Synthesis, structure and optical properties of Eu/TiO2 nanocrystals at room temperature

The nanocrystal samples of titanium dioxide doped with europium ion (Eu³⁺/TiO₂ nanocrystal) are synthesized by the sol-gel method with hydrothermal treatment. The Eu³⁺ contents (molar ratio) in the samples are 0, 0.5%, 1%, 2%, 3% and 4%. The X-ray diffraction, UV-Vis spectroscopy data and scanning electron microscope image show that crystallite size is reduced by the doping of Eu³⁺ into TiO₂. Comparing the Raman spectra of TiO₂ with Eu³⁺/TiO₂ (molar ratio Eu³⁺/TiO₂=1%, 2% and 4%) nanocrystals at different annealing temperatures indicates that the anatase-to-rutile phase transformation temperatures of Eu³⁺/TiO₂ nanocrystals are higher than that of TiO₂. This is due to the formation of Eu-O-Ti bonds on the surface of the TiO₂ crystallite, as characterized by the X-ray photoelectron spectroscopy. The photoluminescence spectra of TiO₂ in Eu³⁺/TiO₂ nanocrystals are interpreted by the surface self-trapped and defect-trapped exciton relaxation. The photoluminescence of Eu³⁺ in Eu³⁺/TiO₂ nanocrystals has the strongest emission intensity at 2% of Eu³⁺ concentration.     

A closer look into DESIRE for NMR microscopy

The major challenge of nuclear magnetic resonance (NMR) microscopy at a spatial resolution of a few micrometers is to obtain a sufficiently high signal-to-noise-ratio (SNR) within a reasonable measurement time. As a particular difficulty, molecular self-diffusion poses a serious limitation to true spatial resolution and SNR if conventional Fourier encoding techniques are used. Opposed to that, the alternative DESIRE (Diffusion Enhancement of SIgnal and REsolution) approach to NMR microscopy utilises diffusion to increase the SNR. Being a real-space imaging method, spatial localisation is accomplished by saturation pulses while diffusion continuously replaces the saturated by unsaturated spins. For this technique a signal enhancement of up to three orders of magnitude has been predicted and initial experimental data have provided a proof of principle. In the present work, a detailed investigation of one-dimensional (1D) DESIRE is presented including simulations of a real implementation of the method, a quantitative experimental analysis, and basic 1D imaging. The simulations reveal the importance and provide the means of ensuring the true spatial resolution for this particular way of localisation, enable the selection of useful experimental parameters, and predict the specific image contrast to be expected around barriers restricting diffusion. Experimental data are presented with resolutions down to 3 microm and DESIRE enhancement up to 25 that are in good agreement with the simulation results. In particular, 1D DESIRE imaging in a phantom confirms the expected signal drop close to barriers due to spatially restricted diffusion.     

Flexural vibration band gaps in a thin plate containing a periodic array of hemmed discs

Using a periodic expansion by means of the Bloch theorem, the flexural vibration band gaps are studied in a thin plate with two-dimensional ternary locally resonant structures, i.e. a thin epoxy plate containing a periodic square array of lead discs hemmed around by rubber. The full band gaps of flexural vibration in the thin plate are obtained within which sound and vibration will be forbidden. The numerical results are used to show how the width of the first full band gap depends on the radius ratio of lead disc to hemmed disc, filling fraction, lattice constant (distance between the centers of the nearest lead discs) and thickness of the thin plate. It is observed that the gap width can be changed a lot by modulating these physical parameters.     

Theoretical simulations of emission spectra of Fe^7＋ and Fe^＋8

The energy levels, oscillator strengths, spontaneous radiative decay rates, and electron impact collision strengths are calculated for Fe VIII and Fe IX using the recently developed flexible atomic code （FAC）. These atomic data are used to analyse the emission spectra of both laboratory and astrophysical plasmas. The nf-3d emission lines have been simulated for Fe VIII and Fe IX in a wavelength range of 6-14 nm. For Fe VIII, the predicted relative intensities of lines are insensitive to temperature. For Fe IX, however, the intensity ratios are very sensitive to temperature, implying that the information of temperature in the experiment can be inferred. Detailed line analyses have also been carried out in a wavelength range of 60-80 nm for Fe VIII, where the solar ultraviolet measurements of emitted radiation spectrometer records a large number of spectra. More lines can be identified with the aid of present atomic data. A complete dataset is available electronically from http：//www.astrnomy.csdb.cn/EIE/.     

