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Axial coordinated iron-nitrogen-carbon as efficient electrocatalysts for hydrogen evolution and oxygen redox reactions

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Chinese Chemical Letters 2025年第1期36卷 637-642页

作者： Yanan Zhou Li Sheng Lanlan Chen Wenhua Zhang Jinlong Yang School of Material Science and Chemical Engineering Institute of Mass SpectrometryNingbo UniversityNingbo 315211China Department of Chemical Physics University of Science and Technology of ChinaHefei 230026China Department of Material Science and Engineering University of Science and Technology of ChinaHefei 230026China Hefei National Laboratory for Physical Sciences at the Microscale CAS Key Laboratory of Materials for Energy Conversion and Synergetic Innovation Centre of Quantum Information and Quantum PhysicsUniversity of Science and Technology of ChinaHefei 230026China

Designing highly active electrocatalysts for the hydrogen evolution reaction(HER)and oxygen evolution and reduction reactions(OER and ORR)is pivotal to renewable energy ***,based on density functional theory(DFT)calculations,we systematically investigate the catalytic activity of iron-nitrogen-carbon based covalent organic frameworks(COF)monolayers with axially coordinated ligands(denotes as Fe N_(4)-X@COF,X refers to axial ligand,X=-SCN,-I,-H,-SH,-NO_(2),-Br,-ClO,-Cl,-HCO_(3),-NO,-ClO_(2),-OH,-CN and-F).The calculated results demonstrate that all the catalysts possess good thermodynamic and electrochemical *** different ligands axially ligated to the Fe active center could induce changes in the charge of the Fe center,which further regulates the interaction strength between intermediates and catalysts that governs the catalytic ***,FeN_(4)-SH@COF and Fe N_(4)-OH@COF are efficient bifunctional catalysts for HER and OER,FeN_(4)-OH@COF and FeN_(4)-I@COF are promising bifunctional catalysts for OER and *** findings not only reveal promising bifunctional HER/OER and OER/ORR catalysts but also provide theoretical guidance for designing optimum ironnitrogen-carbon based catalysts.

关键词： Axial coordinated ligands DFT calculation Hydrogen evolution reaction Oxygen evolution reaction Oxygen reduction reaction

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Ultrafast high-temperature sintering of high-entropy oxides with refined microstructure and superior lithium-ion storage performance

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Journal of Advanced Ceramics 2023年第10期12卷 1857-1871页

作者： Yuhang Bai Jinrui Li Hai Lu Jia Liu Cuiying Ma Bin Wang Xing Zhao Jun Deng School of Material Science and Engineering Xi’an University of Science and TechnologyXi’an 710054China Department of Mechanical Engineering City University of Hong KongHong Kong 999077China School of Safety Science and Engineering Xi’an University of Science and TechnologyXi’an 710054China

High-entropy oxides(HEOs)have received significant attention because of their tunable mechanical properties and wide range of functional ***,the conventional method used for sintering HEOs requires prolonged processing time,which results in excessive grain growth,thereby compromising their ***,an ultrafast high-temperature sintering(UHS)strategy was adopted,and rock-salt composite(Mg_(0.2)Co_(0.2)Ni_(0.2)Cu_(0.2)Zn_(0.2))O was selected as model *** parameters were tuned to illustrate the influence of applied current and soaking time on the densification process and resulting grain ***,the electrochemical performance of UHS-synthesized microparticles as anode materials in lithium-ion batteries was *** results show that the ultrafast heating rate results in fine grains with a diameter of~6–8μm and density of 95%,which are much smaller and similar to those obtained using the conventional sintering method(25μm and 96%).Moreover,the high surface area and reactivity of the microparticles,as well as their sluggish diffusion effect and structural stability,contribute to outstanding performance with high capacity(336 mA·h/g at 1 A/g)and ultralong cyclability(1000 cycles).This novel technique offers valuable insights into the densification process of HEOs and other materials and can thus broaden their application range.

关键词： ultrafast high-temperature sintering(UHS) high-entropy oxide(HEO) microstructure Li-ion battery anode materials

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Investigation of oxidative potential of fresh and O_(3)-aging PM_(2.5)from various emission sources across urban and rural regions

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Journal of Environmental sciences 2025年第5期151卷 608-615页

作者： Shuaishuai Ma Dongsheng Cheng Yingying Tang Younuo Fan Qiong Li Chengxiang He Zhiqing Zhao Tianyou Xu College of Chemical and Material Engineering Quzhou UniversityQuzhou 324000China Shanghai Key Laboratory of Atmospheric Particle Pollution and Prevention Department of Environmental Science&EngineeringFudan UniversityShanghai 200433China

