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3d Necklace-Like Carbon Nanofiber Framework Implanted with Sn-Cao-Casno3 composite Invigorated Highly Efficient Polysulfide and Lithium Regulation

SSRN

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SSRN 2025年

作者： Liu, Zhitong Tian, Yuan Wang, Cheng Institute for New Energy Materials and Low-Carbon Technologies Tianjin Key Laboratory of Advanced Functional Porous Materials School of Materials Science and Engineering Tianjin University of Technology Tianjin300384 China

Lithium-sulfur (Li-S) batteries have attracted considerable attention in the next-generation energy storage system due to their higher theoretical energy density than traditional rechargeable batteries. Nevertheless, the short life and safety hazards that arise from its severe shuttling effect towards lithium polysulfides and Li dendrite growth limit practical applications of Li-S batteries. Here, we prepared a 3D free-standing bifunctional host consisting of necklace-like nitrogen-doped carbon nanofiber framework modified with Sn-CaO-CaSnO3 composites (Sn-CaO-CaSnO3@NC) through the electrospinning method. Combining electrochemical and computational analysis, the sophisticated host renders fast Li-ion transport, strong chemisorption, superior electrocatalytic activity and uniform lithium deposition. Benefiting from the above advantages, the assembled Li-S full batteries with Sn-CaO-CaSnO3@NC host realized a significantly optimized electrochemical performance, including a high initial capacity of 1099 mAh g-1 at 0.5 C with a low decay of 0.014% per cycle, an excellent high-rate capability up to 5 C and good cycling stability at the high sulfur loading of 8.2 mg cm-2 at 0.1 C over 100 cycles. This work provides a promising avenue for future design of high-performance bifunctional lithiophilic and sulfiphilic host. © 2025, The Authors. All rights reserved.

关键词： Lithium sulfur batteries

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A highly stable Mn-based cathode with low crystallinity Li2MnO3 and spinel functional units for lithium-ion batteries

EES Batteries

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EES Batteries 2025年第1期1卷 185-194页

作者： Shiqi Liu Yinzhong Wang Dongdong Xiao Haifeng Li Tianhao Wu Boya Wang Guangxing Hu Lingqiao Wu Yulong Wang Guoqing Wang Nian Zhang Haijun Yu Institute of Advanced Battery Materials and Devices College of Materials Science and Engineering Beijing University of Technology Beijing 100124 China Key Laboratory of Advanced Functional Materials Ministry of Education Beijing University of Technology Beijing 100124 China Institute of Matter Science Beijing University of Technology Beijing 100124 China Beijing Create Energy & Benefit Future Co. Ltd Beijing 100176 China Beijing National Laboratory for Condensed Matter Physics Institute of Physics Chinese Academy of Sciences Beijing 100190 China State Key Laboratory of Functional Materials for Informatics Shanghai Institute of Microsystem and Information Technology Chinese Academy of Sciences Shanghai 200050 People's Republic of China

Mn-based oxide cathodes have emerged as potentially feasible cathode materials for high-specific-energy Li-ion batteries due to their cost-efficiency and exceptionally high capacity via the concomitant cationic and anionic redox reactions. However, their practical implementation is still challenging since the trade-off between the electrochemical behaviours and structural stability hinders them from realizing the coinstantaneous high capacity and lifespan. Herein, a structural and crystalline design is introduced into Li_0.67Li_0.2[Mn_0.8Ni_0.2]_0.8O₂, presenting low crystallinity layered Li₂MnO₃ and pre-introduced high-voltage spinel intergrown functional units in the Mn-based composite-structure oxide cathode. This scenario shows no capacity decay within the high-voltage cycling up to 5.0 volt versus Li/Li⁺, a high energy density of 870 W h kg⁻¹, a low-strain behaviour, and high lithium mobility for high cycling rates. This study provides a solid perspective on the design of Mn-based cathode materials by incorporating distinct functional units and tailoring their configurations, which is conducive to facilitating prolonged Li intercalation chemistry.

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Coercivity enhancement mechanism of grain boundary diffused Nd-Fe-B sintered magnets by magnetic domain evolution observation

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Journal of Rare Earths 2021年第6期39卷 682-688,I0003页

作者： Weiqiang Liu Yi Li Dan Wu Ming Yue Zhanjia Wang Shanshun Zha Youhao Liu Xiaofei Yi Yihui Du Key Lab of Advanced Functional Materials Ministry of EducationCollege of Materials Science and EngineeringBeijing University of TechnologyBeijing 100124China State Key Laboratory of Rare Earth Permanent Magnetic Materials.Hefei 231500 China Earth-Panda Advanced Magnetic Materials Co. Ltd.Hefei 231500China

The grain boundary diffusion(GBD) technology was used to prepare high performance Nd-Fe-B sintered magnets by NdH3 and TbH3 nanoparticle *** factors affecting the coercivity of GBD magnets include distribution of rare earth rich grain boundary phase and substitution of the heavy rare *** order to distinguish the influence of various factors on the coercivity,the microstructure and magnetic domain evolution of the original,reference,Nd-diffused,and Tb-diffused magnets were *** core-shell structure formed by heavy rare earth substitution is the main factor of coercivity enhancement,and it can transform the magnetic domain reversal mode from easy-nucleation(EN) to difficultnucleation(DN).With increasing the diffusion depth,the shell of the core-shell structure gradually becomes thinner,DN grains gradually decrease while the EN grains gradually increase,indicating that the magnetic domain reversal mode is directly related to the core-shell structure.

