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Probing the electric double layer structure at nitrogen-doped graphite electrodes by constant-potential molecular dynamics simulations

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Journal of Energy Chemistry 2024年第6期93卷 299-305,I0008页

作者： Legeng yu Nan Yao yu-chen gao Zhong-Heng Fu Bo Jiang Ruiping Li cheng Tang Xiang chen Tsinghua Center for Green Chemical Engineering Electrification(CCEE) Department of Chemical EngineeringTsinghua UniversityBeijing 100084China Beijing Advanced Innovation Center for Materials Genome Engineering Institute for Advanced Materials and TechnologyUniversity of Science and Technology BeijingBeijing 100083China National Materials Corrosion and Protection Data Center University of Science and Technology BeijingBeijing 100083China Ordos Carbon Neutral Research and Application Co. Ltd.Ordos 017010Inner Mongoli1China Institute for Carbon Neutrality Tsinghua UniversityBeijing 100084China Center for Next-Generation Energy Materials and School of Chemical Engineering Sungkyunkwan University2066 Seobu-roJangan-guSuwon-siGyeonggi-do 16419Republic of Korea

Electric double layer(EDL)is a critical topic in electrochemistry and largely determines the working performance of lithium ***,atomic insights into the EDL structures on heteroatom-modified graphite anodes and EDL evolution with electrode potential are very ***,a constant-potential molecular dynamics(CPMD)method is proposed to probe the EDL structure under working conditions,taking N-doped graphite electrodes and carbonate electrolytes as an *** interface model was developed,incorporating the electrode potential and atom *** a result,an insightful atomic scenario for the EDL structure under varied electrode potentials has been established,which unveils the important role of doping sites in regulating both the EDL structures and the following electrochemical reactions at the atomic ***,the negatively charged N atoms repel the anions and adsorb Li~+at high and low potentials,*** preferential adsorption suggests that Ndoped graphite can promote Li~+desolvation and regulate the location of Li~+*** CPMD method not only unveils the mysterious function of N-doping from the viewpoint of EDL at the atomic level but also applies to probe the interfacial structure on other complicated electrodes.

关键词： Lithium batteries Graphite N-doping Electric double layer Molecular dynamics Constant potential method Electrode potential

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Study on thermal cycling ageing resistance of performances of polypropylene/elastomer/boron nitride nanocomposites for high voltage direct current cable insulation

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HIGH VOLTAGE 2024年第3期9卷 556-565页

作者： Li, Jing gao, yu Song, Zheng Liu, Baixin Guo, chenyi chen, yu gao, Junguo Du, Boxue Tianjin Univ Sch Elect & Informat Engn Tianjin Peoples R China State Grid Tianjin chengxi Elect Power Supply Bran Tianjin Peoples R China Xi An Jiao Tong Univ State Key Lab Elect Insulat & Power Equipment Xian Peoples R China Harbin Univ Sci & Technol Key Lab Engn Dielect & Its Applicat Minist Educ Harbin Peoples R China

The influences of thermal cycling ageing on structures and insulation performances of polypropylene (PP)/elastomer/boron nitride (BN) nanocomposites are investigated. The Melt blending method was used to prepare the nanocomposites, in which propylene-based elastomer (PBE) or ethylene-octene copolymer elastomer (EOC) was contained for comparison. Then, the samples were treated using a thermal cycling process with a temperature range from -30 to 150 degrees C, and the number of thermal cycles was set from 0 to 15. Scanning electron microscope (SEM), Fourier transform infrared spectroscopy (FTIR), differential scanning calorimetry and X-ray diffraction measurements were taken to facilitate the comprehension of structural changes. Additionally, measurements were taken to assess the trap distribution and direct current (DC) breakdown strength of the samples. The obtained results revealed that following thermal cycling ageing, the morphology and crystallinity of PP/PBE/BN remained almost unchanged. In contrast, PP/EOC/BN exhibited substantial microstructural damage accompanied by a significant reduction in crystallinity. As the number of thermal cycles increased, the trap level and DC breakdown strength of PP/PBE/BN were maintained at high levels, while those of PP/EOC/BN initially remained stable but then experienced a sharp decline. It is suggested that the addition of BN nanoparticles enhances the thermal cycling ageing resistance of the PP/PBE blend, whereas it weakens this resistance of the PP/EOC blend.

