Tuning of emission by effect of local symmetry in BaLaLiWO6:Dy3+/Eu3+ for WLEDs

The luminescence center energy transfer, crystal field strength, and covalency are limited by the crystal structure of the host and subsequently affect the luminescence efficiency, color, and intensity. Here, we report an excellent red phosphor BaLaLiWO₆:0.40Eu³⁺ and the dependence between symmetry and luminous performance. A model for changing symmetry is drawn by analyzing the Coulomb potential and structure for the application of a double-perovskite phosphor BLLWO: Dy³⁺, Eu³⁺ in white light LEDs. The addition of Dy³⁺/Eu³⁺ makes the W-O bond formed by the B-site and oxygen ion longer and the Li-O bond shorter, and the difference between the eight octahedral around the A-site is reduced, increasing the symmetry of the A-site. Local symmetry was successfully modulated by changing the Eu³⁺ concentration to control the Y/B ratio of Dy³⁺ and the R/O ratio of Eu³⁺ and smoothly achieved (0.382, 0.373) warm white light color coordinate. The phosphor has excellent thermal stability and still has 92.3% intensity at 475 K. The above results show that the wavelength composition of the luminescence is tunable by changing the symmetry of the environment in which the doped ions are located. It applies to single hosts for the regulation of white light emission.     

Charge Transportation and Chirality in Liquid Crystalline Helical Network Phases of Achiral BTBT-Derived Polycatenar Molecules

First examples of multichain (polycatenar) compounds, based on the π-conjugated [1]benzothieno[3,2-b]benzothiophene unit are designed, synthesized, and their soft self-assembly and charge carrier mobility are investigated. These compounds, terminated by the new fan-shaped 2-brominated 3,4,5-trialkoxybenzoate moiety, form bicontinuous cubic liquid crystalline (LC) phases with helical network structure over extremely wide temperature ranges (>200 K), including ambient temperature. Compounds with short chains show an achiral cubic phase with the double network, which upon increasing the chain length, is at first replaced by a tetragonal 3D phase and then by a mirror symmetry is broken triple network cubic phase. In the networks, the capability of bypassing defects provides enhanced charge carrier mobility compared to imperfectly aligned columnar phases, and the charge transportation is non-dispersive, as only rarely observed for LC materials. At the transition to a semicrystalline helical network phase, the conductivity is further enhanced by almost one order of magnitude. In addition, a mirror symmetry broken isotropic liquid phase is formed beside the 3D phases, which upon chain elongation is removed and replaced by a hexagonal columnar LC phase.     

Analytical technique for thermoelectroelastic field in piezoelectric bodies with D∞ symmetry in cylindrical coordinates

A general solution technique for non-axisymmetric thermoelectroelastic problems in cylindrical domains with D_∞ symmetry is constructed. The displacement and electric field are expressed in terms of the respective potential functions, and the thermoelectroelastic field quantities are expressed in terms of the elastic and piezoelastic potential functions, each of which essentially satisfies a Laplace equation with respect to the spatial coordinates, combined with the two thermoelastic displacement potential functions. As an application of the technique, the theoretical analysis of a solid cylinder subjected to combined mechanical and thermal loading is performed, and the necessity of the thermoelectroelastic analyses is demonstrated.     

Characterizing pathological imperfections in macromolecular crystals: lattice disorders and modulations

Macromolecular crystal structure determination can be complicated or brought to a halt by crystal imperfections. These issues motivated us to write up what we affectionately call ‘The Definitive Hitchhiker’s Guide to Pathological Macromolecular Crystals: Lattice Disorders and Modulations’. Perhaps the most challenging imperfections are lattice order–disorder phenomena and positional modulations. Many of these types of crystals have been solved, and progress has been made on the more challenging forms. Diagnostic tools and how to solve many of these problem crystal structures are reviewed. New avenues are provided for approaching the solution of incommensurately modulated crystals. There are a good number of case studies in the literature of lattice order–disorder phenomena and crystallographic modulations that make it timely to write a review. This review concludes with a projected pathway for solving incommensurately modulated crystals, personal views of future directions and needs of the crystallographic community.     

What is a crystal to the new chemical crystallographer,after that first,automated structure analysis?