Evaluation of the angular spectrum approach for simulations of near-field pressures

The implementation of the angular spectrum approach based on the two-dimensional fast Fourier transform is evaluated for near-field pressure simulations of square ultrasound transducers, where the three-dimensional pressure field is calculated from the normal velocity distribution on the transducer surface. The pressure field is propagated in the spatial frequency domain with the spatial propagator or the spectral propagator. The spatial propagator yields accurate results in the central portion of the computational grid while significant errors are produced near the edge due to the finite extent of the window applied to the spatial propagator. Likewise, the spectral propagator is inherently undersampled in the spatial frequency domain, and this causes high frequency errors in the computed pressure field. This aliasing problem is alleviated with angular restriction. The results show that, in nonattenuating media, the spatial propagator achieves smaller errors than the spectral propagator after the region of interest is truncated to exclude the windowing error. For pressure calculations in attenuating media or with apodized pistons as sources, the spatial and spectral propagator achieve similar accuracies. In all simulations, the angular spectrum calculations with the spatial propagator take more time than calculations with the spectral propagator.     

A photonic wire-based directional coupler based on SOI

A photonic wire-based directional coupler based on SOI was fabricated by e-beam lithography (EBL) and the inductively coupled plasma (ICP) etching method. The size of the sub-micron waveguide is 0.34 μm × 0.34 μm, and the length in the coupling region and the separation between the two parallel waveguides are 410 and 0.8 μm, respectively. The measurement results are in good agreement with the results simulated by 3D finite-difference time-domain method. The transmission power from two output ports changed reciprocally with about 23 nm wavelength spacing between the coupled and direct ports. The extinction ratio of the device was between 5 and 10 dB, and the insertion loss of the device in the wavelength range 1520-1610 nm was between 22 and 24 dB, which included an about 18.4 ± 0.4 dB coupling loss between the taper fibers and the polished sides of the device.     

XANES/EPR Evidence of the Oxidation of Nickel(II) Quinolinylpropioamide and Its Application in Csp3−H Functionalization

An in situ generated oxidation species of nickel quinolinylpropioamide intermediate was produced. Characterization by X-ray absorption near edge structure (XANES) and EPR provides complementary insights into this oxidized nickel species. With aliphatic amides and isocyanides as substrates, a nickel-catalyzed facile synthesis of structurally diverse five-membered lactams could be achieved.     

Ab initio investigation of possible lower-energy candidate structure for cationic water cluster (H2O) 12+ via particle swarm optimization method

Detecting the underlying performance of hydrated electrons and hydroxyl radicals in the cationic water cluster can greatly help to understand the inter reaction mechanism in the liquid water and aqueous solutions. Based on our previous (H₂O)₁₀⁺ research, we have paid attention to more problems of larger cationic clusters in this work, including the existence of hemibonded type, long-range correction functions, and hydrogen-bonded site analyses. The lower-energy structures of the cationic water cluster (H₂O)₁₂⁺ have been comprehensively explored, and more experienced functions are introduced to check the ground state and vibration spectrum. Unlike the configuration regularity of neutral (H₂O)₁₂ clusters and small cationic water clusters, those new-found structures for (H₂O)₁₂⁺ are inclined to adopt three dimension (3D) cage-like structures and the H₂O-OH₂ structure appears in the higher energy isomer. The calculation reveals that the lowest stable isomer is the 3D cage structure W14 predicted at MP2 level, which has not been reported yet. In the thermal simulation, structure transition from the cage-like to the ring-like occurs at T?>?≈256 K, and the two dimension (2D) ring-like structure occupies a dominant position at high temperature range. The infrared spectra explain that the difference of the spectra between the 2D net structures and 3D cage-structures is mainly caused by the weight fluctuation of single acceptor-single donor (AD), double acceptor-single donor (AAD), and single acceptor-double donor (ADD) sites in these isomers. This further gives a similarity relation between (H₂O)₁₂⁺ and H⁺(H₂O)₁₂ clusters in the shape of the network and spectral characteristics. By molecular orbitals and topological analysis, we find that the lone pair orbital on hydroxyl radical dominates the reactivity and stability of cationic system. The present research may be helpful for exploring the evolution law of the larger cationic water clusters in the future.

     

The Improvement of Performance for Continuous-Variable Quantum Key Distribution with Imperfect Gaussian Modulation

Gaussian modulation is one of the key steps for the implementation of continuous-variable quantum key distribution (CVQKD) schemes. However, imperfection in the Gaussian modulation may introduce modulation noise that can deteriorate the performance of CVQKD systems. In this paper, we mainly investigate how to improve the performance of a CVQKD system from different aspects. First, we explore the several different origins, impacts and monitoring schemes for the modulation noise in detail. Then, we discuss the practical performance of a CVQKD system with an untrusted noise model and neutral party model, respectively. These analyses indicate that the neutral party model should be reasonably regarded as a general noise model, which will passively and greatly raise the performance of the system. Further, we propose a dynamic auto-bias control scheme to actively resist the modulation noise which comes from the drift of bias point of the amplitude modulator. Together these methods contribute to the improvement of the practical performance of CVQKD systems with imperfect Gaussian modulation.