Modeling the effect of deep traps on the capacitance–voltage characteristics of p-type Si-doped GaAs Schottky diodes grown on high index GaAs substrates

Numerical simulation, using SILVACO-TCAD, is carried out to explain experimentally observed effects of different types of deep levels on the capacitance–voltage characteristics of p-type Si-doped GaAs Schottky diodes grown on high index GaAs substrates. Two diodes were grown on (311)A and (211)A oriented GaAs substrates using Molecular Beam Epitaxy (MBE). Although, deep levels were observed in both structures, the measured capacitance–voltage characteristics show a negative differential capacitance (NDC) for the (311)A diodes, while the (211)A devices display a usual behaviour. The NDC is related to the nature and spatial distribution of the deep levels, which are characterized by the Deep Level Transient Spectroscopy (DLTS) technique. In the (311)A structure only majority deep levels (hole traps) were observed while both majority and minority deep levels were present in the (211)A diodes. The simulation, which calculates the capacitance–voltage characteristics in the absence and presence of different types of deep levels, agrees well with the experimentally observed behaviour.     

Effects of corrosion in liquid fluoride salt on the tensile strength of domestic SiC fibers

The relationship between the tensile strength of corroded domestic second-generation (2ed-gen) SiC fibers at various temperatures for 500 h in 46.5LiF-11.5NaF-42.0KF (mol. %) eutectic salt and the typical microstructure was studied. Weibull theory was used to analyze the critical defects that caused the tensile fracture, and the microstructure of fibers before and after corrosion was characterized. It is concluded that the decrease of tensile strength after corrosion at 800 °C is caused by the surface injury of fibers, which led to the shift of critical defects from the internal defects of virgin fibers to surface defects. Moreover, corrosion at higher temperature accelerates the corrosion process and dissolve the surface O-contained layer thoroughly. This shifts the critical defects back to the internal defects and will be helpful for the recovery of tensile strength of corroded fibers at the higher temperature.     

A gradient boosting decision tree approach for insider trading identification: An empirical model evaluation of China stock market

Insider trading is a kind of criminal behavior in stock market by using nonpublic information. In recent years, it has become the major illegal activity in China’s stock market. In this study, a combination approach of GBDT (Gradient Boosting Decision Tree) and DE (Differential Evolution) is proposed to identify insider trading activities by using data of relevant indicators. First, insider trading samples occurred from year 2007 to 2017 and corresponding non-insider trading samples are collected. Next, the proposed method is trained by the GBDT, and initial parameters of the GBDT are optimized by the DE. Finally, out-of-samples are classified by the trained GBDT–DE model and its performances are evaluated. The experiment results show that our proposed method performed the best for insider trading identification under time window length of ninety days, indicating the relevant indicators under 90-days time window length are relatively more useful. Additionally, under all three time window lengths, relative importance result shows that several indicators are consistently crucial for insider trading identification. Furthermore, the proposed approach significantly outperforms other benchmark methods, demonstrating that it could be applied as an intelligent system to improve identification accuracy and efficiency for insider trading regulation in China stock market.     

基于小波变换的分数阶微分算法在肝脏肿瘤CT图像纹理增强中的应用

图像纹理增强过程中容易丢失平滑区域纹理细节，而分数阶微分增强虽然能够非线性保留平滑区域纹理细节，但对频率分辨率敏感。针对这个问题，提出一种基于小波变换的分数阶微分纹理增强算法，应用于平扫计算机断层扫描（CT）图像的肝脏肿瘤区域的纹理增强。首先，通过小波变换将图像感兴趣区分解成多个子带分量；其次，基于分数阶微分定义构造一个带补偿参数的分数阶微分掩膜；最后，使用该掩膜与每个高频子带分量进行卷积并利用小波逆变换重组图像感兴趣区。实验结果表明，该方法在使用较大分数阶次显著增强肿瘤区域的高频轮廓信息的同时，有效地保留了低频平滑的纹理细节：增强后的肝细胞癌区域与原区域相比，信息熵平均增加36.56%，平均梯度平均增加321.56%，平均绝对差值平均为9.287；增强后的肝血管瘤区域与原区域相比，信息熵平均增加48.77%，平均梯度平均增加511.26%，平均绝对差值平均为14.097。     

In situ Raman spectroscopic study towards the growth and excellent HER catalysis of Ni/Ni(OH)2 heterostructure

