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Improved oxygen electrocatalysis at Fe N4 and Co N4 sites via construction of axial coordination

Chinese Chemical Letters 2025年第2期36卷 482-487页

作者： Ze Zhang Lei Yang Jin-Ru Liu Hao Hu Jian-Li Mi Chao Su Bei-Bei Xiao Zhi-Min Ao school of Energy and Power engineering Jiangsu University of Science and Technology institute for Computation in Molecular and materials science School of Chemistry and Chemical Engineering Nanjing University of Science and Technology institute for advanced materials School of Materials Science and Engineering Jiangsu University advanced Interdisciplinary institute of Environment and Ecology Beijing Normal University

The quest for efficient and durable catalysts using abundant resources has garnered significant interest in the field of bifunctional oxygen *** this contribution,we have designed a FeN4or CoN4embedded graphene-based bilayer as active layer and TMC3or TMN3doped graphene as supporting layer,named as FeN4/TMC3or FeN4/TMN3and CoN4/TMC3or CoN4/TMN3,wherein TM strands for transition *** on density functional theory calculations,our results demonstrate that the interaction formed between dual metal atoms in the bilayer interspace leads to the coordination environment altered from flat four-coordination to spatial five-coordination,further stabilizing the bilayer structure and impairing its affinity toward the O-containing *** to thermodynamic analysis,the bilayers of CoN4/CoN3,FeN4/FeC3,FeN4/CoC3,FeN4/NiC3,FeN4/ZnC3,FeN4/FeN3,FeN4/CrN3and FeN4/ZnN3are attractively promising for bifunctional oxygen electrocatalysis due to the small overpotential differenceΔη between oxygen reduction and oxygen evolution that are less than 1 *** functional theory calculations combined with machine learning analysis directly identify the key role played by the interbinding formed between bilayers,that boosts catalytic activity,which establishes a predictable framework for a fast screen for graphene-based bilayer vertical *** work opens up a new path for designing the efficient electrocatalysts via modification of coordination environment.

关键词： Density functional theory Machine learning Oxygen electrocatalysis Thermodynamic analysis

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Post-tunable salt gel electrolytes toward flexible supercapacitor switches

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Journal of Energy Chemistry 2025年第1期100卷 114-124页

作者： Hui Wang Shuang Chen Xuming Liu Qin Zhang Xin Liu Polymeric and Soft materials Laboratory School of Chemistry and Life Science and Advanced Institute of Materials ScienceChangchun University of TechnologyChangchun 130012JilinChina Polymeric and Soft materials Laboratory School of Chemical Engineering and Advanced Institute of Materials ScienceChangchun University of TechnologyChangchun 130012JilinChina

Convertible hydrogel supercapacitors have emerged as promising energy storage devices in switches,diodes,and ***,inherent weaknesses in ionic conductivity,mechanical properties,and water retention of hydrogel electrolytes seriously hinder their *** by the hardness conversion of sea cucumber skin,a conductivity and mechanics dual-tunable salt gel electrolyte is successfully *** salt gel presents a reversible switching of conductors-insulators and a mechanical regulation between softness and hardness via the dissolution-crystallization transition of sodium acetate trihydrate(SAT).Meanwhile,the salt gels spontaneously grow a layer of“armor”through saturated phase-change salt crystals effectively reducing water evaporation of hydrogel ***,this phase-change soft-rigid conversion strategy will expand the capabilities of gel-based flexible supercapacitors(area capacitance:258.6 mF cm^(-2)),and the capacitance retention rate could still reach 86.9%after 3000 cycles at high ***,the salt gel supercapacitor is potentially used in over-heat alarm *** is anticipated that the strategy of conductivity and mechanics of dual-tunable salt gel would provide a new perspective on the development of energy storage devices,wearable electronics,and flexible robots.