Inhalation of atmospheric PM_(2.5)can induce the generation of excessive reactive oxygen species(ROS)in human alveoli,triggering local and systemic inflammation,which can directly or indirectly result in respiratory and cardiovascular *** this study,we assessed the oxidative potential(OP)of fresh and O_(3)-aged PM_(2.5)particles from various urban and rural emission sources using the dithiothreitol(DTT)*** results revealed variations in the OP of fresh PM_(2.5)among different emission sources,with biomass burning sources exhibiting the highest OP,followed by industrial areas,vehicular emissions,cooking emissions,and suburban areas,***-soluble organics and transition metals might potentially exert significant influence on particle OP.O_(3)aging notably decreased the OP of PM_(2.5)particles,possibly due to the oxidation of highly DTT-active components into low redox-active small ***,the evolution of OP in different PM_(2.5)components,including methanol-soluble and insoluble fractions,exhibited distinct responses to O_(3)aging for source-oriented PM_(2.5).Additionally,differences in chemical composition between fresh and aged PM_(2.5)were further elucidated through measurements of component-dependent hygroscopic behaviors and phase *** study systematically delineates variances in the toxic potential of fresh and O_(3)-aged PM_(2.5)from various anthropogenic *** findings highlight the intrinsic compositional dependence of particle OP and provide essential insights for assessing the health effects of source-oriented PM_(2.5),as well as for formulating human health protection policies.

关键词： Atmospheric PM_(2.5) Oxidative potential Emission sources DTT assay O_(3)aging

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Characterization of Shale Mechanical Properties via Nanoindentation Scratch Test

Characterization of Shale Mechanical Properties via Nanoinde...

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Geotechnical Frontiers 2025: Soil Characterization and Improvement

作者： Rahmani, Fereshteh Espinoza, Wilson F. Material Science Engineering and Commercialization Program Texas State Univ. San MarcosTX United States Material Science Engineering and Commercialization Program Dept. of Engineering Technology Texas State Univ. San MarcosTX United States

ISBN: (数字)9780784486016

Shale, a complex sedimentary rock, exhibits heterogeneous mechanical behavior influenced by its mineral composition and microstructure. Nanoindentation scratch tests offer a promising method to probe the local mechanical properties and understand shale’s response to applied stress at the nanoscale. In this study, shale samples were prepared and subjected to nanoindentation scratch tests, with a systematic approach adopted to analyze critical load, scratch depth, and coefficient of friction (COF) in both parallel and perpendicular orientations to their bedding planes. The results highlight the impact of shale’s anisotropic nature on its mechanical properties. The parallel direction showed 50.18% and 13.37% greater critical loads than the perpendicular direction under scratching forces of 150 and 300 µN. Similarly, a scratch depth analysis reveals a 60.90% reduction of scratch penetration in the parallel direction, attributed to cohesive forces and grain alignment. The coefficient of friction, which fluctuates with lateral displacement, reflects the heterogeneity of shale’s mineral composition and the varying interaction between the indenter and different shale minerals. The obtained average adhesion work in the parallel orientation showed 34.95% more surface energy compared to the perpendicular orientation in the tested shales. These findings demonstrate that microstructural features directly influence fracture propagation and mechanical behavior. The insights gained from this study can be utilized to optimize hydraulic fracturing and drilling operations, and to ensure improved resource extraction efficiency and structural stability. This research evaluates factors that affect the nanostructure and the mechanical properties of shale obtained through indentation techniques. © ASCE.

关键词： Nanoindentation

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Precise Fabrication of Tetrametallic Metal-Organic Frameworks and Multivariate Hybrids for Enhanced Photothermal Tandem Catalysis

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Chemical Research in Chinese Universities 2024年第6期40卷 1141-1150页

作者： FAN Yiwen WANG Yang WANG Huijuan CHEN Yuzhen LI Zhibo Department of Chemistry College of Chemistry and Chemical EngineeringQingdao University of Science and TechnologyQingdao 266071P.R.China Experimental Center of Engineering and Material Science University of Science and Technology of ChinaHefei 230026P.R.China

Multiple metal sites doped in metal-organic frameworks (MOFs) are essential for their promising application in cascade ***,precision synthesis of tetrametallic MOFs with total coordination and regular shapes is challenging due to the different coordination abilities of four metal ***,a series of tetrametallic MOFs (t-MOFs) with four regular morphologies is successfully constructed by regulating the metal ratio,amount of morphologic modulating reagent or growth *** t-MOFs can be flexibly oxidized to afford porous metal oxides (MxCo_(3)O_(4),M=CuZnNi) under air or reduced to carbon-encapsulated CuCoNi under H_(2)/Ar for different reactions to maximize the value-in-use of *** particular,the t-MOF@MxCo_(3)O_(4) obtained upon the surface oxidation of t-MOF well integrates the Lewis-base sites from MOF core with photothermal oxidation activity from MxCo_(3)O_(4) *** hybrid effectively catalyzes the cascade reaction of styrene oxidation coupling Knoevenagel condensation under visible ***,the by-product,benzaldehyde,is successfully converted to easily separated benzylidene malononitrile to finally obtain pure styrene epoxide (SO).In MxCo_(3)O_(4),Ni species afford good photothermal effect,Cu and Co species provide catalytic activity,and Zn species increase SO *** host-object coordination and the synergy among objects may greatly boost more complex reactions in the future.

