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Synthesis of Cu-Doped Layered Transition Metal Oxide Cathode Materials Directly from Metal-Organic Frameworks for Sodium-Ion Batteries

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Chinese Journal of Chemistry 2023年第20期41卷 2597-2603页

作者： Xiaoniu Hou Changfeng Li Mengjie Li Yuansheng Liu Wei Zhu Zhenfei Li Yunhua Xu School of Materials Science and Engineering Key Laboratory of Advanced Ceramics and Machining Technology(Ministry of Education)and Tianjin Key Laboratory of Composite and Functional MaterialsTianjin UniversityTianjin300072 China

Mn-based layered transition metal oxides are promising cathode materials for sodium-ion batteries(SIBs)because of their high theoretical capacities,abundant raw materials,and environment-friendly ***,they often show insufficient performance due to intrinsic issues including poor structural stability and dissolution of Mn^(3+).Atomic doping is an effective way to address these structural degradation ***,we reported a new synthesis strategy of a Cu-doped layered cathode by directly calcinating a pure metal-organic *** from the unique structure of MOF with atomic-level Cu doping,a homogeneous Cu-doped layered compound P2-Na_(0.674)Cu_(0.01)Mn_(0.99)O_(2) was *** Cu substitution promotes the crystal structural stability and suppresses the dissolution of Mn,thus preventing the structure degradation of the layered cathode materials.A remarkably enhanced cyclability is realized for the Cu-doped cathode compared with that without Cu doping,with 83.8%capacity retention after 300 cycles at 100 mA·g^(-1).Our findings provide new insights into the design of atomic-level doping layered cathode materials constructed by MOFs for high-performance SIBs.

关键词： Metal-organic frameworks Synthesis design/Sodium-ion batteries Layered cathode materials Atomic doping

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Ballistic response mechanism and resistance-driven evaluation method of UHMWPE composite

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Defence technology(防务技术) 2025年第2期44卷 1-16页

作者： Yemao He Johnny Qing Zhou Yanan Jiao Hongshuai Lei Zeang Zhao Daining Fang Beijing Key Laboratory of Lightweight Multi-functional Composite Materials and Structures Beijing Institute of TechnologyBeijing 100081China Beijing Protech New Material Science Co. Ltd.Beijing 102200China School of Textile Science and Engineering Tiangong UniversityTianjin 300387China Key Laboratory of Advanced Textile Composite Materials Ministry of EducationInstitute of Textile Composite MaterialsTiangong UniversityTianjin 300387China

The use of ultra-high molecular weight polyethylene(UHMWPE)composite in the design of lightweight protective equipment,has gained a lot of ***,there is an urgent need to understand the ballistic response mechanism and theoretical prediction model of *** paper explores the ballistic response mechanism of UHMWPE composite through experimental and simulation ***,a resistance-driven modeling method was proposed to establish a theoretical model for predicting the bulletproof *** ballistic response mechanism of UHMWPE composite encompassed three fundamental modes:local response,structural response,and coupled *** occurrence ratio of these fundamental response modes during impact was dependent on the projectile velocity and laminate *** bulletproof performance of laminate under different response modes was assessed based on the penetration depth of the projectile,the bulging height on the rear face of the laminate,the thickness of remaining sub-laminate,and residual velocity of the *** absolute deviations of bulletproof performance indicator between theoretical value and experimental value were well within 11.13%,demonstrating that the established evaluation model possessed high degree of prediction accuracy.

