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Polysulfide regulation by defect-modulated Ta_(3)N_(5-x) electrocatalyst toward superior room-temperature sodium-sulfur batteries

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Science Bulletin 2024年第2期69卷 197-208页

作者： Zhen Zhang Dan Luo Jun Chen Chuyin Ma matthew li Haoze Zhang Renfei Feng Rui Gao Haozhen Dou Aiping Yu Xin Wang Zhongwei Chen Department of Chemical Engineering Waterloo Institute for NanotechnologyUniversity of WaterlooWaterloo N2L 3G1Canada Dalian Institute of Chemical Physics Chinese Academy of SciencesDalian 116023China South China Academy of Advanced Optoelectronics&International Academy of Optoelectronics at Zhaoqing South China Normal UniversityGuangzhou 510006China Chemical Sciences and Engineering Division Argonne National LaboratoryLemont 60439USA Canadian light Source Saskatoon S7N 2V3Canada

Resolving low sulfur reaction activity and severe polysulfide dissolution remains challenging in metalsulfur *** by a theoretical prediction,herein,we strategically propose nitrogenvacancy tantalum nitride(Ta3N5-x)impregnated inside the interconnected nanopores of nitrogendecorated carbon matrix as a new electrocatalyst for regulating sulfur redox reactions in roomtemperature sodium-sulfur *** a pore-constriction mechanism,the nitrogen vacancies are controllably constructed during the nucleation of *** defect manipulation on the local environment enables well-regulated Ta 5d-orbital energy level,not only modulating band structure toward enhanced intrinsic conductivity of Ta-based materials,but also promoting polysulfide stabilization and achieving bifunctional catalytic capability toward completely reversible polysulfide ***,the interconnected continuous Ta3N5-x-in-pore structure facilitates electron and sodium-ion transport and accommodates volume expansion of sulfur species while suppressing their shuttle *** to these attributes,the as-developed Ta3N5-x-based electrode achieves superior rate capability of 730 mAh g-1 at 3.35 A g-1,long-term cycling stability over 2000 cycles,and high areal capacity over 6 mAh cm-2 under high sulfur loading of 6.2 mg *** work not only presents a new sulfur electrocatalyst candidate for metal-sulfur batteries,but also sheds light on the controllable material design of defect structure in hopes of inspiring new ideas and directions for future research.

关键词： Tantalum nitride Nitrogen defects Sodium-sulfur batteries Electrocatalysts Polysulfide conversion

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Toward energy finance market transition:Does China's oil futures shake up global spots market?

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Frontiers of Engineering Management 2022年第3期9卷 409-424页

作者： Xingyu DAI ling XIAO matthew C.li Qunwei WANG College of Economics and Management Nanjing University of Aeronautics and AstronauticsNanjing 211106China Research Center for Soft Energy Science Nanjing University of Aeronautics and AstronauticsNanjing 211106China Royal Holloway University of London Egham TW20 0EXUnited Kingdom

China is breaking through the petrodollar system,establishing RMB-dominating crude oil futures *** country is achieving a milestone in its transition to energy finance market *** study explores the price leadership of China's crude oil futures and identifies its price co-movement to uncover whether it truly shakes up the global oil spots ***,we find that for oil spots under different gravities,China's oil futures is only a net price information receiver from light-,medium-,and heavy-gravity oil spots,but it has a relatively stronger price co-movement with these three ***,for oil spots under different sulfur contents,China's oil futures still has weak price leadership in sweet,neutral,and sour oil spots,but it has strong co-movement with ***,for oil spots under different geographical origins,China's oil futures shows price leadership in East Asian and Australian oil spots at the medium-and longrun time scales and strong price co-movement with East Asian,Middle Eastern,Latin American and Australian oil ***'s oil futures may not have good price leadership in global spots market,but it features favorable price co-movement.

关键词： China's oil futures price information spillover price co-movement BK spillover index BDECO model

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Simultaneous detection of flare-associated kink oscillations and extreme-ultraviolet waves

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Science China(Technological Sciences) 2024年第5期67卷 1592-1601页

作者： li Dong HOU ZhenYong BAI XianYong li Chuan FANG matthew ZHAO HaiSheng WANG JinCheng NING ZongJun Key Laboratory of Dark Matter and Space Astronomy Purple Mountain ObservatoryChinese Academy of SciencesNanjing210023China Yunnan Key Laboratory of the Solar Physics and Space Science Kunming650216China School of Earth and Space Sciences Peking UniversityBeijing100871China National Astronomical Observatories Chinese Academy of SciencesBeijing100101China School of Astronomy and Space Science University of Chinese Academy of SciencesBeijing100049China School of Astronomy and Space Science Nanjing UniversityNanjing210023China Key Laboratory of Modern Astronomy and Astrophysics Ministry of EducationNanjing UniversityNanjing210023China Columbus Academy GahannaOhio43230USA Key Laboratory of Particle Astrophysics Institute of High Energy PhysicsChinese Academy of SciencesBeijing100049China Yunnan Observatories Chinese Academy of SciencesKunming650216China