关键词： Metal-organic framework Multimetallic site Photothermal catalysis Cascade reaction Host-object coordination

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Neutrosophic Non-Newtonian and Geometric Measures: A Consistent Analytical Framework

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Neutrosophic Sets and Systems 2025年 80卷 350-376页

作者： Darweesh, Amer Al-Khaled, Kamel Shakhatreh, Mohammed Ajeel, Mahmood Shareef Hasan, Nermin Abo Department of Mathematics and Stat. Jordan University of Science and Technology Irbid22110 Jordan Department of Material Engineering College of Engineering Shatrah University Thi-Qar64001 Iraq

The neutrosophic measure is a generalization of the classical measure in situations when the space contains some indeterminacy. In this paper, we introduce the concept of the Neutrosophic Geometric Measure, we also provide some results, and examples related to the Neutrosophic Geometric Measure. A classical measure of the object’s determinate component, a classical measure of its indeterminate part, and a further classical measure of the object’s opposite determinate part are the three classical measures that make up the neutrosophic measure. To define the Neutrosophic Geometric Measure, we introduce a new measure on R+ and call it the geometric Lebesgue measure. The geometric Lebesgue measure is defined, and some of its properties are examined and detailed. Moreover, we establish a relation between the Lebesgue measure and geometric Lebesgue measure to see if the properties of Lebesgue measure are still true in this new measure. Other basic topics discussed in this paper are geometric measurable function and the geometric simple approximation Theorem. © 2025, University of New Mexico. All rights reserved.

关键词： Geometry

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Metallized polymer current collector as“stress acceptor”for stable micron-sized silicon anodes

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Journal of Energy Chemistry 2025年第2期101卷 786-794,I0017页

作者： Ziyi Cao Haoteng Sun Yi Zhang Lixia Yuan Yaqi Liao Haijin Ji Shuaipeng Hao Zhen Li Long Qie Yunhui Huang State Key Laboratory of Material Processing and Die&Mold Technology School of Materials Science and EngineeringHuazhong University of Science and TechnologyWuhan 430074HubeiChina Department of Chemistry Brown UniversityProvidence RI 02912United States

Micron-sized silicon(μSi)is a promising anode material for next-generation lithium-ion batteries due to its high specific capacity,low cost,and abundant ***,the volume expansion that occurs during cycling leads to the accumulation of undesirable stresses,resulting in pulverization of silicon microparticles and shortened lifespan of the ***,a composite film of Cu-PET-Cu is proposed as the current collector(CC)forμSi anodes to replace the conventional Cu ***-PET-Cu CC is prepared by depositing Cu on both sides of a polyethylene terephthalate(PET)*** PET layer promises good ductility of the film,permitting the Cu-PET-Cu CC to accommodate the volumetric changes of silicon microparticles and facilitates the stress release through ductile *** a result,theμSi electrode with Cu-PET-Cu CC retains a high specific capacity of 2181 mA h g^(-1),whereas theμSi electrode with Cu CC(μSi/Cu)exhibits a specific capacity of 1285 mA h g^(-1)after 80 *** stress relieving effect of CuPET-Cu was demonstrated by in-situ fiber optic stress monitoring and multi-physics *** work proposes an effective stress relief strategy at the electrode level for the practical implementation ofμSi anodes.

关键词： Micron-sized Si anodes Metallized polymer current collector Stress relieving Electrode design

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Simultaneous improving luminescence intensity and stability of CsPbBr_(3):SCN−@Eu/Zr-Uio-66-NH_(2) with tunable emissions from blue to green and applications in indoor photovoltaics

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Nano Research 2024年第8期17卷 6879-6887页

作者： Minze Li Yao Sun Honglai Lu Peifen Zhu Ruihong Wang Guofeng Wang Key Laboratory of Functional Inorganic Material Chemistry Ministry of EducationSchool of Chemistry and Materials ScienceHeilongjiang UniversityHarbin 150080China Department of Electrical Engineering and Computer Science University of MissouriColumbiaMO 65211USA

