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Excellent energy storage properties in non-stoichiometric Bi_(0.5)Na_(0.5)TiO_(3)-based relaxor ferroelectric ceramics

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Chinese Chemical Letters 2024年第7期35卷 470-472页

作者： Shunshun Jiang Ji Zhang Jing Wang Shan-Tao Zhang School of Materials Science and Engineering Nanjing University of Science&TechnologyNanjing 210094China State Key Laboratory of Mechanics and Control of Mechanical Structures College of Aerospace EngineeringNanjing University of Aeronautics and AstronauticsNanjing 210016China National Laboratory of Solid State Microstructures Department of Materials Science and EngineeringCollege of Engineering and Applied Science&Jiangsu Key Laboratory of Artificial Functional Materials&Collaborative Innovation Center of Advanced MicrostructuresNanjing UniversityNanjing 210093China

The rapid development of high-power and pulsed-power techniques inspires extensive investigates on high-performance ceramic-based ***,the low recoverable energy density(Wrec)hampers their wider ***,the non-stoichiometric Bi_(0.5)Na_(0.5)TiO_(3)-based ceramics were designed and *** proper introduction of oxygen vacancies facilitated activating defect dipole,giving rise to reduced remanent ***,the optimal composition exhibited an exceptional high Wrec of 8.3 J/cm^(3),a high efficiency of 85%,and excellent anti-fatigue and thermal *** work provides an efficient approach to explore ceramic capacitors with high capacitive energy storage performances.

关键词： Non-stoichiometric Bi_(0.5)Na_(0.5)TiO_(3) Ceramic capacitor Energy density Thermal stability

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Unveiling solid-solid contact states in all-solid-state lithium batteries:An electrochemical impedance spectroscopy viewpoint

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Journal of Energy Chemistry 2025年第2期101卷 16-22,I0002页

作者： Jin-Liang Li Liang Shen Zi-Ning Cheng Jun-Dong Zhang Ling-Xuan Li Yu-Tong Zhang Yan-Bin Gao Chunli Guo Xiang Chen Chen-Zi Zhao Rui Zhang Qiang Zhang Tsinghua Center for Green Chemical Engineering Electrification Beijing Key Laboratory of Green Chemical Reaction Engineering and TechnologyDepartment of Chemical EngineeringTsinghua UniversityBeijing 100084China Advanced Research Institute of Multidisciplinary Science School of Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081China Beijing Huairou Laboratory Beijing 101400China College of Materials Science and Engineering Taiyuan University of TechnologyTaiyuan 030024ShanxChina Institute for Carbon Neutrality Tsinghua UniversityBeijing 100084China Shanxi Research Institute for Clean Energy Tsinghua UniversityTaiyuan 030032ShanxiChina

All-solid-state lithium batteries(ASSLBs)are strongly considered as the next-generation energy storage devices for their high energy density and intrinsic *** solid-solid contact between lithium metal and solid electrolyte plays a vital role in the performance of working ASSLBs,which is challenging to investigate quantitatively by experimental *** work proposed a quantitative model based on the finite element method for electrochemical impedance spectroscopy simulation of different solid-solid contact states in *** the assistance of an equivalent circuit model and distribution of relaxation times,it is discovered that as the number of voids and the sharpness of cracks increase,the contact resistance Rcgrows and ultimately dominates the battery *** accurate fitting,inverse proportional relations between contact resistance Rcand(1-porosity)as well as crack angle was *** contribution affords a fresh insight into clarifying solid-solid contact states in ASSLBs.

