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Journal of Energy Chemistry 2024年第4期91卷 609-618页

作者： Zhanglong Yu Xueling Shen Ran Xu Zheng Wang Zengming Wan Mingyang Chen Yi Cui Yanyan Fang Xiaoli Ma China Automotive battery Research Institute co. Ltd.Beijing 101407China China Grinm Group co. Ltd.Beijing 100088China Ministry of Industry and Information technology Equipment Industry Development CenterBeijing 100846China Hefei Guoxuan High-tech Power energy co. Ltd.Hefei 230000AnhuiChina

In this study,a detailed analysis of the co.bustion behaviors of the lithium iron phosphate(LFP)and lithium manganese oxide(LMO)batteries used in electric bicycles was co.ducted.This research included quantitative measurements of the co.bustion duration,flame height,co.bustion temperature,heat release rate,and total heat release.The results indicated that LMO batteries exhibited higher co.bustion temperatures of 600–700°C,flame heights of 70–75 cm,a significantly higher heat release rate of40.1 k W(12 Ah),and a total heat release of 1.04 MJ(12 Ah)co.pared to LFP batteries with the same capacity.Based on these experimental results,a normalized total heat release(NORTHR)parameter was proposed,demonstrating good universality for batteries with different capacities.Utilizing this parameter,quantitative calculations and optimization of the extinguishing agent dosage were co.ducted for fires involving these two types of batteries,and the method was validated by extinguishing fires for these two types of battery packs with water-based extinguishing fluids.

关键词： co.bustion behavior Electric bicycle Lithium-ion battery Fire extinguishing Normalized total heat release

Atomistic mechanism of high ionic co.ductivity in lithium ytterbium-based halide solid electrolytes:A first-principles study

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Journal of Rare Earths 2024年第1期42卷 155-162,I0006页

作者： Limin Wang Wei Xiao Lu Sun Rong Yang Jinqiu Yu Ligen Wang State Key Laboratory of Nonferrous Metals and Processes China GRINM Group Co.Ltd.Beijing100088China GRIMAT Engineering Institute co. Ltd.Beijing101407China General Research Institute for Nonferrous Metals Beijing100088China China Automotive battery Research Institute co. Ltd.Beijing101407China Rare Earth Functional Materials(Xiong'an)Innovation Center co. Ltd.Xiong'an071700China

As the next generation of co.mercial automotive power batteries begins replacing liquid lithium batteries,many look towards all-solid-state batteries to pioneer the future.All-so lid-state batteries have attracted the attention of co.ntless researchers around the world because of their high safety and high energy density.In recent times,halide solid-state electrolytes have beco.e a research hotspot within solid-state electrolytes because of their potentially superior properties.In this paper,in the framework of DFT,we investigated the atomic mechanisms of improving the ionic co.ductivity and stability of Li_(3)YbCl_(6).Our calculations show that both trigonal and orthorhombic Li_(3)YbCl_(6) exhibit wide electrochemical windows and metastable properties(100 meV/atom>Ehull>0 meV/atom).However,the orthorhombic Li_(3)YbCl_(6) can be stabilized at high temperatures by taking the vibrational entropy into acco.nt,which is supported by the experimental results.Moreover,it is expected that because of the Yb/Li synergistic interactions that,due to their strong mutual co.lomb repulsion,influence the Li^(+)transport behavior,the orthorhombic Li_(3)YbCl_(6) might have superior ionic co.ductivities with appropriate Li+migration paths determined by the Yb^(3+) distribution.Also,higher ionic co.ductivities can be obtained by regulating the random distribution of Li^(+) ions.Further Li^(+)-deficiency can also largely increase the ionic co.ductivity by invoking vacancies.This study helps gain a deeper understanding of the laws that govern ionic co.ductivities and stabilities and provides a certain theoretical reference for the experimental development and design of halide solid-state electrolytes.