The electrochemical water splitting to produce H₂ in high efficiency with earth-abundant-metal catalysts remains a challenge. Here, we describe a simple “cyclic voltammetry + ageing” protocol at room temperature to activate Ni electrode (AC-Ni/NF) for hydrogen evolution reaction (HER), by which Ni/Ni(OH)₂ heterostructure is formed at the surface. In situ Raman spectroscopy reveals the gradual growth of Ni/Ni(OH)₂ heterostructure during the first 30 min of the aging treatment and combined with polarization measurements, it suggests a positive relation between the Ni/Ni(OH)₂ amount and HER performance of the electrode. The obtained AC-Ni/NF catalyst, with plentiful Ni–Ni(OH)₂ interfaces, exhibits remarkable performance towards HER, with the low overpotential of only 30 mV at a H₂-evolving current density of 10 mA/cm² and 153 mV at 100 mA/cm², as well as a small Tafel slope of 46.8 mV/dec in 1 M KOH electrolyte at ambient temperature. The excellent HER performance of the AC-Ni/NF could be maintained for at least 24 h without obvious decay. Ex situ experiments and in situ electrochemical-Raman spectroscopy along with density functional theory (DFT) calculations reveal that Ni/Ni(OH)₂ heterostructure, although partially reduced, can still persist during HER catalysis and it is the Ni–Ni(OH)₂ interface reducing the energy barrier of H1 adsorption thus promoting the HER performance.     

In vivo evaluation of a mucoadhesive polymeric caplet for intravaginal anti-HIV-1 delivery and development of a molecular mechanistic model for thermochemical characterization

Context and objective: The aim of this study was to develop, characterize and evaluate a mucoadhesive caplet resulting from a polymeric blend (polymeric caplet) for intravaginal anti-HIV-1 delivery.

Materials and methods: Poly(lactic-co-glycolic) acid, ethylcellulose, poly(vinylalcohol), polyacrylic acid and modified polyamide 6, 10 polymers were blended and compressed to a caplet-shaped device, with and without two model drugs 3′-azido-3′-deoxythymidine (AZT) and polystyrene sulfonate (PSS). Thermal analysis, infrared spectroscopy and microscopic analysis were carried out on the caplets employing temperature-modulated DSC (TMDSC), Fourier transform infra-red (FTIR) spectrometer and scanning electron microscope, respectively. In vitro and in vivo drug release analyses as well as the histopathological toxicity studies were carried out on the drug-loaded caplets. Furthermore, molecular mechanics (MM) simulations were carried out on the drug-loaded caplets to corroborate the experimental findings.

Results and discussion: There was a big deviation between the T_g of the polymeric caplet from the T_g's of the constituent polymers indicating a strong interaction between constituent polymers. FTIR spectroscopy confirmed the presence of specific ionic and non-ionic interactions within the caplet. A controlled near zero-order drug release was obtained for AZT (20 d) and PSS (28 d). In vivo results, i.e. the drug concentration in plasma ranged between 0.012–0.332?mg/mL and 0.009–0.256?mg/mL for AZT and PSS over 1–28 d.

Conclusion: The obtained results, which were corroborated by MM simulations, attested that the developed system has the potential for effective delivery of anti-HIV-agents.     

Hierarchical Ni-BDC coated FeOOH nanosheets: A coordination tuning synergistic electrocatalyst with enhanced activity for water oxidation

Hierarchical composites represent a class of efficient electrocatalysts for renewable energy storage and conversion technologies owing to the porous structure and additional exposure of metal sites. Herein, a Ni-based metal organic frameworks (MOFs) (marked as Ni-BDC, BDC stands for 1,4-benzenedicarboxylic acid) nanosheet is successfully fabricated on hydroxyl iron oxide (FeOOH) array with carbon fiber cloth (CFC) as substrate. Benefit from the coordination tuning synergistic effect of the distinct chemical composition and the hierarchical structure for fast mass transportation, the as-obtained FeOOH@Ni-BDC illustrates excellent catalytic ability for electrochemical water oxidation with low overpotential of 270 mV to reach 10 mA/cm² current and good durability in alkaline electrolyte. The novelty of this work lies in the modulation of electronic structure of the FeOOH with Ni-BDC through coordination effect to enhance the activity of the hierarchical composite electrocatalyst. This work is expected to guide the preparation of efficient electrocatalyst for new type alternative energy sources exploitation in near future.     

Interaction of graphene,MnOx, and Ca2+ for enhanced biomimetic, ‘bubble-free’ oxygen evolution reaction at mild pH

Water electrolysis powered by renewable electricity will likely be critical to a future hydrogen economy. However, the typical use of strongly acidic or alkaline electrolytes necessitates the use of expensive materials, while bubbles add to capital and operational costs, due to blocking of the electrode surface and the necessary use of pumps and gas-liquid separators. Here ‘bubble-free’ oxygen evolution at mild pH is carried out using an electrocatalyst that mimics photosystem II (PSII). The bubble-free electrode includes a gas-extracting Gore-Tex® membrane. Edge-functionalised graphene (EFG) is included to mimic the metal-binding local protein environment, and the tyrosine residue, in the oxygen evolving complex (OEC) of PSII, while MnO_x and Ca²⁺ are incorporated to mimic the Mn₄CaO₅ cluster. Interaction between EFG, MnO_x, and Ca²⁺ results in a significant, 130 mV fall in the overpotential required to drive electrocatalytic oxygen evolution at 10 mA cm⁻², compared to the electrode without these biomimetic components.