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3D reconstruction of a million atoms by multiple-section local-orbital tomography

science Bulletin 2025年第1期70卷 64-69页

作者： Liangze Mao Jizhe Cui Rong Yu School of Materials Science and Engineering Tsinghua UniversityBeijing 100084China MOE Key Laboratory of Advanced Materials Tsinghua UniversityBeijing 100084China State Key Laboratory of New Ceramics and Fine Processing Tsinghua UniversityBeijing 100084China

Three-dimensional(3D)structural analysis is an important field in physical and biological *** exist two groups of electron microscopy methods that are capable of providing 3D structural information of an object,i.e.,electron tomography and depth *** tomography is capable of resolving atoms in all three dimensions,but the accuracy in atomic positions is low and the object size that can be reconstructed is *** sectioning methods give high positional accuracy in the imaging plane,but the spatial resolution in the third dimension is *** this work,electron tomography and depth sectioning are combined to form a method called multiple-section local-orbital tomography,or nLOT in *** nLOT method provides high spatial resolution and high positional accuracy in all three *** object size that can be reconstructed is extended to a million *** present method establishes a foundation for the widespread application of atomic electron tomography.

关键词： Atomic electron tomography Depth sectioning Local-orbital Atomic resolution

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Physical origin of planar linear dichroism in van der Waals semiconductors using main group elements

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science China(Information sciences) 2024年第12期67卷 291-301页

作者： Qiang GAO Yali YU Kaiyao XIN Ziqi ZHOU Hui-Xiong DENG Lin LI Xiaojie TANG Congxin XIA Duan-Yang LIU Jian-Bai XIA Jun KANG Zhongming WEI State Key Laboratory of Superlattices and Microstructures Institute of Semiconductors Chinese Academy of Sciences Beijing Computational Science Research Center Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences School of Physics Henan Key Laboratory of Photovoltaic Materials Henan Normal University School of Physics and Optoelectronic Engineering Zhengzhou Key Laboratory of Low-Dimensional Quantum Materials and Devices Zhongyuan University of Technology

The polarization of light can provide abundant information regarding the polarization degree,phase shift, and Jones vector, which is important in light communication, environmental scanning, quality inspection, etc. Recently, two-dimensional(2D) semiconductors have provided an ideal platform for detecting polarized light due to their remarkable and tunable linear dichroism(LD). However, the physical mechanism of the in-plane LD in 2D semiconductors has not been systematically investigated, limiting the further exploration of the 2D anisotropic semiconductors and the directionality of experiments on polarization photodetection. In this study, the in-plane LD of 100 types of 2D semiconductors composed of main group elements is investigated via first-principles theory combined with the decision tree algorithm and experimental measurement. The in-plane asymmetry of the lattice and band edge wavefunctions are the main origins of the in-plane LD. 2D semiconductors with in-plane orthorhombic and monoclinic lattices tend to have considerable in-plane LD, while their hexagonal counterparts are optically isotropic. Specifically, orthorhombic 2D semiconductors possess larger in-plane LD because their intrinsic mirror planes in the lattice induce in-plane parity of the wavefunctions at the band edges. The decision tree algorithm further reveals that in-plane LD is also related to the difference for the a and b lattice constants and the electronegativity difference between the cation and anion. In addition, heterostructures formed from these 2D semiconductors exhibit high light absorption, strong in-plane LD, and various types of band alignment. The result of our study can promote the application and development of 2D semiconductors in polarization optoelectronics.

关键词： 2D semiconductor linear dichroism optical properties in-plane symmetry main group elements

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Rapid system prototype-based physical simulation platforms for power systems with high penetration of inverter-based resources

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High Voltage 2025年第1期10卷 3-16页

作者： Wei Yao Yimin Ruan Yuying Chen Hongyu Zhou Jinyu Wen Meng Zhou Wenping Zuo State Key Laboratory of Advanced Electromagnetic Engineering and Technology School of Electrical and Electronic EngineeringHuazhong University of Science and TechnologyWuhanChina GridMind Technology(Wuhan)Co. LtdWuhanChina

The traditional power system dominated by synchronous generators is gradually evolving into a power system with high penetration of inverter-based resources(IBRs).In this paper,the new characteristics that arise from the high penetration of IBRs in power systems are *** light of these characteristics,current simulation technologies are inadequate and new requirements for the simulation platforms have been *** response,this paper introduces the rapid system prototype(RSP)-based physical simu-lation platforms,which include the digital simulator,the rapid prototype controller,and the rapid object-controlled *** addresses the time-consuming and labour-intensive shortcomings of traditional simulation techniques and meets the rapid evolu-tion needs of the power system with high penetration of *** with existing simulation platforms,RSP is a more suitable platform for the physical simulation of power systems with high penetration of *** the modular multilevel converter-based high-voltage direct current as a case study,a novel physical simulation platform for power systems based on RSP is *** results demonstrate that the RSP concept and technology can establish an enterprise-level simulation environment and engineering practice ***,it can provide realistic and flexible simu-lations of various characteristics of power systems with high penetration of IBRs.

