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Nano Research 2024年第3期17卷 2070-2078页

作者： Wenhao liang Juntao Wu Shan Zhang Pei-Yan Zhao Yi Cong Yongqiang Guo Guang-sheng Wang Key Laboratory of Bioinspired Smart Interfacial Science and Technology of Ministry of Education School of ChemistryBeihang UniversityBeijing 100191China

With the rapid development of wireless communication technology and electronic devices,the issue of electromagnetic interference(EMI)is becoming increasingly *** a new and flexible electromagnetic interference shielding material has become a challenging ***,a sandwich-structured EMI shielding composite film was prepared using electrospinning and vacuum filtration *** this process,a porous MXene was synthesized through a reaction with cobalt acetate and served as the intermediate layer in the composite film to shield electromagnetic *** electrospun polyimide(PI)fibers were used as the top and bottom layers of the composite film,which can protect the porous MXene from *** lightweight and flexible composite film integrates electromagnetic interference shielding and thermal insulation capabilities,showing excellent comprehensive *** composite film achieves an EMI shielding effectiveness of 48.8 dB in X-band(8.2–12.4 GHz),and absolute shielding effectiveness of the composite film reached a satisfying 4142.43(dB·cm^(2))/*** to the design of a multi-layer porous structure,the density of the composite film is 0.65 g/***,the thermal conductivity of the film is 0.042 W/(m·K)due to the clamping of electrospun PI fibers,showing excellent thermal insulation ***,the composite film exhibits excellent high and low-temperature *** summary,this work provides a feasible strategy for preparing a lightweight polymer-based EMI shielding film.

关键词： porous MXene polyimide electromagnetic interference shielding thermal insulation

Constant charge method or constant potential method:Which is better for molecular modeling of electrical double layers?

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Journal of Energy Chemistry 2024年第7期94卷 54-60页

作者： liang Zeng Xi Tan Xiangyu Ji Shiqi Li Jinkai Zhang Jiaxing Peng sheng Bi Guang Feng State Key Laboratory of Coal Combustion Schoolof Energy and PowerEngineeringHuazhong Universityof Science and Technology(HUST)Wuhan 430074HubeiChina Sorbonne Universite CNRSPhysico-chimie des Electrolytes et Nanosystemes InterfaciauxPHENIXF-75005 ParisFrance

In molecular modeling of electrical double layers(EDLs),the constant charge method(CCM)is prized for its computational efficiency but cannot maintain electrode equipotentiality like the more resourceintensive constant potential method(CPM),potentially leading to *** certain scenarios,CCM can yield results identical to ***,there are no clear guidelines to determine when CCM is sufficient and when CPM is ***,we conduct a series of molecular simulations across various electrodes and electrolytes to present a comprehensive comparison between CCM and CPM under different charging *** reveal that CCM approximates CPM effectively in capturing equilibrium EDL and current-driven dynamics in open electrode systems featuring ionic liquids or regular concentration aqueous electrolytes,while CPM is indispensable in scenarios involving organic and highly concentrated aqueous electrolytes,nanoconfinement effects,and voltage-driven *** work helps to select appropriate methods for modeling EDL systems,prioritizing accuracy while considering computationalefficiency.

关键词： Electrochemical interface Molecular dynamics Electrode polarization modeling Nanoconfinement effect

Highly Transparent Fire-resistant Coatings with Intumescent Three-source Integration

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Chinese Journal of Polymer Science 2024年第7期42卷 907-915,I0005页

作者： Xiao-liang Zeng Xin-sheng Lan Yan Wang Lin Zhang De-Ming Guo Hai-Bo Zhao State Grid Sichuan Electric Power Research Institute Chengdu610041China The Collaborative Innovation Center for Eco-Friendly and Fire-Safety Polymeric Materials(Ministry of Education) National Engineering Laboratory of Eco-Friendly Polymeric Materials(Sichuan)State Key Laboratory of Polymer Materials EngineeringCollege of ChemistrySichuan UniversityChengdu610064China

Wood,a readily available and sustainable natural resource,has found widespread use in construction and ***,its inherent flammability poses a potential fire *** intumescent fire-retardant coatings effectively mitigate this risk,achieving high transparency in such coatings presents a significant *** our approach,we employed a cross-linked network of phytic acid anion and N-[3-(trimethoxysilyl)propyl]-N,N,N-trimethylammonium cation to create a transparent"three-in-one"intumescent *** collaborative P/N/Si flame-retardant effect markedly improved the intumescent char-forming capability,preventing the wood from rapid *** resulted in a substantial reduction in heat release(13.9%decrease in THR)and an increased limiting oxygen index(LOI)value of 35.5%.Crucially,the high transparency of the coating ensured minimal impact on the wood's appearance,allowing the natural wood grains to remain clearly *** innovative approach provides a straightforward method for developing transparent intumescent flame-retardant coatings suitable for wooden *** potential applications extend to preserving ancient buildings and heritage conservation efforts.