关键词： POLYPROPYLENE IRRADIATION BEHAVIOR DEGRADATION

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Quick-scanning X-ray absorption fine structure beamline at SSRF

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Nuclear Science and Techniques 2024年第6期35卷 1-13页

作者： yu chen Qian gao Zheng Jiang Jiong Li Shuo Zhang Shanghai Synchrotron Radiation Facility Shanghai Advanced Research InstituteChinese Academy of SciencesShanghai 201204China National Synchrotron Radiation Laboratory University of Science and Technology of ChinaHefei 230029China

The layout and characteristics of the hard X-ray spectroscopy beamline(BL11B)at the Shanghai synchrotron radiation facility are described ***11B is a bending-magnet beamline dedicated to conventional and millisecond-scale quick-scanning X-ray absorption fine *** is equipped with a cylindrical collimating mirror,a double-crystal monochromator comprising Si(111)and Si(311),a channel-cut quick-scanning Si(111)monochromator,a toroidal focusing mirror,and a high harmonics rejection *** can provide 5-30 keV of X-rays with a photon flux of~5×10^(11)photons/s and an energy resolution of~1.31×10^(-4)at 10 *** performance of the beamline can satisfy the demands of users in the fields of catalysis,materials,and environmental *** paper presents an overview of the beamline design and a detailed description of its performance and capabilities.

关键词： Bending magnet beamline X-ray absorption fine structure Quick-scanning XAFS In situ Synchrotron radiation

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MUS Model:A Deep Learning-Based Architecture for IoT Intrusion Detection

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Computers, Materials & Continua 2024年第7期80卷 875-896页

作者： yu Yan yu Yang Shen Fang Minna gao Yiding chen College of Information Engineering University of Engineering of the Chinese People’s Armed Police Force(PAP)Xi’an710000China College of Missile Engineering Rocket Force Engineering UniversityXi’an710000China

In the face of the effective popularity of the Internet of Things(IoT),but the frequent occurrence of cybersecurity incidents,various cybersecurity protection means have been proposed and *** them,Intrusion Detection System(IDS)has been proven to be stable and ***,traditional intrusion detection methods have shortcomings such as lowdetection accuracy and inability to effectively identifymalicious *** address the above problems,this paper fully considers the superiority of deep learning models in processing highdimensional data,and reasonable data type conversion methods can extract deep features and detect classification using advanced computer vision techniques to improve classification *** TransformField(MTF)method is used to convert 1Dnetwork traffic data into 2D images,and then the converted 2D images are filtered by UnsharpMasking to enhance the image details by sharpening;to further improve the accuracy of data classification and detection,unlike using the existing high-performance baseline image classification models,a soft-voting integrated model,which integrates three deep learning models,MobileNet,VGGNet and ResNet,to finally obtain an effective IoT intrusion detection architecture:the MUS *** types of experiments are conducted on the publicly available intrusion detection dataset CICIDS2018 and the IoT network traffic dataset N_BaIoT,and the results demonstrate that the accuracy of attack traffic detection is greatly improved,which is not only applicable to the IoT intrusion detection environment,but also to different types of attacks and different network environments,which confirms the effectiveness of the work done.

关键词： Cyberspace security intrusion detection deep learning Markov Transition Fields(MTF) soft voting integration

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Dynamic Modeling of Key Operating Parameters for Supercritical Circulating Fluidized Bed Units based on Data-Knowledge-Driven Method

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Journal of Thermal Science 2024年第3期33卷 1216-1230页

作者： yu Haoyang gao Mingming ZHANG Hongfu chen Jiyu LIU Jizhen yuE Guangxi The State Key Laboratory of Alternate Electrical Power System with Renewable Energy Sources School of Control and Computer EngineeringNorth China Electric Power UniversityBeijing102206China CHN Energy New Energy Technology Research Institute Co. Ltd.Beijing102209China Department of Energy and Power Engineering Tsinghua UniversityBeijing100084China

