critically analyzed. The solvent effects on structural and symmetry properties of the molecule in S2 electronic state as well as the short-time photo relaxation dynamics have been discussed.published_or_final_versio

Per la corretta attribuzione del "Romanzo delle donne contemporanee in Italia" (1863)

The use of free energy simulation techniques in the study of protein stability is critically evaluated. Results from two simulations of the thermostability mutation Asn218 to Ser218 in Subtilisin are presented. It is shown that components of the free energy change can be highly sensitive to the computational details of the simulation leading to the conclusion that free energy calculations cannot currently be used to reliably predict protein stability. The different factors that undermine the reliability are discussed

Possibilities for CO2 emission reduction using biomass in European integrated steel plants

Iron and steel plants producing steel via the blast furnace-basic oxygen furnace (BF-BOF) route constitute among the largest single point CO2 emitters within the European Union (EU). As the iron ore reduction process in the blast furnace is fully dependent on carbon mainly supplied by coal and coke, bioenergy is the only renewable that presents a possibility for their partial substitution. Using the BeWhere model, this work optimised the mobilization and use of biomass resources within the EU in order to identify the opportunities that bioenergy can bring to the 30 operating BF-BOF plants. The results demonstrate competition for the available biomass resources within existing industries and economically unappealing prices of the bio-based fuels. A carbon dioxide price of 60 € t−1 is required to substitute 20% of the CO2 emissions from the fossil fuels use, while a price of 140 € t−1 is needed to reach the maximum potential of 42%. The possibility to use organic wastes to produce hydrochar would not enhance the maximum emission reduction potential, but it would broaden the available feedstock during the low levels of substitution. The scope for bioenergy integration is different for each plant and so consideration of its deployment should be treated individually. Therefore, the EU-ETS (Emission Trading System) may not be the best policy tool for bioenergy as an emission reduction strategy for the iron and steel industry, as it does not differentiate between the opportunities across the different steel plants and creates additional costs for the already struggling European steel industry

Einstein-Podolsky-Rosen steering in critical systems

We explore Einstein-Podolsky-Rosen steering, measured by steering robustness, in the ground states of several typical models that exhibit a quantum phase transition. For the anisotropic XY model, steering robustness approaches zero around the critical point and vanishes in the ferromagnetic phase despite the fact that there exist other quantum nonlocalities, e.g. quantum entanglement. For the Heisenberg XXZ model, steering robustness exhibits some similar behavior as entanglement around the infinite-order quantum phase transition point Delta = 1, e.g. reaching its maximum. As a further example, we also consider steering robustness in the Lipkin-Meshkov-Glick collective spin model. It is then shown that steering robustness disappears at the transition point and remains at zero in the fully polarized symmetric phase, just like the behavior of entanglement and Bell nonlocality

Resistive switching and threshold switching behaviors in La 0.1Bi 0.9Fe 1-xCo xO 3 ceramics

The effects of cobalt doping on the electrical conductivity of La 0.1Bi 0.9Fe 1-xCo xO 3 (LBFCO, x=0, 0.01, 0.03) ceramics were investigated. It is found that the leakage current increases with cobalt dopant concentration in LBFCO. On the application of bias voltage LBFCO ceramics with cobalt doping exhibits resistive switching effects at room temperature and threshold switching effects at elevated temperatures (50°C and 80°C). X-ray photoelectron spectroscopy of LBFCO ceramics show that cobalt dopant is bivalent as an acceptor, which induces an enhancement of oxygen vacancy concentration in LBFCO ceramics. Possible mechanisms for both resistive switching and threshold switching effects are discussed on the basis of the interplay of bound ferroelectric charges and mobile charged defects. © 2012 American Institute of Physics.published_or_final_versio

The abnormal electrical and optical properties in Na and Ni codoped BiFeO3 nanoparticles

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