关键词： Fire-resistant coating Flame retardancy Wood Transparency

Enhanced thermoelectric performance enabled by compositing ZrO_(2)in n-type SiGe alloy with low thermal conductivity

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Rare Metals 2024年第3期43卷 1167-1176页

作者： Meng-Fei Wang Hua-Jun Lai Ji-sheng liang Jun-liang Chen Wang-Yang Ding Qi Zhou Ying Peng Cheng-Yan Liu Lei Miao Guangxi Key Laboratory for Relativity Astrophysics State Key Laboratory of Featured Metal Materials and Life-Cycle Safety for Composite StructuresSchool of Physical Science and TechnologyGuangxi UniversityNanning530004China Guangxi Academy of Sciences Nanning530007China Key Laboratory of Information Material Engineering Research Center of Electronic Information Materials and DevicesGuilin University of Electronic TechnologyMinistry of EducationGuilin541004China Guangxi Key Laboratory of Precision Navigation Technology and Application School of Information and CommunicationGuilin University of Electronic TechnologyGuilin541004China

SiGe-based thermoelectric(TE)materials have gained increasing interests due to their low maintenance costs,environmental friendliness and long ***,the intrinsically high thermal conductivity of Si-based materials also results in poor TE *** this investigation,a zirconia(ZrO_(2))composite strategy was applied to an n-type SiGe alloy,tremendously elevating its TE *** mechanical alloying and spark plasma sintering(SPS)processes,the ZrO_(2)induced the formation of nanopores in the SiGe matrix via phosphorus ***,such increase in porosity enhanced the phonon scattering and dramatically suppressed lattice thermal conductivity,from 2.83 to 1.59 W·m^(-1)·K^(-1)at 873 ***,reduced phosphorus doping led to an increase in Seebeck coefficients and a relatively minor decrease in electrical conductivity,The power factor didn't deteriorate significantly,either,as its maximum of~3.43 mW·m^(-1-)K^(-2)was achieved at 873 K with(Si_(0.8)Ge_(0.2))_(0.097)P_(0.03)(ZrO_(2))_(0.003).In short,a peak figure of merit(ZT)of~1.27 at 873 K and an average ZT~0.7 from 323 to 873 K were *** study demonstrates that the electrical and thermal transportation of SiGe material can be synergistically tuned by compositing ZrO_(2),illustrating a novel strategy to optimize the TE properties of bulk materials.

关键词： Thermoelectric SiGe alloy ZrO2 composting P element adsorption nanopores

Improving mathematical model of burden distribution and correcting chute angle to cope with fluctuation of stock line

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Journal of Iron and Steel Research International 2024年第2期31卷 342-356页

作者： Jian-sheng Chen Wen-guo Liu Hao Guo Wang Ding qing-guo Xue Jing-song Wang Hai-bin Zuo State Key Laboratory of Advanced Metallurgy University of Science and Technology BeijingBeijing100083China MCC Capital Engineering&Research Incorporation Limited Beijing100176China Hunan Valin Xiangtan Iron and Steel Co. Ltd.Xiangtan411101HunanChina

Accurate evaluations of the burden distribution are of critical importance to stabilize the operation of blast *** mathematical model and discrete element method(DEM)are two attractive methods for predicting burden *** on DEM,the initial velocities of the pellet,sinter,and coke were calculated,and the velocity attenuations of the above three particles between the burden and the chute were *** initial velocity and velocity attenuation were applied to a mathematical model for improving the ***,based on the improved model,a scheme for rectifying the chute angles was proposed to address the fluctuation of the stock line and maintain a stable burden *** validity of the scheme was confirmed via a stable burden distribution under different stock *** mathematical model has been successfully applied to evaluate the online burden distribution and cope with the fluctuation of the stock line.