To address the pressing need for intelligent and efficient control of circulating fluidized bed(CFB)units,it is crucial to develop a dynamic model for the key operating parameters of supercritical circulating fluidized bed(SCFB)***,data-knowledge-driven dynamic model of bed temperature,load,and main steam pressure of the SCFB unit has been ***,a knowledge-driven method is employed to develop a dynamic model for key operating parameters of SCFB *** model parameters are determined based on the operating data of the unit and continuously optimized in real ***,Bidirectional Long Short-Term Memory combined with Convolutional Neural Network and Attention Mechanism is utilized to build the dynamic model of bed temperature,load,and main steam ***,a collaboration and integration method based on the critic weight method and the variation coefficient method is proposed to establish data-knowledge-driven model of key operating parameters for SCFB *** model displays great accuracy and fitting ability compared with other methods and effectively captures the dynamic characteristics,which can provide a research basis for the design of intelligent flexible control mode of SCFB unit.

关键词： circulating fluidized bed dynamic model data-knowledge-driven method deep learning power plant

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Reconstruction of Postinfarcted Cardiac Functions Through Injection of Tanshinone ⅡA@Reactive Oxygen Species-Sensitive Microspheres Encapsulated in a Thermoreversible Hydrogel

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Energy & Environmental Materials 2024年第2期7卷 187-199页

作者： Ling yu yubin Liang Lei gao Peipei chen Zhiqiang yu Minzhou Zhang Aleksander Hinek Shuai Mao Second Clinical College Guangzhou University of Chinese MedicineGuangzhou 510120China Department of Critical Care Medicine Guangdong Provincial Hospital of Chinese MedicineGuangzhou 510120China Guangdong Provincial Branch of National Clinical Research Centre for Chinese Medicine Cardiology Guangzhou 510120China Department of Radiation Medicine and Applied Sciences University of California San DiegoLa JollaCalifornia 92093USA Department of Laboratory Medicine Dongguan Institute of Clinical Cancer ResearchAffiliated Dongguan HospitalSouthern Medical UniversityDongguan 523018China Translational Medicine Hospital for Sick ChildrenToronto M5G 0A4Canada

Myocardial damage resulting from acute myocardial infarction often leads to progressive heart failure and sudden death,highlighting the urgent clinical need for effective ***,tanshinoneⅡA has been identified as a promising therapeutic agent for myocardial ***,efficient delivery remains a major issue that limits clinical *** address this problem,an injectable thermosensitive poly(lactic acid-co-glycolic acid)-block-poly(ethylene glycol)-block-poly(lactic acid-co-glycolic acid)gel(PLGA-PEG-PLGA)system encapsulating tanshinoneⅡA-loaded reactive oxygen species-sensitive microspheres(Gel-MS/tanshinoneⅡA)has been designed and synthesized in this *** thermosensitive hydrogel exhibits good mechanical properties after reaching body *** initially immobilized by the gel exhibit excellent reactive oxygen species-triggered release properties in a high-reactive oxygen species environment after myocardial infarction *** a result,encapsulated tanshinoneⅡA is effectively released into the infarcted myocardium,where it exerts local anti-pyroptotic and anti-inflammatory ***,the combined advantages of this technique contribute to the mitigation of left ventricular remodeling and the restoration of cardiac function following tanshinoneⅡ***,this novel,precision-guided intra-tissue therapeutic system allows for customized local release of tanshinoneⅡA,presenting a promising alternative treatment strategy aimed at inducing beneficial ventricular remodeling in the post-infarct heart.

关键词： myocardial infarction ROS-sensitive polymer tanshinoneⅡA thermoreversible hydrogel ventricular remodeling

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Geometric and defects engineering collaboration for enhanced cascade enzymatic nanoreactors

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Nano Research 2024年第4期17卷 2451-2461页

作者： Zhichao yu Ruijin Zeng Hexiang Gong yuan gao Shuyun chen yunsen Wang Dianping Tang Key Laboratory for Analytical Science of Food Safety and Biology(MOE&Fujian Province) Department of ChemistryFuzhou UniversityFuzhou 350108China