关键词： Halide solid-state electrolytes Phase stability Ionic co.ductivity First-principles calculations Rare earths

Plane-co.trolled growth strategy improves electrochemical performance of co.alt-free LiNi0.9Mn0.1O2 cathode

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Progress in Natural Science:Materials International 2024年第3期34卷 569-577页

作者： Hao Tong Xun Yuan Ningbo Qin Yaoco.g Han Yan Cheng Fangli Ji Ruirui Tuo Changlang Liang Yi Wang Qilin Tong Zhaozhe Yu Guangxi Key Laboratory of Manufacturing Systems and Advanced Manufacturing technology Guilin University of Electronic Technology Guangxi CNGR New Energy Science & technology co. LTD. Guangxi Institute of Science and technology Development co. LTD. School of Chemistry and Chemical Engineering Guangxi Minzu University

The ultra-high nickel-layered cathodes（Ni ≥ 90 %） has garnered significant attention due to its high specific capacity. However, the widespread application of ultra-high nickel-layered cathodes still suffers limitation by structural instability and poor rate performance. Herein, a crystal-face-induced strategy is proposed to enhance rate and cycling performances of the electrode by co.structing rapid Li+diffusion channel and reducing internal grain boundaries of seco.dary particles. The crystal-face-induced strategy facilitates the growth of {010} lattice plane. Highly exposed {010} planes provide wide-open and unobstructed channels for Li+deintercalation/intercalation, enhances the electrode diffusion kinetics, and thus improves the electrode rate performance. In addition, this strategy promotes the primary particle growth, reduces the grain boundaries of seco.dary particles and mitigates the electrode/electrolyte interface side reactions, enhancing the structural stability and cycling life of the electrode. Acco.dingly, the modified sample achieved a reversible specific capacity of 198.3 mAh g-1at 1 C(1 C = 180 mA g-1) and maintained a capacity retention rate of 88.5 % after 100 cycles, higher than that of the original sample(73.6 %, 146 mAh g-1). At the high rate of 5 C, it can maintain a high specific capacity of 178mAh g-1（capacity retention rate of 99 %） after 150 cycles. This work is a leap in ultra-high nickel-layered cathodes development and provides insights into the design of electrode materials for other batteries.

关键词： co.alt-free nickel-rich cathode Lithium-ion battery Plane-co.trolled growth strategy Rate and cycling performances

Regulating the inner Helmholtz plane structure at the electrolyte-electrode interface for highly reversible aqueous Zn batteries

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Journal of Energy Chemistry 2024年第8期95卷 57-67页

作者： Jianghe Liu Sanlue Hu Hexin Guo Guobin Zhang Wen Liu Jianwei Zhao Shenhua Song Cuiping Han Baohua Li Shenzhen Key Laboratory on Power battery Safety and Shenzhen Geim Graphene Center Tsinghua Shenzhen International Graduate School Tsinghua University Shenzhen Key Laboratory of Advanced Materials School of Materials Science and Engineering Harbin Institute of Technology Faculty of Materials Science and Energy Engineering/Institute of technology for Carbon Neutrality Shenzhen Institute of Advanced Technology Chinese Academy of Sciences Shenzhen HUASUAN technology co. Ltd.

The development of aqueous Zn batteries is limited by parasitic water reactions,co.rosion,and dendrite growth.To address these challenges,an inner Helmholtz plane（IHP） regulation method is proposed by employing low-co.t,non-toxic maltitol as the electrolyte additive.The preferential adsorption behavior of maltitol can expel the water from the inner Helmholtz plane,and thus hinder the immediate co.tact between Zn metal and H2O.Meanwhile,strong interaction between maltitol and H2O molecules can restrain the activity of H2O.Besides,the "IHP adsorption effect" along with the low LUMO energy level of maltitol-CF3SO3-can promote the in-situ formation of an organic-inorganic co.plex solid electrolyte interface（SEI） layer.As a result,the hydrogen/oxygen evolution side reaction,co.rosion,and dendrites issues are effectively suppressed,thereby leading to highly reversible and dendrite-free Zn plating/stripping.The Zn‖I2battery with hybrid electrolytes also demonstrates high electrochemical performance and ultralong cycling stability,showing a capacity retention of 75% over 20000 charge-discharge cycles at a large current density of 5 A g-1.In addition,the capacity of the device has almost no obvious decay over20000 cycles even at-30℃.This work offers a successful electrolyte regulation strategy via the IHP adsorption effect to design electrolytes for high-performance rechargeable Zn-ion batteries.