关键词： system power inverter

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Polyphenol-mediated interfacial deposition strategy for supported manganese oxide catalysts with excellent pollutant degradation performance

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Chinese Chemical Letters 2024年第5期35卷 493-498页

作者： Dong Cheng Youyou Feng Bingxi Feng Ke Wang Guoxin Song Gen Wang Xiaoli Cheng Yonghui Deng Jing Wei The Key Laboratory of Biomedical Information Engineering of Ministry of Education State Key Lab of Transducer TechnologySchool of Life Science and TechnologyXi’an Jiaotong UniversityXi’an 710049China School of Environmental and Municipal Engineering Xi’an University of Architecture and TechnologyXi’an 710055China Department of Chemistry State Key Laboratory of Molecular Engineering of PolymersState Key Laboratory of Transducer TechnologyFudan UniversityShanghai 200433China Key Laboratory of Functional Inorganic Material Chemistry Ministry of EducationSchool of Chemistry and Materials ScienceHeilongjiang UniversityHarbin 150080China

In persulfate-based advanced oxidation process(PS-AOPs),fixing nanosized metal oxide on processable substrates is highly desirable to avoid the aggregation and loss of nanocatalysts during the practical ***,it is still challenging to develop a versatile strategy for the deposition of metal oxide nanocatalysts on various substrates with different physicochemical ***,polyphenols are utilized as a“molecular glue”and reductant to mediate the interfacial deposition of MnO_(2) nanocatalysts on different ***_(2) nanocatalysts were in-situ grown on macroscope mineral substrates(e.g.,airstone)via an interfacial redox strategy between tannic acid(TA)and oxidized KMnO4,and then employed as a fixed catalyst of peroxymonosulfate(PMS)activation for treating pharmaceutical and personal care products(PPCPs)in *** fixed MnO_(2) exhibited superior catalytic performance toward different PPCPS via a singlet oxygen(^(1)O_(2))-dominated nonradical oxidation *** in the secondary effluent of wastewater treatment plants could be effectively removed by a fixed-bed column of the fixed MnO_(2) with long term *** cycle of Mn^(4+)/Mn^(3+)and surface hydroxyl group of the fixed MnO_(2) was proved to be responsible for the activation of *** work provides a new avenue for developing fixed metal oxides for sustainable water treatment.

关键词： Redox strategy Manganese oxides Fixed catalyst Peroxymonosulfate PPCPs

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Pyrrole-type TM-N_(3)sites as high-efficient bifunctional oxygen reactions electrocatalysts:From theoretical prediction to experimental validation

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Journal of Energy Chemistry 2025年第5期104卷 472-481页

作者： Chunxia Wu Yanhui Yu Yiming Song Peng Rao Xingqi Han Ying Liang Jing Li Kai Zhang Zhenjie Zhang Peilin Deng Xinlong Tian Daoxiong Wu School of Marine Science and Engineering School of Chemistry and Chemical EngineeringState Key Laboratory of Marine Resource Utilization in South China SeaHainan UniversityHaikou 570228HainanChina Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education) Nankai UniversityTianjin 300071China

Efficient catalysis of the oxygen reduction reaction(ORR)and oxygen evolution reaction(OER)is essential for the rechargeable zinc-air batteries(R-ZABs).However,challenges remain due to the scarcity of effective bifunctional electrocatalysts and limited understanding of the structure-activity ***-type single-atom catalysts(SACs)with unique electronic structures have emerged as promising *** this work,we combine density functional theory(DFT)calculations and experimental studies to systematically explore the structure-activity relationships and potential of pyrrole-type transition metal-N_(3)(TM-po-N_(3))as bifunctional *** calculations reveal that differences in the dependence of ORR and OER activities on the free energy of adsorption of reaction intermediates significantly affect the TM-po-N_(3)bifunctional activity and identify magnetic Cu-po-N_(3)as the best *** bifunctional activity of Cu-po-N_(3)originates from interactions between spin-polarized out-of-plane Cu_3d and O_2s+2p *** predictions are validated experimentally,showing that the synthesized Cu-SAC/NC exhibits excellent bifunctional performance with a small potential gap of 0.666 ***,the assembled R-ZABs display a high-power density of 170 mW cm^(-2)and long-term stability,with the charge-discharge voltage gap increasing by only 0.01 V over 240 *** work provides new insights into the design of efficient bifunctional catalysts.