The construction of stable and efficient materials that emit blue and green light remains a *** the blue light materials reported,metal-organic framework(MOF)materials are rarely reported as blue phosphors due to their weak luminescence *** on the construction of CsPbBr_(3)@MOF(CPB@MOF),an innovative idea was proposed to simultaneously enhance the green luminescence of CPB and the blue luminescence of MOF through the interaction between CPB and MOF for the first *** expected,the blue luminescence from CPB:7%SCN−@0.5%MOF:Eu as well as the green luminescence from 5%CPB:7%SCN−@MOF:Eu was sufficient to construct high-performance light-emitting diode(LED)devices and further excite solar cells to generate stable photoelectric *** white LED(WLED)device with excellent color quality(color rendering index(CRI)=96.2)and correlated color temperature(CCT=9688 K)can be constructed by using the obtained blue-emitting CPB:7%SCN-@0.5%MOF:Eu,green-emitting 5%CPB:7%SCN−@MOF:Eu,and red-emitting PPB:30%Mn^(2+).The density functional theory(DFT)theoretical calculation results indicate that the p orbital of Pb plays the major role in the conduction band,and the p orbital of Br plays the major role in the valance band of CPB and CPB:SCN−.While the p orbital of O plays the major role in both the conduction band and valance band of *** heat capacity of CPB and CPB:SCN−separately reaches the Dulong–Petit limit at 200 and 400 K,indicating that the thermal stability of CsPbBr_(3)increases after SCN−doping.

关键词： CsPbBr_(3):SCN−@Uio-66-NH_(2) composites luminescence stability white light-emitting diodes(WLEDs) indoor photovoltaics density functional theory(DFT)calculation

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Removing Bridge Coatings Using Lasers and Electric Fields

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materials Performance 2024年第2期63卷 42-45页

作者： Moffat, W. Fitz-Gerald, J. Agnew, S. Sharp, S. Provines, J. Department of Material Science and Engineering The University of Virginia CharlottesvilleVA United States Virginia Department of Transportation CharlottesvilleVA United States

Bridge coatings, which are routinely applied to large infrastructure, must protect the underlying structural steel from moisture and aggressive ions to ensure long-term corrosion protection, as well as to lower the costs associated with bridge coating repair and maintenance work. However, despite the many advances in bridge coating performance, coatings still have limited effective lifetimes and must be removed, and the steel underneath carefully prepared for the new coating application. The most common, industry standard method of coating removal and surface preparation is abrasive blasting, which is known to effectively clean and profile steel surfaces for coating adhesion. © 2024 NACE International. All rights reserved.

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Small but mighty:Empowering sodium/potassium-ion battery performance with S-doped SnO_(2) quantum dots embedded in N,S codoped carbon fiber network

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Carbon Energy 2024年第5期6卷 186-200页

作者： Shengnan He Hui Wu Shuang Li Ke Liu Yaxiong Yang Hongge Pan Xuebin Yu Institute of Science and Technology for New Energy Xi'an Technological UniversityXi'anChina Department of Materials Science Fudan UniversityShanghaiChina Wanxiang A123 Systems Corporation HangzhouChina School of Material Science and Engineering Shanghai UniversityShanghaiChina

SnO_(2) has been extensively investigated as an anode material for sodium-ion batteries(SIBs)and potassium-ion batteries(PIBs)due to its high Na/K storage capacity,high abundance,and low ***,the sluggish reaction kinetics,low electronic conductivity,and large volume changes during charge and discharge hinder the practical applications of SnO_(2)-based electrodes for SIBs and *** rational structures with fast charge/ion transfer and robust stability is important to overcoming these ***,S-doped SnO_(2)(S-SnO_(2))quantum dots(QDs)(≈3 nm)encapsulated in an N,S codoped carbon fiber networks(S-SnO_(2)-CFN)are rationally fabricated using a sequential freeze-drying,calcination,and S-doping *** analysis and density functional theory calculations reveal that the integration of S-SnO_(2) QDs with N,S codoped carbon fiber network remarkably decreases the adsorption energies of Na/K atoms in the interlayer of SnO_(2)-CFN,and the S doping can increase the conductivity of SnO_(2),thereby enhancing the ion transfer *** synergistic interaction between S-SnO_(2) QDs and N,S codoped carbon fiber network results in a composite with fast Na+/K+storage and extraordinary long-term ***,the S-SnO_(2)-CFN delivers high rate capacities of 141.0 mAh g^(−1) at 20 A g^(−1) in SIBs and 102.8 mAh g^(−1) at 10 A g^(−1) in ***,it delivers ultra-stable sodium storage up to 10,000 cycles at 5 A g^(−1) and potassium storage up to 5000 cycles at 2 A g^(−1).This study provides insights into constructing metal oxide-based carbon fiber network structures for high-performance electrochemical energy storage and conversion devices.

关键词： carbon fiber network heteroatom doping potassium-ion battery sodium-ion battery S-SnO_(2)quantum dot

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