Highly evolved multi-enzyme cascade catalytic reactions in organisms facilitate rapid transfer of substrates and efficient conversion of intermediates in the catalytic unit,thus rationalizing their efficient *** this study,pore-ordered mesoporous single-atom(Fe)nitrogen-doped carbon nanoreactors(Mp-Fe-CN)were designed,in which a reasonable pore size was designed as a natural enzyme trap coupled to a simulated enzyme center.A polarity-mediated strategy was developed to obtain atomically dispersed nanoporous substrates,with the finding that polarity-guided engineering of the nitrogen-ligand environment and vacancy cluster defects clearly affects nanoporous activity,accompanied by appreciable mesoporous pore size *** active center and distal N atom coordination of Fe-N_(4) affect the catalytic process of the nanozyme exposed by density functional theory(DFT),determining the contribution of hybridized orbitals to electron transfer and the decisive step.A cascade nanoreactor-based domain-limited sarcosine oxidase developed for non-invasive monitoring of sarcosine levels in urine for evaluation of potential prostate carcinogenesis as a proof of *** on the design of surface mesoporous channels of nanocatalytic units,a bridge was built for the interaction between nanozymes and natural enzymes to achieve cascade nanocatalysis of natural enzymatic products.

关键词： nanozyme single-atom catalyst bioreactor cascade catalysis non-Invasive sensing

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Full-parameter omnidirectional transformation optical devices

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National Science Review 2024年第3期11卷 92-99页

作者： yuan gao yu Luo Jingjing Zhang Zhengjie Huang Bin Zheng Hongsheng chen Dexin Ye Interdisciplinary Center for Quantum Information State Key Laboratory of Extreme Photonics and InstrumentationZJU-Hangzhou Global Scientific and Technological Innovation CenterZhejiang University School of Electrical and Electronic Engineering Nanyang Technological University CNRS-InternationalNTU-Thales Research Alliance Nanyang Technological University Institute of Electromagnetic Space Southeast University State Key Laboratory of Millimeter Waves Southeast University International Joint Innovation Center The Electromagnetics Academy at Zhejiang University Zhejiang University Key Laboratory of Advanced Micro/Nano Electronic Devices&Smart Systems of Zhejiang Jinhua Institute of Zhejiang UniversityZhejiang University Shaoxing Institute of Zhejiang University Zhejiang University

Transformation optics(TO) provides an unprecedented technique to control electromagnetic(EM) waves by engineering the constitutive parameters of the surrounding medium through a proper spatial transformation. In general, ideal transformation optical devices require simultaneous electric and magnetic responses along all three dimensions. To ease the practical implementation, previous studies usually made use of reduced parameters or other simplified approaches, which inevitably introduce extra reflection or unwanted phase shift. Up to today, experimental realizations of full-parameter transformation optical devices in free space are still quite limited. Here, a general design strategy is proposed to solve this *** a specific example, a full-parameter spatial-compression TO medium with constitutive parameters taking the diagonal form diag(a, a, 1/a) for the TM wave incidence was designed and realized experimentally. Such spatial-compression TO media were then applied to the implementation of an ideal omnidirectional invisibility cloak capable of concealing a large-scale object over a wide range of illumination angles. Both the simulation and experiment confirm that the cloak allows for nearly unity transmission of EM waves in the forward direction without introducing extra scattering or phase shift. This work constitutes an important stepping stone for future practical implementation of arbitrary full-parameter omnidirectional transformation optical devices.

关键词： transformation optical devices omnidirectional impedance matching full-parameter invisibility cloak

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Insights on selective Pb adsorption via O 2p orbit in UiO-66 containing rich-zirconium vacancies

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Chinese Chemical Letters 2024年第8期35卷 357-361页

作者： yu-Hang Li Shuai gao Lu Zhang Hanchun chen Chong-chen Wang Haodong Ji Eco-environment and Resource Efficiency Research Laboratory School of Environment and EnergyPeking University Shenzhen Graduate SchoolShenzhen 518055China Beijing Key Laboratory of Functional Materials for Building Structure and Environment Remediation School of Environment and Energy EngineeringBeijing University of Civil Engineering and ArchitectureBeijing 100044Chin

