摘要：From both fundamental and practical perspectives, the production of chemicals from biomass re-sources using high-efficiency non-precious metal catalysts is important. However, many processes require addition of stoichiometric or excess quantities of base, which leads to high energy consump-tion, leaching problems, and side reactions. In this study, we investigated the high-efficiency oxida-tive esterification of furfural to methylfuroate by molecular oxygen with a Co-N-C/MgO catalyst. The catalyst was prepared by direct pyrolysis of a cobalt（Ⅱ） phenanthroline complex on MgO at 800℃ under N2 atmosphere. From furfural, 93.0% conversion and 98.5% selectivity toward methylfuroate were achieved under 0.5 MPa O2 with reaction at 100 ℃ for 12 h without a basic additive. The con-version and selectivity were much higher than those obtained with cobalt catalysts produced by pyrolysis of a cobalt（Ⅱ） phenanthroline complex on activated carbon or typical basic supports, in-cluding NaX, NaY, and CaO. X-ray photoelectron spectroscopy, X-ray diffraction, transmission elec-tron microscopy, and experimental results revealed that the high efficiency of Co-N-C/MgO for pro-duction of methylfuroate was closely related to the cobalt-nitrogen-doped carbon species and its catalytic ability in hydrogen abstraction. In contrast, Co-N-C（HCl） that synthesized by removing MgO with HCl from Co-N-C/MgO, as the catalyst produced mainly an acetal as a condensation prod-uct, and chloride ions had a negative effect on the oxidative esterification. Although the catalytic performance of the cobalt-nitrogen-doped carbon species was greatly affected by HCl treatment, it could be recovered to a great extent by addition of MgO. Moreover, changes in the oxygen pressure hardly affected the oxidative esterification of furfural with Co-N-C/MgO. This study not only pro-vides an effective approach to prepare methylfuroate, but also for designing high-performance non-precious metal catalysts for

摘要：Heterogeneous gold nanocatalysts have both inspired researchers with their unique catalytic performance and frustrated them due to the contradictions observed in their activities and stabilities.A recent breakthrough has shown that gold nanoparticles(NPs)can retain their catalytically active size over a MgGa2O4 spinel support upon sintering at high ***,we report the catalytic activity of anti-sintering AuGMgGa2O4 for use in water gas shift reaction(WGSR)and catalytic combustion reactions,and the promoting effect of *** adding ceria to 800℃-aged AuGMgGa2O4,the CO conversion in the WGSR was increased from ~1.5% to ~34.0% at 450 ℃,and the “light-off” temperatures(T50)for methane combustion and CO oxidation were decreased by ~80 and ~100 ℃,*** using XRD,HAADF-STEM,EDS mapping,H2-TPR,XPS,and DRIFTs confirmed the proximate contact of Au with ceria and their significant synergistic effect,which thereby combined the benefits of ceria toward the dissociation of H2O or O2 and the Au NPs toward activating CO or *** results show that this stepwise stabilization-activation strategy is efficient for rationally constructing stable and active gold nanocatalysts,which may open up possibilities for the wide application of gold nanocatalysts at elevated temperatures.

摘要：Metasurfaces in the long wave infrared(LWIR)spectrum hold great potential for applications in ther-mal imaging,atmospheric remote sensing,and target identification,among *** this study,we designed and experimentally demonstrated a 4 mm size,all-silicon metasurface metalens with large depth of focus opera-tional across a broadband range from 9µm to 11.5µ*** experimental results confirm effective focusing and imaging capabilities of the metalens in LWIR region,thus paving the way for practical LWIR applications of met-alens technology.

摘要：Three new asymmetric acceptor-donor-acceptor structured molecules are designed and synthesized by incorporating indenothiophene as the central core. Their bandgaps and energy levels can be easily tuned by varying the electron withdrawing ability of the terminal groups such as dicyanovinyl, 3-ethylrhodanine, and 2-（1,1-dicyanomethylene）-3-ethyl-rhodanine. Inverted polymer solar cells using these molecules as acceptors and PTB7-Th as a donor material afford a highest power conversion efficiency of 7.49% with a high open circuit voltage of 1.02 V as well as a low energy loss of 0.59 eV.