关键词： Nd-Fe-B sintered magnet Heavy rare earth Coercivity Grain boundary diffusion Core-shell structure Magnetic domain reversal

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Boost oxygen reduction reaction performance by tuning the active sites in Fe-N-P-C catalysts

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Journal of Energy Chemistry 2021年第4期30卷 572-579页

作者： Yahao Li Ketao Zang Xuezhi Duan Jun Luo De Chen Department of Chemical Engineering Norwegian University of Science and TechnologyN-7491 TrondheimNorway State Key Laboratory of Silicon Materials Key Laboratory of Advanced Materials and Applications for Batteries of Zhejiang Provinceand Department of Materials Science and EngineeringZhejiang UniversityHangzhou 310027ZhejiangChina State Key Laboratory of Chemical Engineering East China University of Science and TechnologyShanghai 200237China Center for Electron Microscopy and Tianjin Key Lab of Advanced Functional Porous Materials Institute for New Energy Materials&Low-Carbon TechnologiesSchool of MaterialsTianjin University of TechnologyTianjin 300384China

Cost-effective atomically dispersed Fe-N-P-C complex catalysts are promising to catalyze the oxygen reduction reaction(ORR)and replace Pt catalysts in fuel cells and metal-air ***,it remains a challenge to increase the number of atomically dispersed active sites on these *** we report a highly efficient impregnation-pyrolysis method to prepare effective ORR electrocatalysts with large amount of atomically dispersed Fe active sites from *** types of active catalyst centers were identified,namely atomically dispersed Fe sites and Fe_(x)P *** ORR rate of the atomically dispersed Fe sites is three orders of magnitude higher than it of Fe_(x)P particles.A linear correlation between the amount of the atomically dispersed Fe and the ORR activity was obtained,revealing the major contribution of the atomically dispersed Fe to the ORR *** number of atomically dispersed Fe increases as the Fe loading increased and reaching the maximum at 1.86 wt%Fe,resulting in the maximum ORR *** Fe-N-P-C complex catalyst was used as the cathode catalyst in a homemade Zn-air battery and good performance of an energy density of 771 Wh kgZn^(-1),a power density of 92.9 m W cm^(-2) at 137 m A cm^(-2) and an excellent durability were exhibited.

关键词： Oxygen reduction reaction Fe electrocatalyst Atomically dispersed active center Activity tuning Zn-air battery

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Compressive properties and energy absorption of BCC lattice structures with bio-inspired gradient design

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Acta Mechanica Sinica 2022年第1期38卷 110-122页

作者： Fuchao Gao Qinglei Zeng Jing Wang Zengfei Liu Jun Liang Institute of Advanced Structure Technology Beijing Institute of TechnologyBeijing 100081China Bejing Key Laboratory of Lightweight Muti-fiunctional Composite Materials and Structures Beijing 100081China Aerospace Center Hospital Beijing 100049China State Key Laboratory of Explosion Science and Technology Biing Instiute of TechnologyBeijing 100081China

Inspired by the gradient structure of the nature,two gradient lattice structures,i.e.,unidirectional gradient lattice(UGL)and bidirectional gradient lattice(BGL),are proposed based on the body-centered cubic(BCC)lattice to obtain specially designed mechanical behaviors,such as load-bearing and energy absorption ***,a theoretical model is proposed to predict the initial stiffness of the gradient lattice structure under compressive loading,and validated against quasi-static compression tests and finite element models(FEMs).The deformation and failure mechanisms of the two structures are further studied based on experiments and *** UGL structure exhibits a layer-by-layer failure mode,which avoids structure-wise shear failure in uniform *** BGL structure presents a symmetry deformation pattern,and the failure initiates at the weakest ***,the energy absorption behaviors are also *** study demonstrates the potential application of gradient lattice structures in load-transfer-path modification and energy absorption by topology design.