关键词： Supercapacitors Salt gels Reversible phase transition Post-tuning Conductivity switching

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Emerging natural clay-based materials for stable and dendrite-free lithium metal anodes: A review

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Chinese Chemical Letters 2025年第2期36卷 161-172页

作者： Haobo Wang Fei Wang Yong Liu Zhongxiu Liu Yingjie Miao Wanhong Zhang Guangxin Wang Jiangtao Ji Qiaobao Zhang school of materials science and engineering Provincial and Ministerial Co-construction of Collaborative Innovation Center for Non-ferrous Metal new Materials and Advanced Processing Technology Henan University of Science and Technology Faculty of engineering Huanghe Science and Technology University henan Key Laboratory of Non-Ferrous materials science & Processing technology Henan University of Science and Technology College of Agricultural Equipment engineering Henan University of Science and Technology State Key Laboratory of Physical Chemistry of Solid Surfaces College of Materials Xiamen University

Lithium metal is one of the most promising anodes for lithium batteries because of their high theoretical specific capacity and the low electrochemical potential. However, the commercialization of lithium metal anodes(LMAs) is facing significant obstacles, such as uncontrolled lithium dendrite growth and unstable solid electrolyte interface, leading to inferior Coulombic efficiency, unsatisfactory cycling stability and even serious safety issues. Introducing low-cost natural clay-based materials(NCBMs) in LMAs is deemed as one of the most effective methods to solve aforementioned issues. These NCBMs have received considerable attention for stabilizing LMAs due to their unique structure, large specific surface areas, abundant surface groups, high mechanical strength, excellent thermal stability, and environmental friendliness. Considering the rapidly growing research enthusiasm for this topic in the last several years, here, we review the recent progress on the application of NCBMs in stable and dendrite-free *** different structures and modification methods of natural clays are first summarized. In addition, the relationship between their modification methods and nano/microstructures, as well as their impact on the electrochemical properties of LMAs are systematically discussed. Finally, the current challenges and opportunities for application of NCBMs in stable LMAs are also proposed to facilitate their further development.

关键词： Aolid-state electrolyte Li metal anodes Natural clay-based materials Rechargeable batteries Surface modification

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Preparation of silver nanoparticles through the reduction of straw-extracted lignin and its antibacterial hydrogel

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International Journal of Minerals,Metallurgy and materials 2025年第2期32卷 504-514页

作者： Lou Zhang Shuo Li Fu Tang Jingkai Zhang Yuetong Kang Hean Zhang Lidong Li State Key Laboratory for advanced Metals and materials School of Materials Science and EngineeringUniversity of Science and Technology BeijingBeijing 100083China

Silver nanoparticles(Ag NPs)have attracted attention in the field of biomaterials due to their excellent antibacterial ***,the reducing and stabilizing agents used for the chemical reduction of Ag NPs are usually toxic and may cause water *** this work,Ag NPs(31.2 nm in diameter)were prepared using the extract of straw,an agricultural waste,as the reducing and stabilizing *** analysis revealed that the straw extract contained lignin,the structure of which possesses phenolic hydroxyl and methoxy groups that facilitate the reduction of silver salts into Ag *** surfaces of Ag NPs were negatively charged due to the encapsulation of a thin layer of lignin molecules that prevented their *** the prepared Ag NPs were added to the precursor solution of acrylamide,free radical polymerization was triggered without the need for extra heating or light irradiation,resulting in the rapid formation of an Ag NP-polyacrylamide composite *** inhibition zone test proved that the composite hydrogel possessed excellent antibacterial ability due to the presence of Ag *** prepared hydrogel may have potential applications in the fabrication of biomedical materials,such as antibacterial dressings.

关键词： silver nanoparticles hydrogel straw extraction antibacterial

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Taming of trinitromethyl-oxadiazole to access high density and high oxygen balance via a dual modulation strategy

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Defence technology(防务技术) 2025年第1期43卷 142-149页

作者： Jinya Zhang Teng Fei Jingwei Meng Jinxiong Cai Lei Zhang Siping Pang Chunlin He school of materials science&engineering Beijing Institute of TechnologyBeijing 100081China Experimental Center of advanced materials School of Materials Science&EngineeringBeijing Institute of TechnologyBeijing 100081China hongqing Innovation Center Beijing Institute of TechnologyChongqing 401120China

Energetic compounds bearing the trinitromethyl group are garnering broad attraction as potential candidates for a new generation of high energy dense *** this work,an effective dual modulation strategy involving both molecular isomerization and crystal morphology control was employed to design and optimize trinitromethyl-oxadiazole with improved comprehensive *** this dual strategy,3,5-bis(trinitromethyl)-1,2,4-oxadiazole(3)was synthesized,resulting in the formation of two distinct crystal morphologies(needle and sheet)corresponding to two crystal forms(3-a and3-b).Encouragingly,while maintaining ultra-high oxygen balance(21.73%),3 achieves impressive densities(1.97-1.98 g/cm^(3)).To our knowledge,the density of 1.98 g/cm^(3)for 3-a sets a new record among that of nitrogen-rich monocyclic ***,practical crystal morphology prediction was creatively introduced to guide the experimental crystallization conditions of 3,increasing the impact sensitivity and friction sensitivity from 1 J to 80 N(3-a)to 10 J and 240 N(3-b),***,the crystal structural analyses and theoretical calculations were conducted to elucidate the reasons of differences between 3-a and 3-b in density and *** work provides an efficient strategy to enhance performance of trinitromethyl derivatives,broadening the path and expanding the toolbox for energetic materials.

