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Pd cluster decorated free standing flexible cathode for high performance Li-oxygen batteries

Nano Research 2024年第4期17卷 2678-2686页

作者： Liang Guo Guoliang Zhang Ruonan Yang Dongmei Zhang Xiuqi Zhang Han Yu Xia Li Feng Dang key laboratory for liquid-solid structure evolution and processing of materials Ministry of EducationShandong UniversityJinan 250061China

As a promising candidate for the next generation energy storage system,rechargeable lithium-oxygen batteries(LOBs)still face substantial challenges caused by insulating discharge products that preclude their practical *** highly efficient cathode catalysts capable of facilitating formation/decomposition of discharge products is considered as an essential approach towards high performance ***,Pd decorated Te nanowires(Pd@Te NWs)were synthesized as advanced catalyst in LOBs to maximize Pd utilization and achieve synergistic effect,in which Pd clusters were uniformly grown on Te substrate though regulating the Pd:Te ***,Pd@Te nanowires assembled into an interpenetrating network-like structure by vacuum filtration and employed as flexible cathode,enabling LOBs achieved an ultralong 190 cycles stability and a superior specific capacity of 3.35 mAh·cm^(-2).Experimental studies and density functional theory(DFT)calculations reveal the excellent catalytic ability of Pd@Te and synergistic catalytic mechanism of Pd and Te,in which uniform electron distribution,extensive electron exchange,and large adsorption distance between Pd cluster and discharge products promote homogeneous adsorption/desorption of discharge products,while the high adsorption energy of Te substrate for Li species reduces the initial dynamical energy barrier during discharging *** current work provides viable strategy to design composite catalysts for flexible cathode of LOBs with synergistic catalytic effects.

关键词： flexible lithium-oxygen batteries Pd@Te synergistic catalysis cathode catalysts density functional theory(DFT)calculation

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Possibility and stabilizing effect of Mo clusters in the Ni-based single-crystal superalloy

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Communications in Theoretical Physics 2024年第08期76卷 189-194页

作者： Yiqun Du Huixin Jin Rongkai Kang Boya Zhang Han Wang Jianxin Zhang key laboratory for liquid–solid Structural evolution and processing of materials (Ministry of Education) School of Materials Science and Engineering Shandong University Department of materials Science and Technology Tokyo University of Science

Nickel-based single-crystal superalloys are crucial materials for the preparation of aero-engine turbine blades. Many solute elements are added to superalloys for strengthening. However, the relationship between the clustering behavior of solute atoms and the properties of nickel-based single-crystal superalloys is still unclear. Herein, we conduct first-principles calculations onγ phases with Mo-Mo and Mo-Mo-Ru clusters to reveal the possibility and stabilizing mechanism of solute clusters. Introducing Mo lowers the total energy, binding energy, and formation energy of the γ phase due to the replacement of weak Ni-Ni interaction with strong Mo-Ni bonding. Note that the γ phase containing the Mo-Mo cluster is more stable than that containing a Mo single atom, possibly owing to a wide affecting range. The Ru atom added to the γ phase can further boost system stability, and it tends to form a Mo-Mo-Ru cluster. The stabilizing impact of the Mo-Mo-Ru cluster is demonstrated to be the replacement of weak Ni-Mo interaction by the strong Ru-Mo interaction, which may be derived from the enhanced d-orbital hybridization.

关键词： density functional theory solute cluster superalloys

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Homologous heterostructure of MoS2 and MoO2 coupled with carbon layers as cathode catalyst for rechargeable lithium-oxygen batteries

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Rare Metals 2024年第7期43卷 3383-3390页

作者： Yi-Ming Zhang Zhao-Rui Zhou Lan-Ling Zhao Ye-Bing Li Rui-Feng Li Ya Zhou Sana Shoukat Abulgasim-Ahmed-Abbaker Adam Jun Wang key laboratory for liquid-solid Structural evolution and processing of materials (Ministry of Education) Shandong University Shenzhen Research Institute of Shandong University School of Physics Shandong University

Lithium-oxygen batteries tend to experience high overpotentials because of the sluggish oxygen reduction reaction and oxygen evolution reaction during cycling.A potential solution to address this issue is to develop a... 详细信息

关键词： Electrolytic reduction

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Robust, breathable, and chemical-resistant polytetrafluoroethylene (PTFE) films achieved by novel in-situ fibrillation strategy for highperformance triboelectric nanogenerators