关键词： Gradient lattice structure Quasi-static compression test Mechanical performance Finite element analysis Energy absorption

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Alkali ion-promoted palladium subnanoclusters stabilized on porous alumina nanosheets with enhanced catalytic activity for benzene oxidation

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Nano Research 2022年第7期15卷 5912-5921页

作者： Zhijun Li Minghui Di Wei Wei Leipeng Leng Zhijun Li Cheng He Qiang Tan Qian Xu J.Hugh Horton Li Li Junfa Zhu Joint International Research Laboratory of Advanced Chemical Catalytic Materials&Surface Science College of Chemistry and Chemical EngineeringNortheast Petroleum UniversityDaqing 163318China Key Laboratory of Functional Inorganic Materials Chemistry(Ministry of Education) School of Chemistry and Materials ScienceHeilongjiang UniversityHarbin 150080China State Key Laboratory for Mechanical Behavior of Materials School of Material Science and EngineeringXi’an Jiaotong UniversityXi’an 710049China National Synchrotron Radiation Laboratory University of Science and Technology of ChinaHefei 230029China Department of Chemistry Queen’s UniversityKingston K7L 3N6Canada College of Chemistry and Chemical Engineering Qiqihar UniversityQiqihar 161006China

Catalytic C−H bond activation is one of the backbones of the chemical *** metal subnanoclusters consisting of a few atoms have shown attractive properties for heterogeneous ***,the creation of such catalyst systems with high activity and excellent anti-sintering ability remains a grand ***,we report on alkali ion-promoted Pd subnanoclusters supported over defectiveγ-Al_(2)O_(3) nanosheets,which display exceptional catalytic activity for C−H bond activation in the benzene oxidation *** presence of Pd subnanoclusters is verified by aberration-corrected high-angle annular dark-field scanning transmission electron microscopy,X-ray absorption spectroscopy,and X-ray photoelectron *** catalyst shows excellent catalytic activity,with a turnover frequency of 280 h^(−1) and yield of 98%,in benzene oxidation reaction to give phenol under mild ***,the introduction of alkali ion greatly retards the diffusion and migration of metal atoms when tested under high-temperature sintering *** functional theory(DFT)calculations reveal that the addition of alkali ion to Pd nanoclusters can significantly impact the catalyst’s structure and electronic properties,and eventually promote its activity and *** work sheds light on the facile and scalable synthesis of highly active and stable catalyst systems with alkali additives for industrially important reactions.

关键词： Pd subnanoclusters γ-Al_(2)O_(3)nanosheets heterogeneous catalysis benzene oxidation catalytic activity

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Microwave heating as a universal method to transform confined molecules into armchair graphene nanoribbons

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Nano Research 2023年第7期16卷 10644-10651页

作者： Haoyuan Zhang Yingzhi Chen Kunpeng Tang Ziheng Lin Xuan Li Hongwei Zhang Yifan Zhang Chi Ho Wong Chi Wah Leung Chee Leung Mak Yuan Hu Weili Cui Kecheng Cao Lei Shi State Key Laboratory of Optoelectronic Materials and Technologies Nanotechnology Research CenterGuangdong Province Key Lab of Display Material and TechnologySchool of Materials Science and EngineeringSun Yat-sen UniversityGuangzhou 510275China Huzhou Key Laboratory of Environmental Functional Materials and Pollution Control School of EngineeringHuzhou UniversityHuzhou 313000China Department of Industrial and Systems Engineering Research Institute for Advanced ManufacturingThe Hong Kong Polytechnic UniversityHong Kong 999077China Department of Applied Physics The Hong Kong Polytechnic UniversityHong Kong 999077China Shanghai Key Laboratory of High-resolution Electron Microscopy ShanghaiTech UniversityShanghai 201210China

Armchair graphene nanoribbons(AGNRs)with sub-nanometer width are potential materials for the fabrication of novel nanodevices thanks to their moderate direct band *** are usually synthesized by polymerizing precursor molecules on substrate ***,it is time-consuming and not suitable for large-scale *** can also be grown by transforming precursor molecules inside single-walled carbon nanotubes(SWCNTs)via furnace annealing,but the obtained AGNRs are normally *** this work,microwave heating is applied for transforming precursor molecules into *** fast heating process allows synthesizing the AGNRs in *** different molecules were successfully transformed into AGNRs,suggesting that it is a universal *** importantly,as demonstrated by Raman spectroscopy,aberrationcorrected high-resolution transmission electron microscopy and theoretical calculations,less twisted AGNRs are synthesized by the microwave heating than the furnace *** results reveal a route for rapid production of AGNRs in large scale,which would benefit future applications in novel AGNRs-based semiconductor devices.