关键词： Energetic materials High oxygen balance High density Dual modulation Trinitromethyl group

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Comprehensive review of advances in machine-learning-driven optimization and characterization of perovskite materials for photovoltaic devices

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Journal of Energy Chemistry 2025年第2期101卷 298-323页

作者： Bonghyun Jo Wenning Chen Hyun Suk Jung school of advanced materials science and engineering Sungkyunkwan University SKKU institute of Energy science and technology (SIEST) Sungkyunkwan University Department of Future Energy engineering Sungkyunkwan University

Perovskite solar cells(PSCs) have developed rapidly,positioning them as potential candidates for nextgeneration renewable energy ***,conventional trial-and-error approaches and the vast compositional parameter space continue to pose challenges in the pursuit of exceptional performance and high stability of perovskite-based *** increasing demand for novel materials in optoelectronic devices and establishment of substantial databases has enabled data-driven machinelearning(ML) approaches to swiftly advance in the materials *** review succinctly outlines the fundamental ML procedures,techniques,and recent breakthroughs,particularly in predicting the physical characteristics of perovskite ***,it highlights research endeavors aimed at optimizing and screening materials to enhance the efficiency and stability of ***,this review highlights recent efforts in using characterization data for ML,exploring their correlations with material properties and device performance,which are actively being researched,but they have yet to receive significant ***,we provide future perspectives,such as leveraging Large Language Models(LLMs) and text-mining,to expedite the discovery of novel perovskite materials and expand their utilization across various optoelectronic fields.

关键词： Characterization Data-driven machine learning Perovskite materials Perovskite solar cell

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Dynamic modeling of a three-dimensional braided composite thin plate considering braiding directions

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Applied Mathematics and Mechanics(English Edition) 2025年第1期46卷 123-138页

作者： Chentong GAO Huiyu SUN Jianping GU W.M.HUANG College of Aerospace engineering Nanjing University of Aeronautics and Astronautics school of Mechanical and Aerospace engineering Nanyang Technological University Jiangsu Key Laboratory of advanced Structural materials and Application technology School of Materials Science and EngineeringNanjing Institute of Technology

Currently, there are a limited number of dynamic models available for braided composite plates with large overall motions, despite the incorporation of three-dimensional(3D) braided composites into rotating blade components. In this paper, a dynamic model of 3D 4-directional braided composite thin plates considering braiding directions is established. Based on Kirchhoff's plate assumptions, the displacement variables of the plate are expressed. By incorporating the braiding directions into the constitutive equation of the braided composites, the dynamic model of the plate considering braiding directions is obtained. The effects of the speeds, braiding directions, and braided angles on the responses of the plate with fixed-axis rotation and translational motion, respectively, are investigated. This paper presents a dynamic theory for calculating the deformation of 3D braided composite structures undergoing both translational and rotational motions. It also provides a simulation method for investigating the dynamic behavior of non-isotropic material plates in various applications.

关键词： braiding direction composite thin plate dynamic model large overall motion O313.7 three-dimensional (3D) braided composite

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Toward long-life Zn anode using highly polar electrolyte additives

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Journal of Energy Chemistry 2025年第2期101卷 651-660页

作者： Nengbin Cai Hongming Chen Busheng Zhang Zijing Liu Xinbo He Dan Zhou Beijing advanced Innovation Center for materials Genome engineering University of Science and Technology Beijing Shunde Innovation school University of Science and Technology Beijing school of Textile science and engineering Wuyi University