关键词： UHMWPE composite Ballistic response mechanism Theoretical model Performance evaluation

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Electrochemically triggered decoupled transport behaviors in intercalated graphite:From energy storage to enhanced electromagnetic applications

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International Journal of Minerals,Metallurgy and Materials 2023年第1期30卷 33-43页

作者： Ya Chen Kailun Zhang Na Li Wei Guan Zhiyuan Li Haosen Chen Shuqiang Jiao Weili Song Institute of Advanced Structure Technology Beijing Institute of TechnologyBeijing 100081China Beijing Key Laboratory of Lightweight Multi-Functional Composite Materials and Structures Beijing Institute of TechnologyBeijing 100081China State Key Laboratory of Advanced Metallurgy University of Science and Technology BeijingBeijing 100083China

Pyrolytic graphite (PG) with highly aligned graphene layers,present anisotropic electrical and thermal transport behavior,which is attractive in electronic,electrocatalyst and energy *** pristine PG could meeting the limit of electrical conductivity (~2.5×10^(4) S·cm^(−1)),although efforts have been made for achieving high-purity sp^(2) hybridized *** manipulating the electrical conductivity of PG,a facile and efficient electrochemical strategy is demonstrated to enhance electrical transport ability via reversible intercalation/de-intercalation of AlCl_(4)^(-)into the graphitic *** the stage evolution at different voltages,variable electrical and thermal transport behaviors could be achieved via controlling AlCl_(4)^(-)concentrations in the PG because of substantial variation in the electronic density of *** evolution leads to decoupled electrical and thermal transport (opposite variation trend) in the in-plane and out-of-plane directions,and the in-plane electrical conductivity of the pristine PG (1.25×10^(4) S·cm^(−1)) could be massively promoted to 4.09×10^(4) S·cm(AlCl_(4)^(-)intercalated PG),much better than the pristine bulk graphitic papers used for the electrical transport and electromagnetic *** fundamental mechanism of decoupled transport feature and electrochemical strategy here could be extended into other anisotropic conductive bulks for achieving unusual behaviors.

关键词： electrochemically manipulatable aluminum battery graphite intercalation compounds transport behavior electromagnetic interference shielding

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Ultrafast nanomanufacturing via high-temperature shock of La_(0.6)Sr_(0.4)CoO_(3)catalysts for overall water splitting

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Journal of Materials science & technology 2024年第24期191卷 1-7页

作者： Xiaoya Cui Wenyu Li Yanchang Liu Yumei Zhu Yanan Chen Cairong Gong Gang Xue School of Materials Science and Engineering Key Laboratory of Advanced Ceramics and Machining Technology of Ministry of EducationTianjin Key Laboratory of Composite and Functional MaterialsTianjin UniversityTianjin 300072China School of Materials Science and Engineering Institute of New EnergyTianjin UniversityTianjin 300072China Key Laboratory of Special Functional Materials for Ecological Environment and Information Ministry of EducationHebei University of TechnologyTianjin 300132China

Electrochemical water splitting,as an effective sustainable and eco-friendly energy conversion strategy,can produce high-purity hydrogen(H_(2))and oxygen(O_(2))via hydrogen evolution reaction(HER)and oxygen evolution reaction(OER),respectively,altering the nonrenewable fossil ***,La_(0.6)Sr_(0.4)CoO_(3)perovskite oxide nanoparticles with an orthorhombic phase were synthesized within 2 min in a one-step reaction,using a rapid and efficient high-temperature shock(HTS)***,the as-prepared La_(0.6)Sr_(0.4)CoO_(3)with orthorhombic phase(HTS-2)exhibited better OER and HER performance than the hexagonal phase counterpart prepared using the traditional muffle furnace calcination *** electrocatalytic performance enhancement of orthorhombic La_(0.6)Sr_(0.4)CoO_(3)can be attributed to the novel orthorhombic structure,such as confined strontium segregation,a higher percentage of highly oxidative oxygen species,and more active sites on the *** facile and rapid synthesis technique shows great potential for the rational design and crystal phase engineering of nanocatalysts.