This educational review postulates the importance of maintaining an adequate level of crystallographic education among structure-dependent scientists whose interests are not primarily in crystallography, at a time when automation and validation have made it possible to obtain high-quality structure analyses in many cases with a minimum of crystallographic background. The topics addressed are intended to form a second round of crystallographic education for a novice user whose first round involved hands-on experience with structure solution and an introduction to elementary concepts. The specific topics, chosen for their relevance as basic knowledge and their lack of emphasis in many formal treatments, are (1) crystallographic reference frames and the utility of the reciprocal cell in geometrical calculations; (2) the relationship between the two concepts that constitute our model of the crystal, namely the unit cell and the lattice; (3) the manner in which an atom is represented in concept and in practice; (4) the importance of interleaved symmetry elements required by the presence of additional symmetry on a lattice; (5) the harnessing of the natural properties of the crystalline state for the potential manipulation of properties of synthetic crystals; and (6) useful terminology for navigating a crystal structure.     

基于人工神经网络的柴油机失火故障诊断

车载诊断系统在诊断失火故障时,采用基于曲轴段角加速度和阈值规则相结合的方法,该方法在内燃机高速轻载运行时诊断单缸完全失火工况存在一定的局限性。通过对比分析失火和正常工况下曲轴瞬时转速的幅频和相频特征,提取不同谐次的幅值和相位信息,结合人工神经网络作为故障模式识别工具,得到了一种改善方法。通过台架实验,对此改善方法进行了单缸完全失火、两缸完全失火和单缸一定程度失火的故障诊断测试。结果表明,在实验条件下该方法可以有效识别不同的失火模式,并可在单缸失火模式下实现失火程度判别。同时,该方法通过少量工况数据训练神经网络,即可实现一定转速范围内的失火诊断,可行性强,可用于发动机失火故障在线诊断。     

Preparation of CaO granules using the granulation method

ABSTRACT

Improving the hydration resistance of CaO particle in manufacturing and application of free CaO-containing materials has practical significance. In this study, CaO granules was made from Ca(OH)₂ particles, which were fabricated by the granulation method. The results showed that the hydration resistance of the CaO granules which was prepared under 1700?r?min^?1 was the best, the CaO granules was sintered well in calcination process, the shell of CaO granules was relatively dense, which improves the hydration resistance of CaO granules, and the rate of hydration weight increment was 0.58% after placed in the air for 20 days under a temperature of 10–14°C and a relative humidity of 57–81%.     

Ultra-smooth BaTiO3 surface morphology using chemical mechanical polishing technique for high-k metal-insulator-metal capacitors

The surface roughness of barium titanate (BTO) following its implication by aerosol deposition method (ADM), is a very important characteristic affecting its potential for use in high-k metal-insulator-metal capacitors. The ADM is the best candidate to deposit ceramic films but has two major problems: macroscopic defects and rough interface effects on the BTO surface. In this work, a chemical mechanical polishing (CMP) technique is applied to obtain an ultra-smooth BTO surface morphology by the optimization of several factors including the slurry type, the head rotational speed, and the down pressure. Statistically, we were able to achieve a root mean square (RMS) value of the BTO surface of 1.746 nm by utilizing a two-step polishing process, applied at a head rotational speed of 70 rpm under 5 kg/cm² of down pressure; this RMS value is improved at least 8 times over previous studies. This analysis is based on representative pattern images, three-dimensional images, line profiles, histograms, and power spectra of selected BTO surface areas, further verified with data from both energy-dispersive X-ray spectroscopy and X-ray photoelectron spectroscopy.     

Symmetry Breaking in Monometallic Nanocrystals toward Broadband and Direct Electron Transfer Enhanced Plasmonic Photocatalysis

Metallic nanocrystals manifest themselves as fascinating light absorbers for applications in plasmon-enhanced photocatalysis and solar energy harvesting. The essential challenges lie in harvesting the full-spectrum solar light and harnessing the plasmon-induced hot carriers at the metal–acceptor interface. To this end, a cooperative overpotential and underpotential deposition strategy is proposed to mitigate both the challenges. Specifically, by utilizing both ionic additive and thiol passivator to introduce symmetry-breaking growth over gold icosahedral nanocrystals, the microscopic origin can be attributed to the site-specific nucleation of stacking faults and dislocations. By adopting asymmetric crystal shape and unique surface facets, such nanocrystals attain high activity toward photocatalytic ammonia borane hydrolysis, arising from combined broadband plasmonic properties and enhanced direct transfer of hot electrons across the metal–adsorbate interface.