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Nano Research 2024年第3期17卷 1942-1951页

作者： Jialong Chai Guilong Wang Jinchuan Zhao Guizhen Wang Chao Wei Aimin Zhang Guoqun Zhao laboratory for liquid-solid Structural evolution and processing of materials(Ministry of Education) Shandong UniversityJinan 250061China key laboratory of Chinese Education Ministry for Tropical Biological Resources Hainan UniversityHaikou 570228China

In the era of advanced wearable electronic devices,the triboelectric nanogenerators(TENGs)as energy harvesting and self-powered sensing units hold great *** appropriate triboelectric material is the crucial factor to optimize the performance of TENG,while polytetrafluoroethylene(PTFE)stands out as a highly versatile option among the various *** this study,we present an ultrafine nanofibrous PTFE(NF-PTFE)films prepared by novel in-situ fibrillation strategy as the triboelectric material in TENG *** innovative processing methodology facilely addresses the dilemma between high porosity and fine pore size of traditional porous PTFE films,meanwhile achieves exceptional mechanical strength,hydrophobicity,air permeability,and chemical resistance of the *** the integration of nanofibrous PTFE films into contact-separation mode TENG and droplet-based TENG,these devices realize the peak electrical output of 131 V/10.8μA and 54 V/14μA with great durability,which surpass the performance of TENGs using traditional expanded PTFE ***,a smart glove capable of recognizing hand gestures is proposed,which demonstrates the versatility,flexibility,and practicality of this material for potential use in smart *** reported NF-PTFE film provides insights for the design of high-performance TENG device for advanced wearable electrical applications.

关键词： polytetrafluoroethylene(PTFE) nanofibrous film hydrophobic triboelectric nanogenerator self-powered sensor

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Strategy for suppressing abnormal grain growth of ZK60 Mg alloy during solution by pre-compression:A quasi-in-situ study

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Journal of materials Science & Technology 2024年第4期171卷 115-128页

作者： Zhenxu Wang Liang Chen Jianwei Tang Cunsheng Zhang Guoqun Zhao key laboratory for liquid-solid Structural evolution and processing of materials(Ministry of Education) Shandong UniversityJinanShandong 250061China Department of Mechanical Engineering Kyushu UniversityFukuoka 819-0395Japan

Abnormal grain growth(AGG)easily takes place in Mg alloys during high-temperature solutions,result-ing in deterioration of mechanical ***,the compression prior to solution(pre-compression)was conducted to suppress AGG,and the microstructure evolution as well as suppressing mechanisms was investigated based on quasi-in-situ *** compression along the transverse direction,//ED grains preferentially nucleated and rapidly grew up,and the initial//ED texture was *** grain growth modes of heat-induced and strain-induced grain boundary migrations were *** former was attributed to the high interfacial energy of grain boundaries with large *** latter consumed the adjacent grains with high storage energy,forming abnormal grains with irregular *** compression with a reduction>6%could obviously suppress *** suppressing effects were mainly attributed to weakening the size advantage of//ED grains,increasing nucleation,reducing grain boundary character distribution,and redistributing storage energy *** 12%compression along the transverse direction,30°misorientation of//ED grains and high energy grain boundaries were ***{10-12}tensile twins and{10-15}high index twins induced by com-pression increased the nucleation of static ***,compression introduces high-density dislocations,which also contributed to suppressing AGG behavior during solution.

关键词： Quasi-in-situ analysis Mg alloy Abnormal grain growth Compression Microstructure

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Self-healing Ga-based liquid metal/alloy anodes for rechargeable batteries

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Nano Research 2024年第3期17卷 1366-1383页

作者： Meijia Song Zhonghua Zhang School of Energy and Power Jiangsu University of Science and TechnologyZhenjiang 212000China key laboratory for liquid-solid Structural evolution and processing of materials(Ministry of Education) School of Materials Science and EngineeringShandong UniversityJingshi Road 17923Jinan 250061China

With the rapid development of electronics,electric vehicles,and grid energy storage stations,higher requirements have been put forward for advanced secondary *** metal/alloy electrodes have been considered as a promising development direction to achieve excellent electrochemical performance in metal-ion batteries,due to their specific advantages including the excellent electrode kinetics and self-healing ability against microstructural electrode *** conventional liquid batteries,high temperatures are needed to keep electrode liquid and ensure the high conductivity of molten salt electrolytes,which also brings the corrosion and safety ***-based metal/alloys,which can be operated at or near room temperature,are potential candidates to circumvent the above *** this review,the properties and advantages of Ga-based metal/alloys are ***,Ga-based liquid metal/alloys as anodes in various metal-ion batteries are reviewed in terms of their self-healing ability,battery configurations,working mechanisms,and so ***,some views on the future development of Ga-based electrodes in batteries are provided.