关键词： Perovskite oxides High-temperature shock Water splitting High Gibbs free energy Phase engineering

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Multifunctional Nacre‑Like Nanocomposite Papers for Electromagnetic Interference Shielding via Heterocyclic Aramid/MXene Template‑Assisted In‑Situ Polypyrrole Assembly

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Nano-Micro Letters 2025年第3期17卷 37-54页

作者： Jinhua Xiong Xu Zhao Zonglin Liu He Chen Qian Yan Huanxin Lian Yunxiang Chen Qingyu Peng Xiaodong He National Key Laboratory of Science and Technology On Advanced Composites in Special Environments Center for Composite Materials and StructuresHarbin Institute of TechnologyHarbin 150080People’s Republic of China

Robust, ultra-flexible, and multifunctional MXene-basedelectromagnetic interference (EMI) shielding nanocomposite filmsexhibit enormous potential for applications in artificial intelligence,wireless telecommunication, and portable/wearable electronic *** this work, a nacre-inspired multifunctional heterocyclic aramid(HA)/MXene@polypyrrole (PPy) (HMP) nanocomposite paper withlarge-scale, high strength, super toughness, and excellent tolerance tocomplex conditions is fabricated through the strategy of HA/MXenehydrogel template-assisted in-situ assembly of PPy. Benefiting from the"brick-and-mortar" layered structure and the strong hydrogen-bondinginteractions among MXene, HA, and PPy, the paper exhibits remarkable mechanical performances, including high tensile strength (309.7 MPa),outstanding toughness (57.6 MJ m−3), exceptional foldability, and structural stability against ultrasonication. By using the template effect ofHA/MXene to guide the assembly of conductive polymers, the synthesized paper obtains excellent electronic conductivity. More importantly,the highly continuous conductive path enables the nanocomposite paper to achieve a splendid EMI shielding effectiveness (EMI SE) of 54.1 dBat an ultra-thin thickness (25.4 μm) and a high specific EMI SE of 17,204.7 dB cm2g−1. In addition, the papers also have excellent applicationsin electromagnetic protection, electro-/photothermal de-icing, thermal therapy, and fire safety. These findings broaden the ideas for developinghigh-performance and multifunctional MXene-based films with enormous application potential in EMI shielding and thermal management.

关键词： MXene Remarkable mechanical properties Heterocyclic aramid Electromagnetic interference shielding Polypyrrole Multifunctionality

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New strategy for efficient manufacturing of bulk anisotropic nanocrystalline Nd-Fe-B permanent magnets

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Journal of Materials science & technology 2024年第34期201卷 119-129页

作者： Qian Li Lingqi Liu Yuqing Li Ming Yue Yuan Teng Weiqiang Liu Dongtao Zhang School of Materials Science and Engineering Key Laboratory of Advanced Functional MaterialsMinistry of Education of ChinaBeijing University of TechnologyBeijing 100124China

The application of bulk nanocrystalline Nd-Fe-B permanent magnets manufactured by hot deformation methods was severely limited by production ***,this work proposed an efficient prepa-ration method combining hot rolling and *** the melt-spun Nd-Fe-B magnetic powders as original materials,dense,large-sized,and well-uniform precursors for deformation can be obtained through cold pressing and hot *** large-sized hot-rolled magnet can be cut into small pieces and subjected to hot *** deformed magnet exhibits obvious crystallographic anisotropy,and the optimal maximum energy product can reach 35.7 ***,the mechanism of defor-mation and texture formation has been systematically studied,according to the microstructure and tex-ture characterization of different height reduction *** results indicated that there was a typical heterogeneous structure in the hot-rolled and hot-deformed Nd-Fe-B *** precipitation,grain growth,and regular grain arrangement were the main reasons for deformation and texture forma-tion during the deformation *** strategy of replacing traditional hot-pressing with large-sized hot-rolling can produce massively deformed precursors at once,greatly improving production efficiency,which is crucial for promoting the application of bulk nanocrystalline anisotropic Nd-Fe-B permanent magnets.