关键词： Rechargeable zinc-air battery Oxygen evolution reaction Oxygen reduction reaction Single-atom catalysts Structure-activity relationship

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Precipitation Behavior of MnS Inclusion in Unidirectionally-solidified Fe–18Mn–1Al–0.3C Steels

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Tetsu-To-Hagane/Journal of the Iron and Steel Institute of Japan 2025年第3期111卷 122-130页

作者： Fan, Yuewen Kameda, Kouki Hu, Xiaojun Matsuura, Hiroyuki State Key Laboratory of Advanced Metallurgy University of Science and Technology Beijing China Department of Materials Engineering Graduate School of Engineering The University of Tokyo Japan

In order to reasonably control the precipitation of inclusions during solidification in TWIP steels, the precipitation behavior of typical MnS inclusions in high manganese steel was investigated by unidirectional solidification experiments. Through the combined analyses using ASEM-EDS, optical microscope, and thermodynamic calculation, it was found that Mn concentration in the liquid metal region were higher than those in the solid metal region. Furthermore, closer to the inclusion the liquid phase was, higher its Mn content was. In Fe–18mass%Mn–1Al–0.3C, MnS inclusions can precipitate at the positions located in the junction of dendrites at the end of the solidification (solid fraction fS = 0.96), Mn content reaching 34.88 mass%. Already existing Al2O3 particles could become the core of MnS to form composite inclusions to promote the MnS precipitation during the solidification process. When fS achieved 0.7 leading the Mn segregation in the liquid phase to 25 mass%, MnS starts to precipitate to attach the Al2O3 surface to form composite inclusion. © 2025 The Iron and Steel Institute of Japan.

关键词： Manganese steel

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Omni-Detection of Adversarial Examples with Diverse Magnitudes

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China Communications 2024年第12期21卷 139-151页

作者： Ke Jianpeng Wang Wenqi Yang Kang Wang Lina Ye Aoshuang Wang Run Key Laboratory of Aerospace Information Security and Trusted Computing(Wuhan University) Ministry of EducationWuhan 430072China School of Cyber Science and Engineering Wuhan UniversityWuhan 430072China

Deep neural networks(DNNs)are poten-tially susceptible to adversarial examples that are ma-liciously manipulated by adding imperceptible pertur-bations to legitimate inputs,leading to abnormal be-havior of *** of methods have been pro-posed to defend against adversarial ***-ever,the majority of them are suffering the follow-ing weaknesses:1)lack of generalization and prac-ticality.2)fail to deal with unknown *** ad-dress the above issues,we design the adversarial na-ture eraser(ANE)and feature map detector(FMD)to detect fragile and high-intensity adversarial examples,***,we apply the ensemble learning method to compose our detector,dealing with adver-sarial examples with diverse magnitudes in a divide-and-conquer *** results show that our approach achieves 99.30%and 99.62%Area un-der Curve(AUC)scores on average when tested with various Lp norm-based attacks on CIFAR-10 and Im-ageNet,***,our approach also shows its potential in detecting unknown attacks.

关键词： adversarial example detection ensemble learning feature maps fragile and high-intensity ad-versarial examples

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Effect of temperature on surface fluid sediment properties with cyanobacterial bloom biomass accumulation

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Journal of Environmental sciences 2025年第6期152卷 111-121页

作者： Chunliu Wang Da Xu Bosong Zhu Leilie Bai Lei Huang Helong Jiang School of the Environment and Safety Engineering Jiangsu UniversityZhenjiang 212013China State Key Laboratory of Lake Science and Environment Nanjing Institute of Geography and LimnologyChinese Academy of SciencesNanjing 210008China College of Biology and the Environment Nanjing Forestry UniversityNanjing 210037China State Key Laboratory of High Performance Civil Engineering Materials Jiangsu Sobute New Materials Co.Ltd.Nanjing 210008China State Key Laboratory of Hydroscience&Engineering Department of Hydraulic EngineeringTsinghua UniversityBeijing 100084China

