金刚石膜微结构的慢正电子束测量研究

The microstructure of diamond films was studied by slow positron beam and Raman spectroscopy. For the Raman spectroscopy experiment on diamond films, a high fraction of the sp3 hybridized bond was detected in samples. Positron annihilation spectra analysis further illuminated that the concentration and types of defects were different in each sample. S-E curves of all samples showed that diamond crystal structures had obvious variation in each sample. These results indicated that positron annihilation spectroscopy was an effective means to measure microstructure of diamond films.     

Disordering and annealing of a Si surface under low-energy Si bombardment

Abstract

We simulated the bombardment of Si(100)(2 × 1) by Si atoms using molecular dynamics. The kinetic energies of the projectiles were 100 and 50 eV. To model the Si–Si-interactions the empirical potential of Stillinger and Weber with the two body part of the potential splined to the universal potential was used. A geometric criterion based on the Lindemann radius was defined to study damage in the Si target. We observed clusters of disordered Si atoms in the target induced by the bombardment. Large clusters of about 50 atoms are formed in the beginning of the bombardment; they shrink and decay into smaller clusters until and equilibrium cluster size of about 10 atoms is reached. Upon annealing at elevated temperature the disordered zones dissolve into point defects.     

水促进Co/Mo/Al2O3催化剂上碳纳米管的生长

对水促进Co/Mo/Al2O3催化剂裂解乙烯生长碳纳米管(CNTs)的研究发现,通入体积分数(φ)为0.6％的水蒸汽在1h内可将CNTs的生长倍率从3.7 g·g-1提高至70 g·g-1.水的作用在于恢复被无定形碳包覆的催化剂颗粒的活性,水的加入量由于其积碳(促进同体碳生成)和消碳(去除固体碳)的竞争作用而存在最佳值.不同反应时间下乙烯的转化率与有效催化剂含量的分析表明,在CNTs生长后期,水的催化促进作用减弱.将催化剂的相对活性与CNT聚团的相对密度关联发现,反应后期的CNTs主要在聚团内部缠绕生长,催化剂被包覆失活.拉曼测试与差热热重分析表明,生长阻力导致所得CNTs缺陷增多,CNT聚团密度变化与CNT缺陷间存在对应关系.聚团内外CNTs的生长阻力不同,生长倍率不同,导致产品纯度不均匀.     

螺旋型电磁超声辐射声场对缺陷检测影响的 计算机模拟*

电磁超声(EMAT)作为一种非接触超声检测技术，已得到了普遍的关注和研究。然而，EMAT目前只得到了一些有限的应用，尤其在缺陷探伤应用方面还不能替代压电超声，深入探究其原因并加以改进，对推动EMAT在缺陷检测方面的应用具有重要意义。利用有限元方法建立了螺旋型EMAT模型，分析了其辐射声场和声场特征；通过将有限元计算所得到的洛伦兹力分布简化为门函数，并结合格林函数法，得到了螺旋型EMAT辐射声场的简化解析结果。这些方法可用于计算螺旋型EMAT辐射声场指向性以及在缺陷检测中比较关心的一些特征参数，如扩散角、偏离角等参数。通过螺旋型EMAT辐射声场实验，验证了理论分析结果。通过与压电超声检测理论与实验的对比，研究认为：螺旋型EMAT辐射声场的具有横波和纵波等多种波模及多种模态转换的特点，以及相对复杂的异型声场几何分布等复杂特性，使其在缺陷检测应用方面受到局限。这些研究方法对改进EMAT设计，优化控制EMAT辐射声场，拓展EMAT在缺陷检测方面的应用具有参考价值。     

Managing Multiple Halide-Related Defects for Efficient and Stable Inorganic Perovskite Solar Cells

Halide-related surface defects on inorganic halide perovskite not only induce charge recombination but also severely limit the long-term stability of perovskite solar cells. Herein, adopting density functional theory calculation, we verify that iodine interstitials (I_i) has a low formation energy similar to that of the iodine vacancy (V_I) and is also readily formed on the surface of all-inorganic perovskite, and it is regarded to function as an electron trap. We screen a specific 2,6-diaminopyridine (2,6-DAPy) passivator, which, with the aid of the combined effects from halogen-N_pyridine and coordination bonds, not only successfully eliminates the I_i and dissociative I₂ but also passivates the abundant V_I. Furthermore, the two symmetric neighboring -NH₂ groups interact with adjacent halides of the octahedral cluster by forming hydrogen bonds, which further promotes the adsorption of 2,6-DAPy molecules onto the perovskite surface. Such synergetic effects can significantly passivate harmful iodine-related defects and undercoordinated Pb²⁺, prolong carrier lifetimes and facilitate the interfacial hole transfer. Consequently, these merits enhance the power-conversion efficiency (PCE) from 19.6 % to 21.8 %, the highest value for this type of solar cells, just as importantly, the 2,6-DAPy-treated CsPbI_3−xBr_x films show better environmental stability.     