关键词： Anisotropic Nd-Fe-B magnet Hot rolling Hot deformation Deformation behavior Magnetic properties

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Sp/sp^(2)carbon ratio-driven high-throughput screening of electrocatalytic nitrogen reduction performance on transition metal single-atom catalysts

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Rare Metals 2024年第11期43卷 5781-5791页

作者： Ze-Xiang Yin Yu-Dan Li Yu-Huan Ye Yuan Liu Mian-Feng Li Zi-Jun Yang Xue-Rong Zheng Hao-Zhi Wang Yang Wang Yi-Da Deng State Key Laboratory of Marine Resource Utilization in South China Sea School of Materials Science and EngineeringHainan UniversityHaikou 570100China School of Materials Science and Engineering Tianjin Key Laboratory of Composite and Functional MaterialsKey Laboratory of Advanced Ceramics and Machining Technology(Ministry of Education)Tianjin UniversityTianjin 300072China

Single-atom catalysts(SACs)have been widely utilized in electrochemical nitrogen reduction reactions(NRR)due to their high atomic utilization and *** to the unique sp/sp^(2)co-hybridization,graphyne materials can offer stable adsorption sites for single metal *** investigate the influence of the sp/sp^(2)hybrid carbon ratio on the electrocatalytic NRR performance of graphyne,a high-throughput screening of 81 catalysts,with27 transition metals loaded on graphyne(GY1),graphdiyne(GY2),and graphtriyne(GY3),was conducted using firstprinciples *** results of the screening revealed that Ti@GY3 exhibits the lowest energy barrier for the rate-determining step(0.32 eV)in ***,to explore the impact of different sp/sp^(2)-hybridized carbon ratios on the catalytic activity of SACs,the mechanism of nitrogen(N_(2))adsorption,activation,and the comprehensive pathway of NRR on Ti@GY1,Ti@GY2,and Ti@GY3 was systematically *** was found that the ratio of sp/sp^(2)-hybridized carbon can significantly modulate the d-band center of the metal,thus affecting the energy barrier of the rate-determining step in NRR,decreasing from Ti@GY1(0.59 eV)to Ti@GY2(0.49 eV);and further to Ti@GY3(0.32 eV).Additionally,the Hall conductance was found to increase with the bias voltage in the range of 0.4-1 V,as calculated by Nanodcal software,demonstrating an improvement in the conductivity of the *** summary,this work provides theoretical guidance for modulating the electrocatalytic nitrogen reduction activity of SACs by varying the ratio of sp/sp^(2)hybrid carbon,with Ti@GY3 showing potential as an excellent NRR catalyst.

关键词： Nitrogen reduction reactions Single-atom catalysts Graphyne Ratio of sp/sp^(2)hybrid carbon High-throughput screening

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Grain boundary segregation induced strong UHTCs at elevated temperatures:A universal mechanism from conventional UHTCs to high entropy UHTCs

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Journal of Materials science & technology 2022年第28期123卷 26-33页

作者： Fu-Zhi Dai Bo Wen Yinjie Sun Yixiao Ren Huimin Xiang Yanchun Zhou Science and Technology on Advanced Functional Composite Laboratory Aerospace Research Institute of Materials&Processing TechnologyBeijing 100076China DP Technology Beijing 100044China

Ultra-high temperature ceramics(UHTCs)exhibit a unique combination of excellent properties,including ultra-high melting point,excellent chemical stability,and good oxidation resistance,which make them promising candidates for aerospace and nuclear ***,the degradation of hightemperature strength is one of the main limitations for their ultra-high temperature ***,searching for mechanisms that can help to develop high-performance UHTCs with good high-temperature mechanical properties is urgently *** achieve this goal,grain boundary segregation of a series of carbides,including conventional,medium entropy,and high entropy transition metal carbides,i.e.,Zr_(0.95)W_(0.05)C,TiZrHfC_(3),ZrHfNbTaC_(4),TiZrHfNbTaC_(5),were studied by atomistic simulations with a fitted Deep Potential(DP),and the effects of segregation on grain boundary strength were *** all the studied carbides,grain boundary segregations are realized,which are dominated by the atomic size *** addition,tensile simulations indicate that grain boundaries(GBs)will usually be strengthened due to *** simulation results reveal that grain boundary segregation may be a universal mechanism in enhancing the high-temperature strength of both conventional UHTCs and medium/high entropy UHTCs,since GBs play a key role in controlling the fracture of UHTCs at elevated temperatures.