关键词： Electrochemical impedance spectroscopy All-solid-state lithium batteries Solid-solid contacts Finite element method Equivalent circuit model Distribution of relaxation times

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Influence of Associated Cations on the Transport and Adsorption of Chloride Ions in the Nano-channel of Calcium Aluminosilicate Hydrate Gel:A Molecular Dynamics Study

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Journal of Wuhan University of technology(materials science) 2022年第5期37卷 963-976页

作者： YANG Jun ZHANG Gaozhan DING Qingjun WANG Aiguo HOU Dongshuai Anhui Province Engineering Laboratory of Advanced Building Materials School of Materials and Chemical EngineeringAnhui Jianzhu UniversityHefei230601China State Key Laboratory of Silicate Materials for Architectures School of Materials Science and EngineeringWuhan University of TechnologyWuhan430070China School of Materials Science and Engineering Department of Civil EngineeringQingdao University of TechnologyQingdao266033China

Molecular dynamics simulation was utilized to investigate the transport and adsorption of chloride in the nanopore of calcium aluminosilicate hydrate(C-A-S-H)with associated cation types of Ca,Mg,Na and *** local ionic structure,atomic dynamics and bond stability were analyzed to elucidate the interaction between cations and chloride *** results show that interfacial chloride is absorbed through the ion pairing formation in the vicinity of C-A-S-H *** cations can simultaneously interact aluminosilicate chains,water molecules and Cl^(-)ions,which restrict the motion of interfacial Cl^(-)*** solution chloride can be immobilized through the solvation effect of *** along with their hydration shell can connect to neighboring Cl^(-)ions to decrease their *** to the varied ionic chemistry,cations show different interaction strength with neighboring water molecules and anions,which determines the chloride transport behavior in the nanopore of *** chloride immobilization capacity of C-A-S-H nanopore with different associated cations is listed in following order:Mg^(2+)Ca^(2+)

关键词： calcium aluminosilicate hydrate nanometer channel confinement chloride immobilization associated cations ionic structure

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Interface-induced polymerization strategy for constructing titanium dioxide embedded carbon porous framework with enhanced chemical immobilization towards lithium polysulfides

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Nano Research 2024年第3期17卷 1473-1481页

作者： Yue Ouyang Xiaoxiao Li Jiexin Zhu Wei Zong Yuhang Dai Xuan Gao Wei Zhang Shengyuan Yang Roohollah Bagherzadeh Feili Lai Yue-E Miao Tianxi Liu State Key Laboratory for Modification of Chemical Fibers and Polymer Materials College of Materials Science and EngineeringDonghua University2999 North Renmin RoadShanghai 201620China The Key Laboratory of Synthetic and Biological Colloids Ministry of EducationSchool of Chemical and Material EngineeringJiangnan UniversityWuxi 214122China Advanced Fibrous Materials LAB Institute for Advanced Textile Materials and Technologies(ATMT)School of Advanced Materials and ProcessesAmirkabir University of TechnologyTehran 15914Iran Christopher Ingold Laboratory Department of ChemistryUniversity College London20 Gordon StreetLondon WC1H 0AJUK Department of Chemistry KU LeuvenCelestijnenlaan 200FLeuven 3001Belgium

The shuttle effect induced by soluble lithium polysulfides(LiPSs)is known as one of the crucial issues that limit the practical applications of lithium-sulfur(Li-S)***,a titanium dioxide nanoparticle embedded in nitrogen-doped porous carbon nanofiber(TiO_(2)@NCNF)composite is constructed via an interface-induced polymerization strategy to serve as an ideal sulfur *** the protection of the nanofiber walls,the uniformly dispersed TiO_(2) nanocrystalline can act as capturing centers to constantly immobilize LiPSs towards durable sulfur ***,the mesoporous microstructure in the fibrous framework endows the TiO_(2)@NCNF host with strong physical reservation for sulfur and LiPSs,sufficient pathways for electron/ion transfer,and excellent endurance for volume *** expected,the sulfur-loaded TiO_(2)@NCNF composite electrode presents a fabulous rate performance and long cycle lifespan(capacity fading rate of 0.062%per cycle over 500 cycles)at 2.0 ***,the assembled Li-S batteries harvest superb areal capacity and cycling stability even under high sulfur loading and lean electrolyte conditions.