Kink oscillations,which are frequently observed in coronal loops and prominences,are often accompanied by extreme-ultraviolet(EUV)***,much more needs to be explored regarding the causal relationships between kink oscillations and EUV *** this article,we report the simultaneous detection of kink oscillations and EUV waves that are both associated with an X2.1 flare on 2023 March 03(SOL2023-03-03T17:39).The kink oscillations,which are almost perpendicular to the axes of loop-like structures,are observed in three coronal loops and one *** short loop shows in-phase oscillation within the same period of 5.2 min at three *** oscillation could be triggered by the pushing of an expanding loop and interpreted as the standing kink *** lags are found between the kink oscillations of the short loop and two long loops,suggesting that the kink wave travels in different *** kink oscillations of one long loop and the prominence are possibly driven by the disturbance of the coronal mass ejection(CME),and that of another long loop might be attributed to the interaction of the EUV *** onset time of the kink oscillation of the short loop is nearly same as the beginning of an EUV *** fact demonstrates that they are almost *** EUV wave is most likely excited by the expanding loop structure and shows two *** leading component is a fast coronal wave,and the trailing one could be due to the stretching magnetic field lines.

关键词： coronal loops solar flares solar prominence solar oscillations extreme-ultraviolet wave magnetohydrodynamic

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Machine learning modeling for fuel cell-battery hybrid power system dynamics in a Toyota Mirai 2 vehicle under various drive cycles

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Energy and AI 2024年第3期17卷 406-418页

作者： Adithya Legala matthew Kubesh Venkata Rajesh Chundru Graham Conway Xianguo li Southwest Research Institute San AntonioTXUSA Department of Mechanical and Mechatronics Engineering University of WaterlooWaterlooOntarioCanada

Electrification is considered essential for the decarbonization of mobility sector, and understanding and modeling the complex behavior of modern fuel cell-battery electric-electric hybrid power systems is challenging, especially for product development and diagnostics requiring quick turnaround and fast computation. In this study, a novel modeling approach is developed, utilizing supervised machine learning algorithms, to replicate the dynamic characteristics of the fuel cell-battery hybrid power system in a 2021 Toyota Mirai 2nd generation (Mirai 2) vehicle under various drive cycles. The entire data for this study is collected by instrumenting the Mirai vehicle with in-house data acquisition devices and tapping into the Mirai controller area network bus during chassis dynamometer tests. A multi-input - multi-output, feed-forward artificial neural network architecture is designed to predict not only the fuel cell attributes, such as average minimum cell voltage, coolant and cathode air outlet temperatures, but also the battery hybrid system attributes, including lithium-ion battery pack voltage and temperature with the help of 15 system operating parameters. Over 21,0000 data points on various drive cycles having combinations of transient and near steady-state driving conditions are collected, out of which around 15,000 points are used for training the network and 6,000 for the evaluation of the model performance. Various data filtration techniques and neural network calibration processes are explored to condition the data and understand the impact on model performance. The calibrated neural network accurately predicts the hybrid power system dynamics with an R-squared value greater than 0.98, demonstrating the potential of machine learning algorithms for system development and diagnostics.

关键词： Artificial neural network(ANN) Proton exchange membrane fuel cell(PEMFC) Fuel cell electric vehicle(FCEV) Fuel cell-battery electric-electric hybrid power system Data based models lithium-ion battery(liB)

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Additives strategies to improving cycling stability of li metal batteries by modifying electrode electrolyte interphases

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Progress in Natural Science:Materials International 2024年第2期34卷 338-344页

作者： Yuan li Pengfei Huang Chunyu Cui Xiaoyuan Ma li Chen Zekun li linhai li Yuhong Tian School of Biological and Chemical Engineering Guangxi University of Science and Technology School of College of Chemistry and Chemical Engineering Hunan University Isky Future Energy Institute

li metal batteries（LMBs） have attracted much attention due to the ultra-high theoretical capacity of the li metal anode（LMA）.However,the uncontrollable dendrites growth and low coulombic efficiency hinder their practical ***,we explore 3,5-difluoropyridine（2F-BD） as a novel electrolyte additive to enable highperformance *** 2F-BD additive participates in and modifies the solvation structure of li ions by reducing the coordinated number of PF6-at the electrode surface,leading to the formation of a liF and li3N-rich solid electrolyte interphase（SEI）.The liF component increases the robustness of SEI and suppresses the formation of li dendrites,while the li3N component facilitates the transportation and reaction kinetics of li *** a result,the li‖li symmetric cell presents a stable cycling performance of up to 500 h at a current density of 1 mA *** coupling with liFePO4cathode,the obtained full cell achieves high specific capacities of 106.06 mA h g-1and 84.98 mA h g-1at 2.55 mA cm-2and 5.10 mA cm-2,respectively,and maintains a high capacity retention of84.0% after 1000 cycles at 0.13 mA cm-2,with an average cycling CE of 99.58%.

