Population transfer in multilevel system through modified stimulated Raman adiabatic passage

Stimulated Raman adiabatic passage (STIRAP) has been successfully extended to multilevel system. During the STIRAP process, the intermediate levels have notable population which is detrimental if these levels could decay to other levels through spontaneous emission. This paper proposes a novel method to reduce the intermediate level population during the STIRAP process. A complete population transfer can be achieved in this modified STIRAP even if the intermediate level decays to other levels.     

基于卷积神经网络特征提取的拉曼光谱分类研究

拉曼光谱物质定性识别已被广泛的应用于化工、安防、缉毒等行业和研究领域,但是传统的拉曼光谱分析技术依赖于光谱数据库,通过光谱特征提取进行识别。特征提取是拉曼识别的关键处理步骤,通常利用主成分分析,因子分析等方法进行特征提取,而后通过KNN,SVM和随机森林等方法进行光谱特征定性识别,当拉曼数据库不存在待定性物质时,易造成待检测物质的错误分类。针对此问题,提出一种基于卷积神经网络的对数据库缺少物质光谱识别方法。在实验过程中,采用九类,200余种精神类药品拉曼光谱作为测试对象,通过搭建卷积神经网络自动特征提取并利用Softmax分类器将200余种物质,按照Amphetamine, cathinone, cannabinoids等九种类别进行定性分析。通过与传统机器学习方法如K近邻,支持向量机等方法进行比较,基于卷积神经网络的模型识别准确性有显著提高,该方法可为拉曼光谱数据库的光谱识别检索提供一种新的识别方法。     

A new IGBT control and drive circuit for high-power full-bridge inverter for electrostatic precipitators

In this paper, aiming at the characteristics of high-power full-bridge inverter, a new IGBT control and drive circuit is designed, in which UCC3895, a phase shift and dead-time control chip, MC33152, a high-speed dual-phase driver, and PT6 isolation transformers consist the core part. The circuit can regulate its frequency, phase angle and dead-time, while possessing following features: short turn-on/off time, low-voltage peak, simplified circuit structure, high reliability and universality, etc. Now, it has been successfully applied on the power supply for 72 kV/1 A high-frequency high-voltage electrostatic precipitator.     

Hybrid Double Perovskite Derived Halides Based on Bi and Alkali Metals (K,Rb): Diverse Structures,Tunable Optical Properties and Second Harmonic Generation Responses

Double perovskites (DP) have attracted extensive attention due to their rich structures and wide application prospects in the field of optoelectronics. Here, we report 15 new Bi-based double perovskite derived halides with the general formula of A₂BBiX₆ (A=organic cationic ligand, B=K or Rb, X=Br or I). These materials are synthesized using organic ligands to coordinate with metal ions with a sp³ oxygen, and diverse structure types have been obtained with distinct dimensionalities and connectivity modes. The optical band gaps of these phases can be tuned by changing the halide, the organic ligand and the alkali metal, varying from 2.0 to 2.9 eV. The bromide phases exhibit increasing photoluminescence (PL) intensity with decreasing temperature, while the PL intensity of iodide phases changes nonmonotonically with temperature. Because the majority of these phases are non-centrosymmetric, second harmonic generation (SHG) responses are also measured for selected non-centrosymmetric materials, showing different particle-size-dependent trends. Our findings give rise to a series of new structural types to the DP family, and provide a powerful synthetic handle for symmetry breaking.     

Palladium and Ruthenium Dual-Single-Atom Sites on Porous Ionic Polymers for Acetylene Dialkoxycarbonylation: Synergetic Effects Stabilize the Active Site and Increase CO Adsorption

Heterogeneous single-metal-site catalysts usually suffer from poor stability, thereby limiting industrial applications. Dual Pd₁−Ru₁ single-atom-sites supported on porous ionic polymers (Pd₁−Ru₁/PIPs) were constructed using a wetness impregnation method. The two isolated metal species in the form of a binuclear complex were immobilized on the cationic framework of PIPs through ionic bonds. Compared to the single Pd- or Ru-site catalyst, the dual single-atom system exhibits higher activity with 98 % acetylene conversion and near 100 % selectivity to dialkoxycarbonylation products, as well as better cycling stability for ten cycles without obvious decay. Based on DFT calculations, it was found that the single-Ru site exhibited a strong CO adsorption energy of −1.6 eV, leading to an increase in the local CO concentration of the catalyst. Notably, the Pd₁−Ru₁/PIPs catalyst had a much lower energy barrier of 2.49 eV compared to 3.87 eV of Pd₁/PIPs for the rate-determining step. The synergetic effect between neighboring single sites Pd₁ and Ru₁ not only enhanced the overall activity, but also stabilized Pd^II active sites. The discovery of synergetic effects between single sites can deepen our understanding of single-site catalysts at the molecular level.     

Pressure-induced coordination changes in LiBO2

The coordination and structure changes in LiBO₂ have been studied at high pressure and temperature up to 5 GPa and 1500 °C using in-situ high-pressure differential thermal analysis, infrared absorption spectra and X-ray diffraction. The layer framework structure of α-LiBO₂ is found to be compressed easily along the direction of c-axis, resulting in the formation of tetra-coordinated BO₄ units. The phase transition boundaries between α- and γ-LiBO₂ as well as between amorphous LiBO₂ hydrate and γ-LiBO₂ have negative pressure–temperature slopes. The conditions for transformation from α- to γ-LiBO₂ are lower than that necessary to transform amorphous LiBO₂ hydrate to γ-LiBO₂. Moreover, the melting curve of LiBO₂ has also been determined and has a positive pressure–temperature slope. Upon quenching from high pressure, LiBO₂ may not contain ^[3]B–O–^[3]B rings but contain more fraction of ^[4]B units with increasing pressure.     

First-principles calculations of structural stability and mechanical properties of tungsten carbide under high pressure

The structural stability and mechanical properties of WC in WC-, MoC- and NaCl-type structures under high pressure are investigated systematically by first-principles calculations. The calculated equilibrium lattice constants at zero pressure agree well with available experimental and theoretical results. The formation enthalpy indicates that the most stable WC is in WC-type, then MoC-type finally NaCl-type. By the elastic stability criteria, it is predicted that the three structures are all mechanically stable. The elastic constants C_ij, bulk modulus B, shear modulus G, Young?s modulus E and Poisson?s ratio ν of the three structures are studied in the pressure range from 0 to 100 GPa. Furthermore, by analyzing the B/G ratio, the brittle/ductile behavior under high pressure is assessed. Moreover, the elastic anisotropy of the three structures up to 100 GPa is also discussed in detail.     

Study on Oxidative Desulfurization of Simulated Oil Catalyzed With Glycine Modified Phosphotungstic Acid

Russian Journal of Applied Chemistry - A catalyst (PWG) with glycine modified phosphotungstic acid was synthesized, and used in the process of oxidative desulfurization. FT-IR, XRD and SEM were...     

On existence and nonexistence of some harmonic maps

LetS ^1.1 denote the submanifold of Lorentz spaceR ^2.1, which is composed of all pointsl withl ²=1 and letT ^1.1=R ^1.1/Z×Z. In this paper we study the existence of nontrivial harmonic maps fromT ^1.1 toS ^1.1 andH ², and construct a harmonic map for any homotopy class of maps fromT ² toS ^1.1.