关键词： interface-induced polymerization electrospun porous nanofibers lithium-sulfur(Li-S)batteries high sulfur loading lithium polysulfides(LiPSs)immobilization

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Sparse identification-assisted exploration of the atomic-scale deformation mechanism in multiphase CoCrFeNi high-entropy alloys

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science China(Technological sciences) 2024年第4期67卷 1124-1132页

作者： XIAO Lu GUO XiaoXiang SUN YuTong WANG Gang LONG WeiMin LIAW Peter K. REN JingLi School of Mathematics and Statistics Zhengzhou UniversityZhengzhou 450001China Academy of Mathematics and Systems Science Chinese Academy of SciencesBeijing 100190China Institute of Materials Shanghai UniversityShanghai 200444China SKL of Advanced Brazing Metals&Technology Zhengzhou Research Institute of Mechanical EngineeringZhengzhou 450001China Department of Materials Science and Engineering The University of TennesseeKnoxvilleTN 37996USA

This study investigated the atomic-scale deformation mechanism of multiphase CoCrFeNi high-entropy alloys(HEAs)at liquid helium,liquid nitrogen,and room temperatures.A million-atom multiphase HEA was prepared using molecular dynamics simulation involving melt and quench *** HEA exhibited high-density dislocations and some twins,consistent with experimental *** analysis revealed an inconsistent evolution of the microstructure under tensile *** particular,the elastic and initial plastic stages exhibited an increase in the disordered structure at the expense of the face-centered cubic and hexagonal close-packed structures,followed by a subsequent transformation involving multiple structural ***,through sparse identification,a model depicting microstructural evolution during tension was extracted for the CoCrFeNi HEA at three typical temperatures and three tensile *** model highlighted the importance of the body-centered cubic structure in the evolutionary process.

关键词： high-entropy alloy data-driven method microstructure evolution multiphase structure molecular dynamics simulation

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Trifunctional robust electrocatalysts based on 3D Fe/N-doped carbon nanocubes encapsulating Co4N nanoparticles for efficient battery-powered water electrolyzers

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Carbon Energy 2024年第6期6卷 124-139页

作者： Hyung Wook Choi Hongdae Lee Jun Lu Seok Bin Kwon Dong In Jeong Beum Jin Park Jiwon Kim Bong Kyun Kang Gun Jang Dae Ho Yoon Ho Seok Park SKKU Advanced Institute of Nano Technology(SAINT) Sungkyunkwan UniversitySuwon-siGyeonggi-doRepublic of Korea School of Chemical Engineering Sungkyunkwan UniversitySuwon-siGyeonggi-doRepublic of Korea School of Advanced Materials Science and Engineering Sungkyunkwan UniversitySuwon-siGyeonggi-doRepublic of Korea Department of Electronic Materials Devicesand Equipment EngineeringSoonchunhyang UniversityAsan CityChungnamRepublic of Korea SKKU Institute of Energy Science and Technology(SIEST) Sungkyunkwan UniversitySuwon-siGyeonggi-doRepublic of Korea Department of Health Sciences and Technology Samsung Advanced Institute for Health Sciences and Technology(SAIHST)Sungkyunkwan UniversitySuwonRepublic of Korea

Herein,we have designed a highly active and robust trifunctional electrocatalyst derived from Prussian blue analogs,where Co_(4)N nanoparticles are encapsulated by Fe embedded in N-doped carbon nanocubes to synthesize hierarchically structured Co_(4)N@Fe/N-C for rechargeable zinc-air batteries and overall water-splitting *** confirmed by theoretical and experimental results,the high intrinsic oxygen reduction reaction,oxygen evolution reaction,and hydrogen evolution reaction activities of Co_(4)N@Fe/N-C were attributed to the formation of the heterointerface and the modulated local electronic ***,Co_(4)N@Fe/N-C induced improvement in these trifunctional electrocatalytic activities owing to the hierarchical hollow nanocube structure,uniform distribution of Co_(4)N,and conductive encapsulation by Fe/***,the rechargeable zinc-air battery with Co_(4)N@Fe/N-C delivers a high specific capacity of 789.9 mAh g^(-1) and stable voltage profiles over 500 ***,the overall water electrolyzer with Co_(4)N@Fe/N-C achieved better durability and rate performance than that with the Pt/C and IrO2 catalysts,delivering a high Faradaic efficiency of 96.4%.Along with the great potential of the integrated water electrolyzer powered by a zinc-air battery for practical applications,therefore,the mechanistic understanding and active site identification provide valuable insights into the rational design of advanced multifunctional electrocatalysts for energy storage and conversion.