关键词： li metal batteries li dendrites Electrolyte additive

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Leaching kinetics of fluorine during the aluminum removal from spent li-ion battery cathode materials

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Journal of Environmental Sciences 2024年第4期138卷 312-325页

作者： Shengjie li Jianxin Zhu Research Center for Eco-Environmental Sciences Chinese Academy of SciencesBeijing 100085China University of Chinese Academy of Sciences Beijing 100049China

The high content of aluminum(Al)impurity in the recycled cathode powder seriously affects the extraction efficiency of Nickel,Cobalt,Manganese,and lithium resources and the actual commercial value of recycled materials,so Al removal is crucially important to conform to the industrial standard of spent li-ion battery cathode *** this work,we systematically investigated the leaching process and optimum conditions associated with Al removal from the cathode powder materials collected in a wet cathode-powder peeling and recycling production line of spent li-ion batteries(liBs).Moreover,we specifically studied the leaching of fluorine(F)synergistically happened along with the removal process of Al,which was not concerned about in other studies,but one of the key factors affecting pollution prevention in the recovery *** mechanism of the whole process including the leaching of Al and F from the cathode powder was indicated by using NMR,FTIR,and XPS,and a defluoridation process was preliminarily investigated in this *** leaching kinetics of Al could be successfully described by the shrinking core model,controlled by the diffusion process and the activation energy was 11.14 kJ/***,the leaching of F was attributed to the dissolution of liPF6and decomposition of PVDF,and the kinetics associated was described by Avrami *** interaction of Al and F is advantageous to realize the defluoridation to some *** is expected that our investigation will provide theoretical support for the large-scale recycling of spent liBs.

关键词： Al removal F leaching Cathode powder Heating alkali leaching Leaching kinetics

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SEI/dead li-turning capacity loss for high-performance anode-free solid-state lithium batteries

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Journal of Energy Chemistry 2024年第9期96卷 145-152页

作者： Qianwen Yin Tianyu li Hongzhang Zhang Guiming Zhong Xiaofei Yang Xianfeng li Division of Energy Storage Dalian National Laboratory for Clean EnergyDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023LiaoningChina University of Chinese Academy of Sciences Beijing 100049China Key Laboratory of Long-Duration and Large-Scale Energy Storage Dalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023LiaoningChina Laboratory of Advanced Spectro-Electrochemistry and lithium-Ion Batteries Dalian National Laboratory for Clean EnergyDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023LiaoningChina

Anode-free solid-state lithium metal batteries(AF-SSLBs)have the potential to deliver higher energy density and improved safety beyond lithium-metal ***,the unclear mechanism for the fast capacity decay in AF-SSLBs,either determined by dead li or solid electrolyte interface(SEI),limits the proposal of effective strategies to prolong cycling *** clarify the underlying mechanism,herein,the evolution of SEI and dead li is quantitatively analyzed by a solid-state nuclear magnetic resonance(ss-NMR)technology in a typical liPF6-based polymer *** results show that the initial capacity loss is attributed to the formation of SEI,while the dead li dominates the following capacity loss and the growth rate is 0.141 mA h cm^(−2)cycle−*** reduce the active li loss,the combination of inorganic-rich SEI and self-healing electrostatic shield effect is proposed to improve the reversibility of li deposition/dissolution behavior,which reduces the capacity loss rate for the initial SEI and following dead li generation by 2.3 and 20.1 folds,*** a result,the initial Coulombic efficiency(ICE)and stable CE increase by 15.1%and 15.3%in li-Cu cells,which guides the rational design of high-performance AF-SSLBs.