关键词： armchair graphene nanoribbons(AGNRs) microwave heating single-walled carbon nanotubes(SWCNTs) Raman spectroscopy

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Atomic Layer Deposition of High-Capacity Anodes for Next-Generation Lithium-Ion Batteries and Beyond

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Energy & Environmental Materials 2021年第3期4卷 363-391页

作者： Yanqiang Cao Xiangbo Meng Aidong Li Institute of Micro-nano Photonic&Beam Steering School of ScienceNanjing University of Science and TechnologyNanjing 210094China Department of Mechanical Engineering Center for Advanced Surface EngineeringUniversity of ArkansasFayetteville AR 72701USA Materials Science and Engineering Department National Laboratory of Solid State MicrostructuresCollege of Engineering and Applied SciencesCollaborative Innovation Center of Advanced MicrostructuresJiangsu Key Laboratory of Artificial Functional MaterialsNanjing UniversityNanjing 210093China

Electrification has great impacts on our modern *** electrify future transportation,state-of-the-art lithium-ion batteries(LIBs)are still not sufficient in multiple aspects including cost,energy density,lifespan,and *** this end,next-generation high-energy LIBs and beyond are highly *** this regard,high-capacity anodes are undergoing intensive investigation,such as silicon,SnO_(2),and lithium ***,such anode materials are commonly experiencing large volume changes and related issues,which are reflected on mechanical degradation,capacity fading,low efficiency,and unsatisfactory *** address these challenges,many technical strategies have been *** the past decade,atomic layer deposition(ALD)has emerged as a new promising technique enabling atomic-scale surface modification and nanoscale design of high-capacity anodes for high *** this review,recent ALD studies on developing high-capacity anodes for LIBs and beyond are thoroughly *** addition,ALD strategies and their effectiveness in pursing high-energy LIBs and beyond are ***,we highlighted the latest advances of ALD for addressing the notorious issues associated with Li metal *** is expected that this work will promote the applications of ALD in new battery systems.

关键词： atomic layer deposition high-capacity anodes lithium-ion batteries and beyond nanostructured electrodes surface coating

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Fifth international conference on materials and environmental science: Role of new materials in sustainable development

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Materials Today: Proceedings 2023年 72卷 3940-3942页

作者： Touzani, R. Hammouti, B. Eddaoudi, M. Laboratory of Applied Chemistry and Environment LCAE Faculty of Science Mohammed I University PO Box. 717 Oujda60 000 Morocco Centre de Recherche Ecole des Hautes Etudes d'Ingenierie EHEIO Oujda Morocco Functional Materials Design Discovery and Development Research Group Advanced Membranes and Porous Materials Center Division of Physical Sciences and Engineering King Abdullah University of Science and Technology KAUST Thuwal 23955-6900 Saudi Arabia

The Fifth International Conference on Materials and Environmental science (ICMES20221), is an interdisciplinary platform to promote a multi-sectoral and collaborative approach in the field of development of new and innovative approaches in materials, their applications in energy and renewable energy, environmental science, sustainable development, health, biotechnology and electrical engineering. The scientific committee of ICMES2022 agreed that the health session was the priority since the Covid19 pandemic still constitutes a Public Health Emergency of International Concern. There are many multifunctional materials available by the advent of nanotechnology, ranging from carbon nanotubes, graphene, inorganic nanoparticles, conducting polymers, 2D materials, CO2 material capture, etc… Materials science Conference is an event that brings together leading researchers spanning the field of materials science and engineering to present and discuss cutting edge research with other experts in the field: exchanging ideas to advance current understanding towards the future of materials science. © 2022

关键词： Sustainable development

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Discovery of ABO_(4)scheelites with the extra low thermal conductivity through high-throughput calculations

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Journal of Materiomics 2020年第4期6卷 702-711页

作者： Yuchen Liu Dechang Jia Yu Zhou Yanchun Zhou Juanli Zhao Qian Li Bin Liu Institute for Advanced Ceramics School of Materials Science and EngineeringHarbin Institute of TechnologyHeilongjiangHarbin150080China School of Materials Science and Engineering Shanghai UniversityShanghai200444China Science and Technology on Advanced Functional Composite Laboratory Aerospace Research Institute of Materials and Processing TechnologyBeijing100076China

Searching for new materials with extra low thermal conductivities is significant in numerous fields like thermal barrier coatings and thermoelectric *** multiple-component design has successfully reduced the thermal conductivity,but it also dramatically increases the complexity of manufactural technologies and the risk of material *** this work,a specific category known as ABO_(4) scheelites that with both simple crystal structure and the structural signature of the low lattice thermal conductivity is ***-throughput calculations are employed to screen for the materials with the targeted performance by multi-dimensional mechanical/thermal property criteria and a database of 46 stable scheelites is *** scheelites with both ultra-low thermal conductivities(<1.2 W/(m∙K))and quasi-ductility are predicted to be novel thermal insulation *** thermal conductivities prefer the scheelites with large valence disparity between“A”and“B”cations and/or small ionic radius *** adopted strategy starting from the structural fingerprint and the data-driven material selection is expected to be a reference of future structural and functional ceramics design.

关键词： Scheelite High-throughput screening Low thermal conductivity Mechanical property

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