关键词： battery-powered electrolyzers hierarchical structure Prussian blue analog trifunctional electrocatalyst zinc-air battery

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Design of bifunctional single-atom catalysts NiSA/ZIF-300 for CO_(2) conversion by ligand regulation strategy

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Nano Research 2024年第5期17卷 3827-3834页

作者： Wengang Fu Yapei Yun Hongting Sheng Xiaokang Liu Tao Ding Shuxian Hu Tao Yao Binghui Ge Yuanxin Du Didier Astruc Manzhou Zhu Department of Chemistry and Centre for Atomic Engineering of Advanced Materials Key Laboratory of Structure and Functional Regulation of Hybrid Materials of Ministry of EducationCollege of Materials Science and EngineeringInstitutes of Physical Science and Information Technology and Anhui Province Key Laboratory of Chemistry for Inorganic/Organic Hybrid Functionalized MaterialsAnhui UniversityHefei 230601China Universitéde Bordeaux ISMUMR CNRS N°5255351 Cours de La Libération33405 Talence CedexFrance National Synchrotron Radiation Laboratory University of Science and Technology of ChinaHefei 230026China Department of Physics University of Science and Technology BeijingBeijing 100083China Anhui Tongyuan Environment Energy Saving Co. LtdHefei 230041China

Carbon-supported noble-metal-free single-atom catalysts(SACs)have aroused widespread interest due to their green chemistry aspects and excellent ***,we propose a“ligand regulation strategy”and achieve the successful fabrication of bifunctional SAC/MOF(MOF=metal-organic framework)nanocomposite(abbreviated NiSA/ZIF-300;ZIF=ZIF-8)with exceptional catalytic performance and *** designed NiSA/ZIF-300 has a planar interfacial structure with the Ni atom,involving one S and three N atoms bonded to Ni(Ⅱ),fabricated by controllable pyrolysis of volatile Ni-S *** CO_(2) cycloaddition to styrene epoxide,NiSA/ZIF-300 exhibits ultrahigh activity(turnover number(TON)=1.18×105;turnover frequency(TOF)=9830 molSC·mol_(Ni)^(-1)·h^(-1);SC=styrene carbonate)and durability at 70℃ under 1 atm CO_(2) pressure,which is much superior to Ni complex/ZIF,NiNP/ZIF-300,and most reported *** study offers a simple method of bifunctional SAC/MOF nanocomposite fabrication and usage,and provides guidance for the precise design of additional original SACs with unique catalytic properties.

关键词： single atom catalyst bifunctional CO_(2)conversion cycloaddition

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The principle and amelioration of lithium plating in fast-charging lithium-ion batteries

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Journal of Energy Chemistry 2024年第10期97卷 453-459,I0009页

作者： Yi Yang Xia-Lin Zhong Lei Xu Zhuo-Lin Yang Chong Yan Jia-Qi Huang School of Materials Science and Engineering Beijing Institute of TechnologyBeijing 100081China Advanced Research Institute of Multidisciplinary Science Beijing Institute of TechnologyBeijing 100081China Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology Department of Chemical EngineeringTsinghua UniversityBeijing 100084China Yangtze River Delta Graduate School of Beijing Institute of Technology Jiaxing 314003ZhejiangChina

Fast charging is restricted primarily by the risk of lithium(Li)plating,a side reaction that can lead to the rapid capacity decay and dendrite-induced thermal runaway of lithium-ion batteries(LIBs).Investigation on the intrinsic mechanism and the position of Li plating is crucial to improving the fast rechargeability and safety of ***,we investigate the Li plating behavior in porous electrodes under the restricted transport of Li^(+).Based on the theoretical model,it can be concluded that the Li plating on the anodeseparator interface(ASI)is thermodynamically feasible and kinetically ***,the prior deposition of metal Li on the ASI rather than the anode-current collector interface(ACI)is verified *** order to facilitate the transfer of Li^(+)among the electrode and improve the utilization of active materials without Li plating,a bilayer asymmetric anode composed of graphite and hard carbon(GH)is *** and simulation results suggest that the GH hybrid electrode homogenizes the lithiated-rate throughout the electrode and outperforms the pure graphite electrode in terms of the rate performance and inhibition of Li *** work provides new insights into the behavior of Li plating and the rational design of electrode structure.