关键词： Burden distribution Mathematical model Discrete element method Velocity attenuation Stock line fluctuation

Radiation construction and excellent performances of Ag NPs/TiO_(2)/PEG/PVP multifunctional aerogel:Adsorption-photocatalytic degradation,photosensitive antibacterial and cytotoxicity

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Journal of Materiomics 2024年第3期10卷 585-593页

作者： Jin-Yu Yang Dong-liang Liu Yue-sheng Li Xiao-Jie Yang Yi Liu School of Nuclear Technology and Chemistry&Biology/Hubei Key Laboratory of Radiation Chemistry and Functional Materials Hubei University of Science and TechnologyXianning437100HubeiChina Key Laboratory of Coal Conversion and New Carbon Materials of Hubei Province School of Chemistry and Chemical EngineeringWuhan University of Science and TechnologyWuhan437100HubeiChina College of Chemistry and Chemical Engineering Tiangong UniversityTianjin300387China

A cutting-edge method known as photocatalytic antibacterial technology can effectively eliminate drug-resistant bacterial strains and boast a wide-ranging antimicrobial *** the study,a novel Ag NPs/TiO_(2)/PEG/PVP(ATPP)aerogel photocatalyst was synthesized by an electron beam in-situ radiation method using polyethylene glycol(PEG),polyvinylpyrrolidone(PVP),AgNO_(3),and TiO_(2)as raw *** was characterized by X-ray diffraction spectroscopy(XRD),X-ray photoelectron spectroscopy(XPS)and solid ultraviolet diffuse reflectance spectroscopy(UV-Vis DRS).The results demonstrated that silver ions were reduced to silver nanoparticles by electron beam radiation *** the same time,the doping of silver nanoparticles(Ag NPs)enhanced visible-light *** degradation rate of methylene blue(MB)on 5%(in mass)ATPP could reach 81%under visible light for 180 *** coli(***)and Staphylococcus aureus(***)were used as model bacteria to explore the antimi-crobial properties of ATPP by zone of the inhibition method,plate counting method and live/dead bacterial *** antibacterial experiments showed that the antibacterial effect of ATPP was ***,MTT assay and Hoechst33342/PI double staining were used to prove that the composite had good *** aerogel photocatalytic material has the potential to decrease microbial presence in both medical and environmental settings,making it a valuable tool for such applications.

关键词： Ag NPs/TiO_(2)/PEG/PVP aerogel Electron beam radiation Adsorption-photocatalytic Photosensitive antibacterial Cytotoxicity

High Speed Sintering:Assessing the Influence of Energy Input on Microstructure and Mechanical Properties of Polyether Block Amide(PEBA)Parts

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Chinese Journal of Polymer Science 2024年第5期42卷 675-682,I0004,I0010页

作者： Jiang-Tao Sun Zhi-Yong Fan Yi-Wei Mao Wei Li Wei Zhu Dao-sheng Cai qing-Song Wei State Key Laboratory of Materials Processing and Die&Mould Technology Huazhong University of Science and TechnologyWuhan430074China State Key Laboratory of Refractories and Metallurgy Wuhan University of Science and TechnologyWuhan430074China National Engineering Research Centre for High Efficiency Grinding Hunan UniversityChangsha410082China Wuhan EasyMFG Technology CO. LTDWuhan430074China

High speed sintering,a new powder-bed fusion additive manufacturing technology,utilizes infrared lights(IR)to intensely heat and melt polymer *** presence of defects such as porosity,which is associated with particle coalescence,is highly dependdent on the level of energy *** study investigate the influcence of energy input on porosity and its subsequent effects on the mechanical properties and microstructures of PEBA *** parts were manufactured with a variety of lamp powers,resulting in a range of energy input levels spanning from low to ***,they underwent testing using Archimedes’method,followed by tensile *** porosity,mechanical characteristics,and energy input exhibit a strong correlation;inadequate energy input was the primary cause of pore *** the reduced IR light power resulted in the following outcomes:porosity,ultimate tensile strength,and elongation of 1.37%,7.6 MPa,and 194.2%,*** the energy input was further increased,the porosity was reduced to as low as 0.05%and the ultimate tensile strength and elongation were increased to their peak values of 233.8%and 9.1 MPa,respectively.