In eutrophic shallow lakes,cyanobacterial blooms will occur frequently and then settle into sediment,leading the formation of fluid *** factors including temperature can influence surface sediment *** this study,the influence of temperatures on surface sediment properties was determined in microcosm experiments through monitoring sediment physicochemical and rheological *** one-month incubation,it was found that surface sediment density and water content varied exponentially with increase in temperatures from 10 to 35℃.The results of particle size distribution indicated that cyanobacterial blooms biomass(CBB)degradation in sediment led to sediment flocculation and *** themeantime,therewere high ratios polysaccharide/protein in extracellular polymeric substances(EPSs),which enhanced the sediment particle ***,the yield stress in rheological test for sediment with(R^(2)=0.97)and without(R^(2)=0.85)CBB presented an exponential decay with increase in *** a threshold value at 20℃ for sediment critical shear stress(τ_(cr))indicated that sediment could be resuspended easier when temperature was more than 20℃.Altogether,this study showed that the increase in temperatures with a threshold at 20℃,can cause sediment particle flocculation,resulting in a loose and fragile *** the results would be helpful to sediment management considering environmental effects of sediment suspension for eutrophication shallow lakes.

关键词： Cyanobacterial blooms Temperature Fluid sediment Physicochemical properties Yield shear stress

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Unveiling size-fluorescence correlation of organic nanoparticles and its use in nanoparticle size determination

Aggregate

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Aggregate 2024年第1期5卷 331-336页

作者： Wu-Jie Guo Shixiang Ma Hui Wang Lu Qiao Lei Chen Chenyu Hong Bin Liu Xiaoyan Zheng Hui-Qing Peng State Key Laboratory of Chemical Resource Engineering Beijing Advanced Innovation Center for Soft Matter Science and EngineeringBeijing University of Chemical TechnologyBeijingChina Key Laboratory of Cluster Science of Ministry of Education Beijing Key Laboratory of Photoelectronic/Electro-photonic Conversion MaterialsKey Laboratory of Medicinal Molecule Science and Pharmaceutics Engineering of Ministry of Industry and Information TechnologySchool of Chemistry and Chemical EngineeringBeijing Institute of TechnologyBeijingChina

Quantitatively establishing the correlation between nanoparticle size and fluorescence is essential for understanding the behavior and functionality of fluorescent nanoparticles(FNPs).However,such exploration focusing on organic FNPs has not been achieved to ***,we employ the use of supramolecular polymeric FNPs prepared from tetraphenylethylene-based bis-ureidopyrimidinone monomers(bis-UPys)to relate the size to the fluorescence of organic *** an equal concentration of bis-UPys,a logarithmic relationship between them is built with a correlation coefficient higher than *** calculations indicate that variations in fluorescence intensity among FNPs of different sizes are attributed to the distinct molecular packing environments at the surface and within the interior of the *** leads to different nonradiative decay rates of the embedded and exposed bis-UPys and thereby changes the overall fluorescence quantum yield of nanoparticles due to their different specific surface *** established fluorescence intensity-size correlation possesses fine universality and reliability,and it is successfully utilized to estimate the sizes of other nanoparticles,including those in highly diluted dispersions of *** work paves a new way for the simple and real-time determination of nanoparticle sizes and offers an attractive paradigm to optimize nanoparticle functionalities by the size effect.

关键词： aggregation-induced emission fluorescence detection fluorescent nanoparticle nanoparticle size supramolecular polymer

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Understanding the interfacial properties of benzene alkylation with 1-dodecene catalyzed by immobilized chloroaluminate ionic liquids using molecular dynamics simulation

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Green Chemical engineering 2023年第3期4卷 338-345页

作者： Weizhong Zheng Jialei Sha Weizhen Sun Ling Zhao State Key Laboratory of Chemical Engineering School of Chemical EngineeringEast China University of Science and TechnologyShanghai200237China

Benzene alkylation catalyzed by immobilized ionic liquids(ILs)on solid carriers is considered as a heterogeneous reaction,in which the interfacial properties play an important ***,the interfacial characteristics between benzene/1-dodecene mixture and immobilized chloroaluminate ILs with different alkyl chain length on the silica substrate were investigated by molecular dynamics *** grafted ILs can obviously promote the enrichment of benzene near the interface,leading to a higher ratio of benzene to dodecene,and the interfacial width increases slightly with increased alkyl chain of grafted *** the same time,the grafted cations can also enhance the benzene diffusion and suppress the dodecene diffusion at the interface,which probably helps to inhibit the inactivation of *** work provides deeply insights into the rational design of novel immo-bilized ILs catalysts for the benzene alkylation.

关键词： Benzene alkylation Interfacial property Molecular dynamics simulation Immobilized ionic liquids

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