关键词： Graphite Hard carbon Fast charging Lithium plating Lithium-ion batteries

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A flexible solid polymer electrolyte enabled with lithiated zeolite for high performance lithium battery

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Nano Research 2023年第7期16卷 9443-9452页

作者： Zhiyu Ding Qiming Tang Qi Zhang Penghui Yao Xingjun Liu Junwei Wu Shenzhen Key Laboratory of Advanced Materials Department of Materials Science and EngineeringHarbin Institute of Technology(Shenzhen)Shenzhen 518055China Maryland Energy Innovation Institute University of MarylandCollege ParkMD 20742USA Department of Chemical and Metallurgical Engineering Aalto UniversityKemistintie 1Aalto FI-00076Finland

Solid-state lithium batteries using composite polymer electrolytes(CPEs)have attracted much attention owing to their higher safety compared to liquid electrolytes and flexibility compared to ceramic ***,their unsatisfactory lithium-ion conductivity still limits their ***,a high ion conductive CPE with multiple continuous lithium pathways is *** new electrolyte consists of poly(vinylidene fluorideco-hexafluoropropylene)(PVDF-HFP)and lithiated X type zeolite(Li-X),which possesses a high ionic conductivity(1.98×10^(-4)S/cm),high lithium transference number(t_(Li^(+))=0.55),wide electrochemical window(4.7 V),and excellent stability against the lithium *** functional theory(DFT)calculation confirms that the Lewis acid sites in zeolite can graft with N,N-dimethylformamide(DMF)and PVDF-HFP chains,resulting in decreased crystallinity of polymer and providing rapid Li+transmission *** used in a full cell,the solid Li|Li-X-3%|LiFePO_(4) cell displays excellent cycling stability and rate performance at room temperature and 60℃.Furthermore,pouch cells with the Li-X-3%electrolyte exhibit brilliant safety under extreme conditions,such as folding and ***,this proposed zeolite-PVDF-HFP CPE represents a promising potential in the application of making a safer,higher performing,and flexible solid-state lithium battery.

关键词： solid-state lithium batteries composite polymer electrolytes zeolite poly(vinylidene fluorideco-hexafluoropropylene)(PVDF-HFP) flexible

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Effect of alloy compositions and aging conditions on tensile properties of cold-rolled Al-Mg-Si alloys

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Keikinzoku/Journal of Japan Institute of Light Metals 2023年第12期73卷 592-597页

作者： Fukuzawa, Hiroki Ishii, Yuki Kobayashi, Junya Kobayashi, Equo Ohnuma, Masato Kuramoto, Shigeru Itoh, Goroh Graduate School of Science and Engineering Ibaraki University 4-12-1 Nakanarusawa-cho Ibaraki Hitachi-shi316-8511 Japan Department of Materials Science and Engineering School of Materials and Chemical Technology Tokyo Institute of Technology Tokyo Meguro-ku Japan Division of Quantum Science and Engineering Faculty of Engineering Centre for Advanced Research of Energy and Materials Hokkaido University Hokkaido Sapporo-shi Japan

Tensile properties have been evaluated for four kinds of Al-Mg-Si base alloys which were cold rolled by 90% and subsequently aged for 1 min, 30 min, 18 h at 170°C. To study the effect of alloy compositions and aging conditions on deformation behavior, fracture surface observations and strain distribution analysis during tensile deformation were performed. Strain distribution in the tensile specimens was evaluated by digital image correlation method. The ductility in the specimens aged for 1 min and 30 min after cold rolling was improved due to increase in both uniform and local elongation. All the specimens showed ductile fracture, while the specimen added with 0.71%Fe showed slightly lower ductility. The addition of copper improved strength without deteriorating ductility. The relation between mechanical properties and microstructure is discussed to obtain basic information required to improve strength and ductility of Al-Mg-Si alloys. © 2023 The Japan Institute of Light Metals.

关键词： Silicon alloys

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