关键词： metal-ion batteries Ga-based liquid metal/alloy anodes self-healing capability room temperature

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Carbon nanotube-supported mixed-valence Mn_(3)O_(4) electrodes for high-performance lithium-oxygen batteries

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ChemPhysMater 2024年第1期3卷 94-102页

作者： Yuting Zhu Jing Gao Zhongxiao Wang Rui Sun Longwei Yin Chengxiang Wang Zhiwei Zhang key laboratory for liquid-solid Structural evolution and processing of materials Ministry of EducationSchool of Materials Science and EngineeringShandong UniversityJinan 250061China

Lithium-oxygen batteries(LOBs)have extensive applications because of their ultra-high energy ***,the practical application of LOBs is limited by several factors,such as a high overpotential,poor cycle stability,and limited rate *** this paper,we describe the successful uniform loading of Mn_(3)O_(4) nanoparticles onto multi-walled carbon nanotubes(Mn_(3)O_(4)@CNT).CNTs form a conductive network and expose numerous catalytically active sites,and the one-dimensional porous structure provides a convenient channel for the transmission of Li+and O2 in *** electronic conductivity and electrocatalytic activity of Mn_(3)O_(4)@CNT are significantly better than those of MnO@CNT because of the inherent driving force facilitating charge transfer between different valence metal ***,the Mn_(3)O_(4)@CNT cathode obtains a low overpotential(0.76 V at a limited capacity of 1000 mAh g^(-1)),high initial discharge capacity(16895 mAh g^(-1) at 200 mA g^(-1)),and long cycle life(97 cycles at 200 mA g^(-1)).This study provides evidence that transition metal oxides with mixed-valence states are suitable for application as efficient cathodes for LOBs.

关键词： Mixed-valence states Carbon nanotube Electrode reaction kinetics Lithium–oxygen batteries

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Low-permittivity LiLn(PO_(3))_(4)(Ln=La,Sm,Eu)dielectric ceramics for microwave/millimeter-wave communication

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Journal of Advanced Ceramics 2024年第5期13卷 602-620页

作者： Huanrong Tian Xiaohan Zhang Zidong Zhang Yao Liu Haitao Wu key laboratory for liquid-solid Structural evolution and processing of materials(Ministry of Education) Shandong UniversityJinan 250061China School of materials Science and Engineering Shandong UniversityJinan 250061China School of Environmental and Material Engineering Yantai UniversityYantai 264005China

The development of dielectric materials with low permittivity and low loss is a great challenge in wireless *** this study,LiLn(PO_(3))_(4)(Ln=La,Sm,Eu)ceramic systems were successfully prepared using the traditional solid-state method.X-ray diffraction analysis indicated that the LiLn(PO_(3))_(4)ceramics crystallized in a monoclinic structure when sintered at 850–940℃.The characteristic peak shifted to higher angles with variations in the Ln element,which was ascribed to a reduction in the cell *** analysis by structure refinement revealed that the reduction in the cell volume resulted from the decrease in chemical bond lengths and the compression of[LiO_(4)]and[PO_(4)]***,the LiLn(PO_(3))_(4)ceramic system displayed exceptional performance at low sintering temperatures(910–925℃),including a high quality factor(Q·f)of 41,607–75,968 GHz,low temperature coefficient of resonant frequency(τ_(f))ranging from−19.64 to−47.49 ppm/℃,low permittivity(ε_(r))between 5.04 and 5.26,and low density(3.04–3.26 g/cm^(3)).The application of Phillips–van Vechten–Levine(P–V–L)theory revealed that the increased Q·f value of the LiLn(PO_(3))_(4)systems can be attributed to the enhanced packing fraction,bond covalency,and lattice energy,and the stability of τ_(f) was associated with the increase in the bond ***,a prototype microstrip patch antenna using LiEu(PO_(3))_(4) ceramics was *** measurement results demonstrated excellent antenna performance with a bandwidth of 360 MHz and a peak gain of 5.11 dB at a central frequency of 5.08 ***,low-εr LiLn(PO_(3))_(4)ceramic systems are promising candidates for microwave/millimeter-wave communication.