A Dynamic Defect Generation Strategy for Efficient Enzyme Immobilization in Robust Metal-Organic Frameworks for Catalytic Hydrolysis and Chiral Resolution

Enzyme immobilization has been demonstrated to be a favorable protocol for promoting the industrialization of bioactive molecules, but still with formidable challenge. Addressing this challenge, we create a dynamic defect generation strategy for enzyme immobilization by using the dissociation equilibrium of metal-organic frameworks (MOFs) mediated by enzymes. Enzymes can act as “macro ligands” to generate competitive coordination against original ligands, along with the release of metal clusters of MOFs to generate defects, hence promoting the gradual transport of enzymes from the surface to inside. Various enzymes can be efficiently immobilized in MOFs to afford composites with good enzymatic activities, protective performances and exceptional reusabilities. Moreover, multienzyme bioreactors capable of efficient cascade reactions can also be generated. This study provides new opportunities to construct highly efficient biocatalysts incorporating different types of enzymes.     

Time-dependent Phosphorescence Color of Carbon Dots in Binary Salt Matrices through Activations by Structural Confinement and Defects for Dynamic Information Encryption

The emergence of time-dependent phosphorescence color (TDPC) materials has taken information encryption to high-security levels. However, due to the only path of exciton transfer, it is almost impossible to obtain TDPC for chromophores with a single emission center. Theoretically, in inorganic-organic composites, the exciton transfer of organic chromophores depends on the inorganic structure. Here, we assign two structural effects to inorganic NaCl by metal (Mg²⁺ or Ca²⁺ or Ba²⁺) doping, which triggers the TDPC performance of carbon dots (CDs) with a single emission center. The resulting material is used for multi-level dynamic phosphorescence color 3D coding to achieve information encryption. The structural confinement activates the green phosphorescence of CDs; while the structural defect activates tunneling-related yellow phosphorescence. Such simply doped inorganic matrices can be synthesized using the periodic table of metal cations, endowing chromophores with tremendous control over TDPC properties. This demonstration extends the design view of dynamic luminescent materials.     

Low-Dimensional Phase Regulation to Restrain Non-Radiative Recombination for Sky-Blue Perovskite LEDs with EQE Exceeding 15 %

Achieving efficient blue electroluminescence (EL) remains the fundamental challenge that impedes perovskite light-emitting diodes (PeLEDs) towards commercial applications. The bottleneck accounting for the inefficient blue PeLEDs is broadly attributed to the poor-emissive blue perovskite emitters based on either mixed halide engineering or reduced-dimensional strategy. Herein, we report the high-performing sky-blue PeLEDs (490 nm) with the maximum EQE exceeding 15 % by incorporating a molecular modifier, namely 4,4′-Difluorophenone, for significantly suppressing the non-radiative recombination and tuning of the low-dimensional phase distribution of quasi-2D blue perovskites, which represents a remarkable paradigm for developing the new generation of blue lighting sources.     

Indoor human detection based on micro-Doppler features in the presence of interference from moving clutter sources

In this paper, to address the problem of detecting the presence of human in indoor environments in the presence of moving clutter sources, an indoor human detection method that utilizes random forest to process micro-Doppler signatures and a single pair of TX/RX unit is proposed. In contrast to most of the existing methods that use both distance information and micro-Doppler information assuming no interference from moving clutter sources (window curtains, blinds, table fans, etc.), our proposed method relies only on micro-Doppler information for human detection in indoor environments with curtain and fan interferences. Based on our time–frequency analyses on the measured radar data, seven features, i.e., the mean and standard deviation of the doppler centroid, the mean and standard deviation of the span of envelopes, the silhouette size, the positive peak values, and the peak spread, are extracted from spectrograms. These features are fed into a random forest classifier for categorizing the state of a room into one of the five scenarios considered in this work, namely (1) a person entering the room, (2) a person leaving the room, (3) interference from curtain/blind, (4) interference from fan, and (5) an empty room. The proposed system has been validated using real-world experiments and be able to deliver an accuracy of 97.5% in classifying the scenarios.     

基于CiteSpace的内表面缺陷检测研究进展与趋势

为分析内表面缺陷检测的发展历程、趋势和研究动态，通过对WoS和CNKI数据库中该领域相关文献的检索，共搜集相关文献英文4 708篇，中文818篇，利用可视化分析软件CiteSpace对文献数据开展共现分析、聚类分析等知识图谱研究，分析内表面缺陷检测领域在国家、机构及研究人员层面的分布现状及合作情况，梳理研究热点和前沿趋势。研究发现内表面缺陷检测研究具有明显的多学科交叉属性，主要涉及分析化学、材料科学、光谱学、仪器仪表、机械工程和计算机等学科。近几年WoS数据库相关主题收录文献年增长率超过10%, CNKI年增长率超过20%,中美两国为本领域研究最为活跃的国家，两国发文量约占总发文量的40%,中国学者在无损检测、图像处理等领域的研究明显落后于国外学者，但在机器视觉和深度学习领域实现赶超。按照研究路线可将相关研究分为基于声光电热磁的检测和基于视觉成像的检测两类，其中前者包括采用不同技术手段获取光谱、超声和电磁图像并借助图像处理技术实现缺陷检测，而后者主要基于视觉图像进行缺陷识别和分类，目前已成为该领域主要的研究热点。内表面缺陷检测发展历程分为缺陷识别、缺陷分类、缺陷分析三个阶段，2000年...