关键词： Solid-state lithium batteries Solid-state NMR Anode-free SEI Dead li

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Theoretical Design of Defects as a Driving Force for Ion Transport in li_(3)OBr Solid Electrolyte

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Energy & Environmental Materials 2024年第3期7卷 143-153页

作者： Xingyun Luo Yanlu li Xian Zhao State Key Lab of Crystal Materials and Institute of Crystal Materials Shandong UniversityJinan 250100China Center for Optics Research and Engineering Shandong UniversityQingdao 266237China

Due to ever-increasing concerns about safety issues in using li ionic batteries,solid electrolytes have extensively *** li-rich antiperovskite li_(3)OBr has been considered as a promising solid electrolyte candidate,but it still suffers challenges to achieve a high ionic conductivity owing to the high intrinsic symmetry of the crystal ***,we presented a design strategy that introduces various point defects and grain boundaries to break the high lattice symmetry of li_(3)OBr crystal,and their effect and microscopic mechanism of promoting the migration of li-ion were explored *** has been found that li_(i)are the dominant defects responsible for the fast li-ion diffusion in bulk li_(3)OBr and its surface,but they are easily trapped by the grain boundaries,leading to the annihilating of the Frenkel defect pair V'_(li)+li_(i),and thus limits the V'_(li)diffusion at the grain *** V_(Br)defect near the grain boundaries can effectively drive V'_(li)across the grain boundary,thereby converting the carrier of li^(+)migration from li,in the bulk and surface to V'_(li)at the grain boundary,and thus improving the ionic conductivity in the whole li_(3)OBr *** work provides a comprehensive insight into the li^(+)transport and conduction mechanism in the li_(3)OBr *** opens a new way of improving the conductivity for all-solid-state li electrolyte material through the defect design.

关键词： defects density functional theory ionic migration solid electrolyte

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Highly polar CoP/Co_(2)P heterojunction composite as efficient cathode electrocatalyst for li-air battery

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Chinese Chemical Letters 2024年第9期35卷 486-490页

作者： Miaomiao li Mengwei Yuan Xingzi Zheng Kunyu Han Genban Sun Fujun li Huifeng li Beijing Key Laboratory of Energy Conversion and Storage Materials College of ChemistryBeijing Normal UniversityBeijing 100875China Key Laboratory of Advanced Energy Materials Chemistry(Ministry of Education) College of ChemistryNankai UniversityTianjin 300071China Center for Advanced Materials Research Beijing Normal UniversityZhuhai 519087China

In order to advance the commercialization of rechargeable li-air batteries,it is of importance to explore cathode catalyst with efficient catalytic *** metal oxides have poor electrical conductivity,while cobalt phosphide has excellent electrical conductivity and large specific surface ***,its application in organic li-air batteries has been much less studied,and the electrocatalytic activity desires to be further ***,CoP/Co_(2)P heterojunction composite with higher polarity was *** discharge product of high-polarity CoP/Co_(2)P had a new porous box-like morphology,which was easy to be decomposed and exposed more active *** highly polar CoP/Co_(2)P heterostructure composite had homogeneous pores,the synergistic effect existed between CoP and Co_(2)P,and the discharge product was porous box mixed with li_(2)O_(2)and liOH,which made CoP/Co_(2)P achieve high specific capacity of14632 m Ah/g and cycle stably 161 times when used as air electrode cathode *** work furnished a thought for the construction of cathode catalysts with efficient catalytic activity for li-air batteries.

关键词： li-air battery Cathode catalyst CoP/Co_(2)P Heterojunction structure High polarity

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Synergy effect of regulated li-plating and functional solid electrolyte interphase on graphite anodes

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Nano Research 2024年第9期17卷 8077-8085页

作者： Panpan Wang Baojia Xia Jianling li State Key Laboratory of Advanced Metallurgy University of Science and Technology BeijingBeijing 100083China Shanghai Institute of Microsystem and Information Technology Chinese Academy of SciencesShanghai 201800China

The growth of li dendrites poses potential safety hazard to lithium-ion batteries(liBs),and eliminating li dendrites thoroughly stills face tough difficulties ***,regulating li-plating is a critical optimization-direction to address the ***,a“graphite-li hybrid”anode with high reversibility is realized under the constant-capacity lithiation(CCL).Within CCL,the uniform distribution of li-plating on the graphite surface is successfully *** evolution in different states of solid electrolyte interphase(SEI)is investigated in detail to study the interaction between the potentials and impedance during the process of liintercalation and *** the potential below 0 V and the state of charge(SOC)of 110%relative to the theoretical capacity,the F-rich SEI with high stability is constructed to hinder the emergency of li dendrites and maintain the intact structure of graphite anode under long *** cell presents more than 100%Coulombic efficiency(CE)with the 900 cycles,demonstrating the reversible li-plating and the utilization of *** the CCL half-cell provides a good cycling performance and specific capacity of 900 cycles at 0.5 C,it is attributed to the synergy effect of stable inorganic-rich SEI and regulated active li-plating.

关键词： "graphite-li hybrid"anode li-plating reversibility solid electrolyte interphase(SEI)

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