关键词： High speed sintering Additive manufacturing Energy input Powder bed fusion PEBA

Single thiolate replacement of metal nanoclusters

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Science China Chemistry 2024年第2期67卷 523-528页

作者： Ambreen Ambreen Yue Zhou Wanmiao Gu qing You liang Fang Guoqing Bian Nan Yan Nan Xia Zhikun Wu Key Laboratory of Materials Physics Anhui Key Laboratory of Nanomaterials and NanotechnologyInstitute of Solid State PhysicsHefei Institutes of Physical Science(HFIPS)Chinese Academy of SciencesHefei230031China University of Science and Technology of China Hefei230601China Institute of Physical Science and Information Technology Anhui UniversityHefei230601China

Surface thiolates play important roles in evincing the structures and properties of thiolated metal nanoclusters—one type of recently emerging inorganic-organic hybrids,and thus the thiolate substitution,especially single thiolate substitution,is highly desirable for subtly tailoring the structures and properties of metal ***,such a single-thiolate substituting is challenging,and its influence on the metal-metal and metal-sulfur bonds remains mysterious due to the absence of the singlethiolate-substituted ***,we developed a combined method,concurrently synthesized the single-thiolate-substituted nanocluster and its parent nanocluster,and successfully resolved their structures by single crystal X-ray crystallography,which reveals that the single thiolate substitute has an obvious influence on the metal-metal and metal-sulfur bond lengths although it has no effect on the absorption ***,the metal-metal and metal-sulfur bonds show various thermal extensibility and even the negative thermal expansion phenomena of the Au–S bond were observed in the single-thiolate-substituted *** bond length-related stability was also ***,this study highlights a novel synthesis method and offers novel structural insights and an in-depth structure-property correlation of thiolated metal nanoclusters.

关键词： metal nanoclusters single thiolate replacement thermal expansion stability intercluster interaction

Recent progresses in the development of tubular segmented-in-series solid oxide fuel cells:Experimental and numerical study

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International Journal of Minerals,Metallurgy and Materials 2024年第3期31卷 427-442页

作者： Shuo Han Tao Wei Sijia Wang Yanlong Zhu Xingtong Guo liang He Xiongzhuang Li qing Huang Daifen Chen School of Energy and Power Jiangsu University of Science and TechnologyZhenjiang 212003China College of Materials Science and Engineering Nanjing Forestry UniversityNanjing 210037China

Solid oxide fuel cells(SOFCs)have attracted a great deal of interest because they have the highest efficiency without using any noble metal as catalysts among all the fuel cell ***,traditional SOFCs suffer from having a higher volume,current leakage,complex connections,and difficulty in gas *** solve these problems,Rolls-Royce has fabricated a simple design by stacking cells in series on an insulating porous support,resulting in the tubular segmented-in-series solid oxide fuel cells(SIS-SOFCs),which achieved higher output *** work systematically reviews recent advances in the structures,preparation methods,perform-ances,and stability of tubular SIS-SOFCs in experimental and numerical ***,the challenges and future development of tubular SIS-SOFCs are also *** findings of this work can help guide the direction and inspire innovation of future development in this field.

关键词： solid oxide fuel cell segmented-in-series tubular experimental study numerical study

Prediction of impurity spectrum function by deep learning algorithm

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Chinese Physics B 2024年第5期33卷 52-63页

作者：刘婷韩榕生陈亮 School of Mathematics and Physics North China Electric Power UniversityBeijing 102206China Institute of Condensed Matter Physics North China Electric Power UniversityBeijing 102206China Hebei Key Laboratory of Physics and Energy Technology North China Electric Power UniversityBaoding 071003China

By using the numerical renormalization group(NRG)method,we construct a large dataset with about one million spectral functions of the Anderson quantum impurity *** dataset contains the density of states(DOS)of the host material,the strength of Coulomb interaction between on-site electrons(U),and the hybridization between the host material and the impurity site(Γ).The continued DOS and spectral functions are stored with Chebyshev coefficients and wavelet functions,*** this dataset,we build seven different machine learning networks to predict the spectral function from the input data,DOS,U,andΓ.Three different evaluation indexes,mean absolute error(MAE),relative error(RE)and root mean square error(RMSE),are used to analyze the prediction abilities of different network *** analysis shows that,for the two kinds of widely used recurrent neural networks(RNNs),gate recurrent unit(GRU)has better performance than the long short term memory(LSTM)network.A combination of bidirectional GRU(BiGRU)and GRU has the best performance among GRU,BiGRU,LSTM,and *** MAE peak of BiGRU+GRU reaches *** have also tested a one-dimensional convolutional neural network(1DCNN)with 20 hidden layers and a residual neural network(ResNet),we find that the 1DCNN has almost the same performance of the BiGRU+GRU network for the original dataset,while the robustness testing seems to be a little weak than BiGRU+GRU when we test all these models on two other independent *** ResNet has the worst performance among all the seven network *** datasets presented in this paper,including the large data set of the spectral function of Anderson quantum impurity model,are openly available at https://***/10.57760/sciencedb.j00113.00192.

关键词： machine learning Anderson impurity model spectral function