关键词： UHTCs High entropy ceramics Grain boundary segregation High-temperature strength Machine learning potential

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The highest melting point material:Searched by Bayesian global optimization with deep potential molecular dynamics

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Journal of advanced Ceramics 2023年第4期12卷 803-814页

作者： Yinan Wang Bo Wen Xingjian Jiao Ya Li Lei Chen Yujin Wang Fu-Zhi Dai Artificial Intelligence for Science Institute Beijing 100084China Science and Technology on Advanced Functional Composite Laboratory Aerospace Research Institute of Materials&Processing TechnologyBeijing 100076China College of Computer Science and Technology Heilongjiang Institute of TechnologyHarbin 150001China Institute for Advanced Ceramics School of Materials Science and EngineeringHarbin Institute of TechnologyHarbin 150001China Key Laboratory of Advanced Structural-Functional Integration Materials&Green Manufacturing Technology Harbin Institute of TechnologyHarbin 150001China DP Technology Bejing 100080China

The interest in refractory materials is increasing rapidly in recent decades due to the development of hypersonic ***,the substance that has the highest melting point(Tm)keeps a secret,since precise measurements in extreme conditions are overwhelmingly *** the present work,an accurate deep potential(DP)model of a Hf-Ta-C-N system was first trained,and then applied to search for the highest melting point material by molecular dynamics(MD)simulation and Bayesian global optimization(BGO).The predicted melting points agree well with the experiments and confirm that carbon site vacancies can enhance the melting point of rock-saltstructure *** solid solution with N is verified as another new and more effective melting point enhancing approach for HfC,while a conventional routing of the solid solution with Ta(e.g.,HfTa_(4)C_(5))is not suggested to result in a maximum melting *** highest melting point(~4236 K)is achieved with the composition of HfCo.638No.271,which is~80 K higher than the highest value in a Hf-C binary *** mechanism of the N addition is believed to be unstable C-N and N-N bonds in liquid phase,which reduces liquid phase entropy and renders the liquid phase less *** improved melting point and less gas generation during oxidation by the addition of N provide a new routing to modify thermal protection materials for the hypersonic vehicles.

关键词： melting point(T_(m)) carbides carbonitrides deep potential(DP) Bayesiannglobal optimization(BGO)

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High-performance Flow Chemistry Platform for Scalable Continuous Synthesis of Branched Block Copolymers with Precise Chain Structures

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Chinese Journal of Polymer science 2025年第3期43卷 457-467页

作者： Bang-Bang Wang Zhuang Zhang Jing-Tao Wang Li Pan Yue-Sheng Li Dong-Po Song Tianjin Key Laboratory of Composite and Functional Materials School of Materials Science and EngineeringTianjin UniversityTianjin 300350China School of Chemical Engineering and Technology Tianjin UniversityTianjin 300072China

Cutting-edge research has primarily focused on flow synthesis of linear block copolymers,lacking the ability for manipulating chain architectures for more extensive ***,we develop a flow chemistry platform for the continuous microflow synthesis of bottlebrush block copolymers(BBCPs)using a grafting-through *** involves performing ring-opening metathesis polymerization(ROMP)of two different macromonomers within two microfluidic reactors connected in *** microflow environment allows for complete monomer conversion within a few tens of seconds,benefiting from the superior mixing efficiency achieved in Z-shaped channels as indicated by both theoretical simulations and experimental ***,a library of well-defined BBCPs of up to 528 distinct samples can be produced within one day through automation of the continuous procedure,while keeping precise control on degree of polymerization(DP<4)and polydispersity indices(PDI<1.2).The synthetic method is generally applicable to different macromonomers with different compositions and contour lengths,yielding libraries of branched block copolymers with great diversity in physiochemical properties and chain *** work presents a powerful platform for high-throughput production of branched copolymers,significantly lowering the costs of the materials for real applications.

关键词： Continuous flow synthesis Ring opening metathesis polymerization Branched copolymer

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