Unstable Zn interface caused by rampant dendrite growth and parasitic side reactions always hinders the practical application of aqueous zinc metal batteries（AZMBs）,Herein,tyrosine（Tyr） with high molecular polarity was introduced into aqueous electrolyte to modulate the interfacial electrochemistry of Zn *** AZMBs,the positively charged side of Tyr can be well adsorbed on the surface of Zn anode to form a water-poor layer,and the exposed carboxylate side can be easily coordinated with Zn2+,favoring inducing uniform plating of Zn2+and inhibiting the occurrence of water-induced side *** in turn enable the achievement of highly stable Zn ***,the Zn anodes achieve outstanding cyclic stability(3000 h at 2 mA cm-2,2 mA h cm-2and 1300 h at 5 mA cm-2,5 mA h cm-2),high average Coulombic efficiency（99.4% over 3200 cycles）,and high depth of discharge（80% for 500 h）.Besides,the assembled Zn‖NaV3O8·1.5H2O full cells deliver remarkable capacity retention and ultra-long lifetime(61.8% over 6650 cycles at 5 A g-1) and enhanced rate capability(169 mA h g-1at 5 A g-1).The work may promote the design and deep understanding of electrolyte additives with high molecular polarity for high-performance AZMBs.

关键词： AZMBs Electrolyte additives Highly stable Zn anode Interfacial electrochemistry Tyr

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Sulfur doping and oxygen vacancy in In2O3 nanotube co-regulate intermediates of CO2 electroreduction for efficient HCOOH production and rechargeable Zn-CO2 battery

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Journal of Energy Chemistry 2025年第2期101卷 474-484页

作者： Yu Li Zhengrong Xu Quanxin Guo Qin Li Rui Liu Key Laboratory of advanced Civil engineering materials of Ministry of Education School of Materials Science and Engineering Tongji University

By manipulating the distribution of surface electrons,defect engineering enables effective control over the adsorption energy between adsorbates and active sites in the CO2reduction reaction（CO2RR）.Herein,we report a hollow indium oxide nanotube containing both oxygen vacancy and sulfur doping（V_o-Sx-In2O3） for improved CO2-to-HCOOH electroreduction and *** componential synergy significantly reduces the*OCHO formation barrier to expedite protonation process and creates a favorable electronic micro-environment for*HCOOH *** a result,the CO2RR performance of Vo-Sx-In2O3outperforms Pure-In2O3and V_o-In2O3,where V_o-S53-In2O3exhibits a maximal HCOOH Faradaic efficiency of 92.4% at-1,2 V *** hydrogen electrode（RHE） in H-cell and above 92%over a wide window potential with high current density(119.1 mA cm-2at-1.1 V ***) in flow ***,the rechargeable Zn-CO2battery utilizing V_o-S53-In2O3as cathode shows a high power density of 2.29 mW cm-2and a long-term stability during charge-discharge *** work provides a valuable perspective to elucidate co-defective catalysts in regulating the intermediates for efficient CO2RR.

关键词： CO2 electroreduction In2O3 Intermediate Oxygen vacancy Sulfur doping Zn-CO2 battery

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Magnetically-responsive phase change thermal storage materials:Mechanisms,advances,and beyond

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Journal of Energy Chemistry 2025年第2期101卷 485-510页

作者： Yan Gao Yang Li Jinjie Lin Panpan Liu Xiao Chen Ge Wang Beijing advanced Innovation Center for materials Genome engineering Beijing Key Laboratory of Function Materials for Molecule & Structure Construction School of Materials Science and Engineering University of Science and Technology Beijing school of Physics and Astronomy Beijing Normal University Shunde Graduate school University of Science and Technology Beijing

Rapid advances in thermal management technology and the increasing need for multi-energy conversion have placed stringent energy efficiency requirements on next-generation shape-stable composite phase change materials(PCMs).Magnetically-responsive phase change thermal storage materials are considered an emerging concept for energy storage systems,enabling PCMs to perform unprecedented functions(such as green energy utilization,magnetic thermotherapy,drug release,etc.).The combination of multifunctional magnetic nanomaterials and PCMs is a milestone in the creation of advanced multifunctional composite ***,a timely and comprehensive review of composite PCMs based on magnetic nanoparticle modification is still ***,we furnish an exhaustive exposition elucidating the cutting-edge advancements in magnetically responsive composite *** delve deeply into the multifarious roles assumed by distinct nanoparticles within composite PCMs of varying dimensions,meticulously scrutinizing the intricate interplay between their architectures and thermophysical ***,we prognosticate future research trajectories,delineate alternative stratagems,and illuminate prospective *** review is intended to stimulate broader academic interest in interdisciplinary fields and provide valuable insights into the development of next-generation magnetically-responsive composite PCMs.

关键词： Magnetic nanoparticles Magnetic-thermal conversion Phase change materials Response mechanism Thermal energy storage

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