Herein,we constructed defective UiO-66 with rich Zr vacancy structure model,in which the defective structure was verified by various ***,the Pb adsorption experiments affirmed that defective UiO-66 could display better adsorption and selective adsorption ability than that of perfect *** results of partial density of states(PDOS)and Mulliken charge population indicated that the blue shift of O 2p and Zr 4d orbit induced the electron rearrangement of atoms closed to the bonding sites,while the positive charge number of Zr atoms decreased than *** with the expansion of pore size,Pb atom was more inclined to transfer and bond with unsaturated coordination *** significantly,quantitative structure-activity relationships(QSARs)demonstrated that selective capture of Pb instead of Zn,Cu,Cd and Hg displayed by defective UiO-66 was determined jointly by bond strength,adsorption energy and electron *** work provided some theoretical direction for the purpose of the fabrication of adsorbent and the investigation of mechanism.

关键词： Selective adsorption Heavy metal Density functional theory UiO-66 Zr vacancies

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Enhanced red luminescence of Ca_(3)Si_(2−x)M_(x)O_(7):Eu^(3+)(M=Al,P)phosphors via partial substitution of Si^(4+) for applications in white light-emitting diodes

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Rare Metals 2024年第2期43卷 736-748页

作者： yu-Hao Ma Xi gao Wen-Tao Zhang Zhen-Rui Yang Zhou Zhao chen Qu College of Materials and Chemistry and Chemical Engineering Chengdu University of TechnologyChengdu610059China State Key Laboratory of Geohazard Prevention and Geoenvironment Protection Chengdu University of TechnologyChengdu610059China International Advanced Energy Science Research and Education Center Graduate School of Energy ScienceKyoto UniversityYoshida-HonmachiKyoto606-8501Japan

A red-emitting phosphor Ca_(2.91)Si_(2)O_(7):0.09Eu^(3+) with partial Al^(3+)/P^(5+) substitution on Si^(4+) was synthesized via a simple solid-state method,and the effects of the introduction of the M^(3+/5+)(M=Al,P)ions on the crystal structure and photoluminescence performance of Ca_(2.91)Si_(2−x)M_(x)O_(7):0.09Eu^(3+) phosphors were *** X-ray diffraction(XRD),energy-dispersive X-ray spectroscopy(EDS),and X-ray photoelectron spectroscopy(XPS)results revealed that the structure of Ca_(3)Si_(2)O_(7) remained the same after the introduction of Al^(3+) and P^(5+) *** characteristic emission of Eu^(3+)-doped Ca_(3)Si_(2−x)M_(x)O_(7) phosphors exhibited two main peaks at 617 nm(red)and 593 nm(orange)under excitation at 394 nm,which originated from the^(5)D_(0)→^(7)F_(2)and^(5)D_(0)→^(7)F_(1) electron transitions of Eu^(3+) *** the partial substitution of Al^(3+) and P^(5+),the red emission intensities of the Ca_(2.91)Si_(2)O_(7):0.09Eu^(3+) phosphors were significantly enhanced by 1.88-and 1.42-fold,respectively,which is attributed to the crystal-field effect around Eu^(3+).Meanwhile,the luminescence intensities of the Ca_(2.91)Si_(1.96)Al_(0.04)O_(7):0.09Eu^(3+) and Ca_(2.91)Si_(1.94)P_(0.06)O_(7):0.09Eu^(3+) phosphors at 210℃ were 79.36%and 77.53%of those at 30°C,respectively,indicating their excellent thermal ***,the as-prepared Ca_(2.91)Si_(1.96)Al_(0.04)O_(7):0.09Eu^(3+)and Ca_(2.91)Si_(1.94)P_(0.06)O_(7):0.09Eu^(3+) red-emitting phosphors were combined with a near-ultraviolet chip of 395 nm to fabricate red-light-emitting diode(LED)and white(w)-LED devices with excellent chromaticity *** summary,Al^(3+)/P^(5+)-substituted Ca_(2.91)Si_(2)O_(7):0.09Eu^(3+) can serve as red-emitting phosphors for applications in w-LEDs.

关键词： Ca_(3)Si_(2)O_(7) Red-emitting phosphor Structure substitution Luminescence enhancement Crystal-field effect White light-emitting diode

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