关键词： low permittivity LiLn(PO_(3))_(4) microwave dielectric properties Phillips-van Vechten-Levine(P-V-L)theory microstrip patch antenna

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Rational design of F,N-rich artificial interphase via chemical prelithiation initiation strategy enabling high coulombic efficiency and stable micro-sized SiO anodes

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Journal of Energy Chemistry 2024年第5期92卷 224-232页

作者： Quanyan Man Hengtao Shen Chuanliang Wei Baojuan Xi Shenglin Xiong Jinkui Feng key laboratory for liquid-solid Structural evolution and processing of materials(Ministry of Education) School of Materials Science and EngineeringShandong UniversityJinan 250061ShandongChina School of Chemistry and Chemical Engineering Shandong UniversityJinan 250100ShandongChina

Silicon monoxide(SiO)is regarded as a potential candidate for anode materials of lithium-ion batteries(LIBs).Unfortunately,the application of SiO is limited by poor initial Coulombic efficiency(ICE)and unsteady solid electrolyte interface(SEI),which induce low energy,short cycling life,and poor rate *** address these drawbacks of SiO,we achieve in-situ construction of robust and fast-ion conducting F,N-rich SEI layer on prelithiated micro-sized SiO(P-μSiO)via the simple and continuous treatment ofμSiO in mild lithium 4,4′-dimethylbiphenyl solution and nonflammable hexafluorocyclotriphosphazene *** prelithiation eliminates irreversible capacity through pre-forming inactive lithium ***,the symbiotic F,N-rich SEI with good mechanical stability and fast Li^(+)permeability is conductive to relieve volume expansion ofμSiO and boost the Li+diffusion ***,the P-μSiO realizes an impressive electrochemical performance with an elevated ICE of 99.57%and a capacity retention of 90.67%after 350 ***,the full cell with P-μSiO anode and commercial LiFePO_(4) cathode displays an ICE of 92.03%and a high reversible capacity of 144.97 mA h g^(-1).This work offers a general construction strategy of robust and ionically conductive SEI for advanced LIBs.

关键词： Chemical prelithiation Silicon monoxide SEI Lithium-ion batteries Interphase engineering

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The chemical environment and structural ordering in liquid Mg-Y-Zn system:An ab-initio molecular dynamics investigation of melt for the formation mechanism of LPSO structure

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Journal of Magnesium and Alloys 2024年第2期12卷 815-824页

作者： Tangpeng Ma Jin Wang Kaiming Cheng Chengwei Zhan Jixue Zhou Jingyu Qin Guochen Zhao Xinfang Zhang Shandong Provincial key laboratory of High Strength Lightweight Metallic materials Advanced Materials InstituteQilu University of Technology(Shandong Academy of Sciences)Jinan 250014China key laboratory for liquid-solid Structural evolution and processing of materials Ministry of EducationShandong UniversityJinan 250061China School of Metallurgical and Ecological Engineering University of Science and Technology BeijingBeijing 100083China

In an effort to clarify the formation mechanism of LPSO structure in Mg-Y-Zn alloy,the chemical environment and structural ordering in liquid Mg-rich Mg-Y-Zn system are investigated with the aid of ab-initio molecular dynamics *** liquid Mg-rich Mg-Y alloys,the strong Mg-Y interaction is determined,which promotes the formation of fivefold symmetric local *** Mg-Zn alloys,the weak Mg-Zn interaction results in the fivefold symmetry weakening in the liquid *** to the coexistence of Y and Zn,the strong attractive interaction is introduced in liquid Mg-Y-Zn ternary alloy,and contributes to the clustering of Mg,Y,Zn launched from *** is more,the distribution of local structures becomes closer to that in pure Mg compared with that in binary Mg-Y and Mg-Zn *** results should relate to the origins of the Y/Zn segregation zone and close-packed stacking mode in LPSO structure,which provides a new insight into the formation mechanism of LPSO structure at atomic level.

关键词： Mg-Y-Zn Chemical environment Structural ordering ab-initio molecular dynamics

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