关键词： Adsorption effect Dendrite suppression Inner Helmholtz plane SEI layer Zn||I2 battery

A Fluorinated,Ion-co.ducting and Adaptive Supramolecular Polymer Protective Layer for Stabilizing Lithium Metal Anodes

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CCS Chemistry 2024年第5期6卷 1157-1164页

作者： Tao Chen Bo Qin Yunco.g Liu Zhekai Jin Haiping Wu Chao Wang Xi Zhang Institute of Smart City and Intelligent Transportation Southwest Jiaotong UniversityChengdu 610032 Key Lab of Organic Optoelectronics and Molecular Engineering Department of ChemistryTsinghua UniversityBeijing 100084 Department of battery technology BYD Shanghai Co.Ltd.Shanghai 201611

Perfluoropolyether(PFPE)is a promising material for protective co.tings on Li metal anodes due to its chemical inertness and minimal swelling in electrolytes.However,a co.ventional PFPE co.ting with poor ionic co.ductivity and mechanical stability is still not satisfactory for long-term cycling of Li anodes.Here,we design and synthesize an adaptive and high-co.ductivity supramolecular polymer(PFPE-EG-I).This polymer is co.structed from PFPE chains,ethylene glyco.(EG)segments,and hydrogen-bonding moieties derived from isophoronediisocyanate,serving as a multifaceted artificial solid electrolyte interphase(SEI).The inco.porated EG segments enhance the Li+co.ductivity of the SEI,and the hydrogen-bonding units introduce a dynamic self-adaptive behavior to the polymer matrix.A solution-processed PFPE-EG-I co.ting is demonstrated to promote uniform Li deposition and mitigate side reactions between Li and the electrolyte.co.sequently,this leads to enhanced co.lombic efficiency and prolonged cycle longevity in lithium metal batteries(LMBs).The innovative design of this multifunctional artificial SEI offers a promising avenue for the realization of dendrite-free Li anodes,paving the way for the advancement of high-performance LMBs.

关键词： supramolecular polymers batteries lithium anodes artificial solid electrolyte interphase perfluoropolyether

co.structing high-toughness polyimide binder with robust polarity and ion-co.ductive mechanisms ensuring long-term operational stability of silico.-based anodes

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Journal of Energy Chemistry 2024年第6期93卷 580-591,I0014页

作者： Yongjun Kang Nanxi Dong Fangzhou Liu Daolei Lin Bingxue Liu Guofeng Tian Shengli Qi Dezhen Wu State Key Laboratory of Chemical Resource Engineering Beijing University of Chemical TechnologyBeijing 100029China ENFI R&D Institute China ENFI Engineering CorporationBeijing 100038China China Automotive battery Research Institute co. Ltd.Beijing 101407China Changzhou Institute of Advanced Materials Beijing University of Chemical TechnologyChangzhou 213164JiangsuChina

Silico.-based materials have demonstrated remarkable potential in high-energy-density batteries owing to their high theoretical capacity.However,the significant volume expansion of silico. seriously hinders its utilization as a lithium-ion anode.Herein,a functionalized high-toughness polyimide(PDMI) is synthesized by co.olymerizing the 4,4'-Oxydiphthalic anhydride(ODPA) with 4,4'-oxydianiline(ODA),2,3-diaminobenzoic acid(DABA),and 1,3-bis(3-aminopropyl)-tetramethyl disiloxane(DMS).The co.bination of rigid benzene rings and flexible oxygen groups(-O-) in the PDMI molecular chain via a rigidness/softness co.pling mechanism co.tributes to high toughness.The plentiful polar carboxyl(-co.H) groups establish robust bonding strength.Rapid ionic transport is achieved by inco.porating the flexible siloxane segment(Si-O-Si),which imparts high molecular chain motility and augments free volume holes to facilitate lithium-ion transport(9.8 × 10^(-10) cm^(2) s^(-1) vs.16 × 10^(-10) cm^(2) s~(-1)).As expected,the SiO_x@PDMI-1.5 electrode delivers brilliant long-term cycle performance with a remarkable capacity retention of 85% over 500 cycles at 1.3 A g^(-1).The well-designed functionalized polyimide also significantly enhances the electrochemical properties of Si nanoparticles electrode.Meanwhile,the assembled SiO_x@PDMI-1.5/NCM811 full cell delivers a high retention of 80% after 100 cycles.The perspective of the binder design strategy based on polyimide modification delivers a novel path toward high-capacity electrodes for high-energy-density batteries.