摘要：Thermoelectric(TE)devices can realize the conversion of heat energy and electrical power based on Seebeck effect and Peltier *** them,flexible TE devices have received more attention recently due to their better attachment to various heat sources and aimed components with arbitrary *** improve the performance of flexible TE devices for various application scenarios,large efforts have been made to design the leg patterns,the electrical and thermal contact issues,and the substrate and encapsulation materials for the decrease of heat *** paper is to review the advancements about the design of flexible inorganic TE devices over the last ***,the design of flexible thin-film TE devices based on the direction of temperature gradient,including the patterns of TE legs,the fabrication methods,and the flexible substrate materials is ***,the design of wearable TE devices that contains common architecture of the module,the substrates and encapsulations,the electrical and thermal contact,and some thin-film based wearable devices with curving TE legs is ***,the characterizations of the flexibility of TE devices and the current applications are ***,some views about the future development for TE devices are proposed.

摘要：本文报道了一台结合电喷雾离子源和双反射飞行时间质谱的速度成像光电子能谱仪的研制过程,其可用于开展溶液中负离子的光电子能谱研究.在该装置中,电喷雾离子源产生的负离子由四极杆组成的离子引导系统传输至冷离子阱,并对负离子进行富集和冷却,用于后端的质量选择和光电子能谱探测.该装置的关键技术之一是将双反射质量分析器与Wiley-McLaren离子加速聚焦设计进行了串联:这样可以有效地提高质谱分辨,从而准确地选择目标离子,其质量分辨率(M/△M)可达2000以上.该装置的高分辨光电子速度成像系统采用多极电子透镜设计,对于动能为0.59eV的光电子,其能谱峰的半高宽约为5.8meV,相对分辨率为~0.98%本文对该装置的工作原理,结构设计和性能测试情况进行了详细阐述。

摘要：镁二次电池具有安全性高、价格低廉等优点,是一种具有潜在应用前景的高能量密度电池体系.目前,镁二次电池的研究重点之一是寻找合适的电极材料.最近,我们通过水热和热处理相结合的方法成功制备了具有三维导电网络结构的锡纳米颗粒/石墨烯纳米片复合电极材料.研究发现,在石墨烯的三维导电网络片层上,均匀分布了粒径小于100 nm的锡纳米颗粒.将锡纳米颗粒/石墨烯纳米片复合材料作为镁二次电池电极材料,当电流密度为15 mA·g^(-1)和300 mA·g^(-1)时,首次放电容量分别达到了545.4 mAh·g^(-1)和238.8 mAh·g^(-1),经过150圈后,容量保持率达到了93%,库伦效率为99%,表现出了较高的电化学活性.研究还发现,镁离子嵌入复合材料中形成镁锡合金,当镁离子脱出后,再次形成锡纳米颗粒/石墨烯纳米片复合电极材料,镁离子的脱出和嵌入具有很高的可逆性.这对未来研究设计高性能镁离子电极材料具有十分重要的意义.

摘要：平带系统由于平带自身不存在结构,是研究由电子——电子关联导致的各种新奇物理效应的理想量子平台.因此,从理论上寻找各种新型的平带系统就十分的重要.实现一个平带的核心要素是找到系统中蕴含的紧局域激发.本文开发了一种系统的方法,从一个简单的一维链出发,通过一系列有约束的变形,得到存在一个在边缘处波函数完全相干相消激发的一个有限系统.利用该方法构造的有限系统经过简单平移和组合就可以产生各种新型二维平带系统.此时,这些被构造出来的有限系统中,边缘处波函数完全相干相消的激发就构成了这些新型二维平带系统中的紧局域态.此外,作者还证明了该方法可以扩展到准晶和多轨道平带系统的构造中,并将这种设计方法扩展到了三维平带系统的构造中.

摘要：Thanks to the fast improvement of the computing power and the rapid development of the computational chemistry and biology,the computer-aided drug design techniques have been successfully applied in almost every stage of the drug discovery and development pipeline to speed up the process of research and reduce the cost and risk related to preclinical and clinical *** to the development of machine learning theory and the accumulation of pharmacological data, the artificial intelligence(AI) technology, as a powerful data mining tool, has cut a figure in various fields of the drug design, such as virtual screening,activity scoring, quantitative structure-activity relationship(QSAR) analysis, de novo drug design, and in silico evaluation of absorption, distribution, metabolism, excretion and toxicity(ADME/T) properties. Although it is still challenging to provide a physical explanation of the AI-based models, it indeed has been acting as a great power to help manipulating the drug discovery through the versatile frameworks. Recently, due to the strong generalization ability and powerful feature extraction capability,deep learning methods have been employed in predicting the molecular properties as well as generating the desired molecules,which will further promote the application of AI technologies in the field of drug design.

摘要：Formic acid(FA)has attracted extensive attention as a hydrogen storage ***,we develop two heterogeneous catalysts based on porous organic polymers(POPs).After loading the Ru species,the catalyst bearing the triphenylphosphine ligand showed excellent performance in terms of activity and stability for the decomposition of FA to produce hydrogen.