关键词： Polyimide binder High toughness Robust ionic transport Silico.-based anodes Lithium-ion batteries

Modularized sulfur storage achieved by 100% space utilization host for high performance lithium-sulfur batteries

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Chinese Chemical Letters 2024年第4期35卷 237-243页

作者： Jun Jiang Tong Guo Wuxin Bai Mingliang Liu Shujun Liu Zhijie Qi Jingwen Sun Shugang Pan Aleksandr L.Vasiliev Zhiyuan Ma Xin Wang Junwu Zhu Yongsheng Fu Key Laboratory for Soft Chemistry and Functional Materials of Ministry of Education Nanjing University of Science and TechnologyNanjing 210094China Changzhou Institute of technology Changzhou 213032China Shubnikov Institute of Crystallography Russian Academy of SciencesLeninskii pr.59Moscow 119333Russia Jiangsu Pylon battery co. Ltd.Yangzhou 211400China

Popularization of lithium-sulfur batteries(LSBs) is still hindered by shuttle effect and volume expansion.Herein, a new modularized sulfur storage strategy is proposed to solve above problems and acco.plished via employing 100% space utilization host material of co.alt loaded carbon nanoparticles derived from ZIF-67. The modular dispersed storage of sulfur not only greatly increases the proportion of active sulfur,but also inhibits the occurrence of volume expansion. Meanwhile, 100% space utilization host material can greatly improve the co.ductivity of the cathode, provide a larger electrolyte wetting interface and effectively suppress the shuttle effect. Moreover, loaded co.alt particles have high catalytic activity for electrochemical reaction and can effectively improve the redox kinetics. The cell with new cathode host material carbonized at 650 ℃(ZIF-67(650 ℃)) exhibits superior rate performance and can maintain a high specific capacity of 950 m Ah/g after 100 cycles at 0.2 C, showing a good cycle stability.

关键词： Modularized sulfur storage Space utilization Cathode host material ZIF-67 Lithium-sulfur batteries

A strategy based on water soluble co.l tar pitches to co.struct MnO_(2)@C co.posite materials with high electrochemical performance

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Science China(Technological Sciences) 2024年第1期67卷 311-320页

作者： LIU Bo WANG Kun GUO ZhaoQi HAN BeiBei XU GuiYing JU DongYing AN BaiGang LI YongCheng NI ZhenYong ZHOU WeiMin Key Laboratory of Energy Materials and Electrochemistry Research Liaoning Province University of Science and Technology LiaoningAnshan 114051China Advanced Science Research Laboratory Saitama Institute of TechnologyFusaiji 1690Japan Liaoning Starry Sky Sodium battery co. Ltd.Anshan 114051China Sinosteel Anshan Research Institute of Thermo-Energy co. Ltd.Anshan 114051China State Key Laboratory of Marine Resource Utilization in South China Sea Hainan Provincial Key Lab of Fine ChemistrySchool of Chemical Engineering and TechnologyHainan UniversityHaikou 570228China Key Laboratory of Advanced Fuel Cells and Electrolyzers technology of Zhejiang Province Ningbo Institute of Materials Technology and EngineeringChinese Academy of SciencesNingbo 315201China

The water soluble co.l tar pitches(WS-CTPs)were successfully prepared and used to co.struct the MnO_(2)@C co.posite materials by a hydrothermal method.It is interestingly observed that the structures and morphologies of MnO_(2)@C materials can be co.trolled by co.trolling the dosages of WS-CTPs and KMnO4.Meanwhile,it is aware that MnO_(2)exists in the MnO_(2)@C materials in an amorphous state.co.pared with MnO_(2),MnO_(2)@C materials output a remarkable improvement in electrochemical performance.For instance,MnO_(2)@C-0.3 shows the storage capacity at 965.7 mA h g^(−1)after 300 cycles at a current density of 0.1 A g^(−1).In addition,after 600 cycles at a current density of 1.0 A g^(−1),the storage capacity of MnO_(2)@C-0.3 still keeps 450.3 mA h g^(−1),indicating that MnO_(2)@C-0.3 owns tremendous cycle stability at a high current density.In view of the fact that the co.l tar pitches possess great co.t advantages,the strategy of using WS-CTPs as a carbon source to co.er the metal oxides is a co.petitive way to expand the application of metal oxides in the fabrication of electrodes of LIBs.

关键词： water soluble co.l tar pitches MnO_(2) co.posite materials lithium ion batteries(LIBs) energy storage systems(ESSs) co.l tar pitches

Influence of calendering process on the structural mechanics and heat transfer characteristics of lithium-ion battery electrodes via DEM simulations

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Particuology 2024年第2期85卷 252-267页

作者： Junpeng Zhang Jingna Sun Huagui Huang Zhenge Yuan National Engineering Research Center for Equipment and technology of co.d Strip Rolling Yanshan UniversityQinhuangdao066004China Xingtai Naknor technology co. LtdXingtai054000China

Elucidating the intricate co.relation between calendering,structure,and performance is crucial to co.prehending the relationship between performance parameters and process steps of lithium-ion batteries(LIBs).Discrete element method(DEM)simulations were adopted in this work to calculate the interparticle force and stress tensor under incremental calendering process co.ditions,which revealed the effect of the anisotropy of co.plex co.tact force network on the anisotropy of heat transfer within porous electrode.The thermal co.ductivity of electrode was predicted using porosity to characterize the process-structure-performance co.relation.The co.prehensive influence of co.tact number and co.-tact area between particles and current co.lector determines the magnitude of interfacial thermal resistance and interfacial heat transfer co.fficient.For the first time,this work quantitatively analyzed the structural mechanics and heat transfer mechanism during calendering process of porous electrodes,and the results indicate a promising way to optimize and design battery electrode structures.

关键词： Li-ion battery electrode Structural mechanicsAnisotropy Thermal co.ductivity Discrete element method

A Multiscale Reliability-Based Design Optimization Method for Carbon-Fiber-Reinforced co.posite Drive Shafts

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co.puter Modeling in Engineering & Sciences 2024年第8期140卷 1975-1996页

作者： Huile Zhang Shikang Li Yurui Wu Pengpeng Zhi Wei Wang Zhonglai Wang Yangtze Delta Region Institute(Huzhou) University of Electronic Science and Technology of ChinaHuzhou313001China Huzhou Key Laboratory of Green Energy Materials and battery Cascade Utilization Huzhou CollegeHuzhou313000China SAIC Motor co.poration Limited Passenger Vehicle co. Shanghai201804China School ofMechanical and Electrical Engineering University of Electronic Science and Technology of ChinaChengdu611731China

Carbon fiber co.posites,characterized by their high specific strength and low weight,are beco.ing increasingly crucial in automotive lightweighting.However,current research primarily emphasizes layer co.nt and orientation,often neglecting the potential of microstructural design,co.straints in the layup process,and performance reliability.This study,therefore,introduces a multiscale reliability-based design optimization method for carbon fiber-reinforced plastic(CFRP)drive shafts.Initially,parametric modeling of the microscale cell was performed,and its elastic performance parameters were predicted using two homogenization methods,examining the impact of fluctuations in microscale cell parameters on co.posite material performance.A finite element model of the CFRP drive shaft was then co.structed,achieving parameter transfer between microscale and macroscale through Python programming.This enabled an investigation into the influence of both micro and macro design parameters on the CFRP drive shaft’s performance.The Multi-Objective Particle Swarm Optimization(MOPSO)algorithm was enhanced for particle generation and updating strategies,facilitating the resolution of multi-objective reliability optimization problems,including co.posite material layup process co.straints.Case studies demonstrated that this approach leads to over 30%weight reduction in CFRP drive shafts co.pared to metallic co.nterparts while satisfying reliability requirements and offering insights for the lightweight design of other vehicle co.ponents.

关键词： Multiscale reliability-based design optimization carbon-fabric-reinforced co.posite drive shaft