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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 ***-so lid-state batteries have attracted the attention of co.ntless researchers around the world because of their high safety and high energy *** recent times,halide solid-state electrolytes have beco.e a research hotspot within solid-state electrolytes because of their potentially superior *** 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 ***,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+) ***,higher ionic co.ductivities can be obtained by regulating the random distribution of Li^(+) *** Li^(+)-deficiency can also largely increase the ionic co.ductivity by invoking *** 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

Understanding the co.bustion behavior of electric bicycle batteries and unveiling its relationship with fire extinguishing

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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 *** research included quantitative measurements of the co.bustion duration,flame height,co.bustion temperature,heat release rate,and total heat *** 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 *** on these experimental results,a normalized total heat release(NORTHR)parameter was proposed,demonstrating good universality for batteries with different *** 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

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 ***,the significant volume expansion of silico. seriously hinders its utilization as a lithium-ion ***,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 *** plentiful polar carboxyl(-co.H) groups establish robust bonding *** 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 ***,the assembled SiO_x@PDMI-1.5/NCM811 full cell delivers a high retention of 80% after 100 *** 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

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 *** 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 ***,it is aware that MnO_(2)exists in the MnO_(2)@C materials in an amorphous *** with MnO_(2),MnO_(2)@C materials output a remarkable improvement in electrochemical *** 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 *** 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

A review of solid-state lithium metal batteries through in-situ solidification

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Science china Chemistry 2024年第1期67卷 67-86页

作者： Pan Xu Zong-Yao Shuang Chen-Zi Zhao Xue Li Li-Zhen Fan Aibing Chen Haoting Chen Elena Kuzmina Elena Karaseva Vladimir Kolosnitsyn Xiaoyuan Zeng Peng Dong Yingjie Zhang Mingpei Wang Qiang Zhang Beijing Key Laboratory of Green Chemical Reaction Engineering and Technology Department of Chemical EngineeringTsinghua UniversityBeijing 100084China National and Local Joint Engineering Laboratory for lithium-ion Batteries and Materials Preparation Technology Key Laboratory of Advanced Battery Materials of Yunnan ProvinceFaculty of Metallurgical and Energy EngineeringKunming University of Science and TechnologyKunming 650093China institute of Advanced Materials and Technology University of Science and Technology BeijingBeijing 100083China co.lege of Chemical and Pharmaceutical Engineering Hebei University of Science and TechnologyShijiazhuang 050018China Ordos Carbon Neutral research and Application co. Ltd.Ordos City 017010China Ufa institute of Chemistry UFRC RAS Ufa 450054Russia institute for Carbon Neutrality Tsinghua UniversityBeijing 100084China Shanxi research institute for Clean Energy Tsinghua UniversityTaiyuan 030032China

High-energy-density lithium metal batteries are the next-generation battery systems of choice,and replacing the flammable liquid electrolyte with a polymer solid-state electrolyte is a prominent co.duct towards realizing the goal of high-safety and high-specific-energy ***,the inherent intractable problems of poor solid-solid co.tacts between the electrode/electrolyte and the growth of Li dendrites hinder their practical *** in-situ solidification has demonstrated a variety of advantages in the application of polymer electrolytes and artificial interphase,including the design of integrated polymer electrolytes and asymmetric polymer electrolytes to enhance the co.patibility of solid–solid co.tact and co.patibility between various electrolytes,and the co.struction of artificial interphase between the Li anode and cathode to suppress the formation of Li dendrites and to enhance the high-voltage stability of polymer *** review firstly elaborates the history of in-situ solidification for solid-state batteries,and then focuses on the synthetic methods of solidified ***,the recent progress of in-situ solidification technology from both the design of polymer electrolytes and the co.struction of artificial interphase is summarized,and the importance of in-situ solidification technology in enhancing safety is ***,prospects,emerging challenges,and practical applications of in-situ solidification are envisioned.

关键词： in-situ solidification polymer electrolyte artificial solid electrolyte interphase rechargeable lithium metal batteries dendrite-free lithium metal anode

Re-evaluating the nano-sized inorganic protective layer on Cu current co.lector for anode free lithium metal batteries

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Chinese Chemical Letters 2024年第7期35卷 452-455页

作者： Shuo Zhang Haitao Liao Zhi-Qun Liu Chong Yan Jia-Qi Huang School of Materials Science&Engineering Beijing Institute of TechnologyBeijing 100081China Advanced research institute of Multidisciplinary Science Beijing Institute of TechnologyBeijing 100081China Wuxi Yiwen Microelectronics Technology co. Ltd.Wuxi 214000China Shanxi research institute for Clean Energy Tsinghua UniversityTaiyuan 030032China

Anode free lithium metal batteries(AF-LMBs)have co.spicuous advantages both in energy density and the co.patibility of battery manufacturing ***,the limited cycle life of AF-LMBs is a crucial factor hindering its practical *** or nitride artificial inorganic solid electrolyte interphase(SEI)has been found as an effective method to prolong the lifespan of ***,by investigating the impact of nano-sized inorganic gradient layers(LiF or Li3N)on initial Li deposition behavior,we notice that the Li^(+) diffusion barrier and the deposition morphology are highly depended on the thickness of inorganic *** protective layers cause larger overpotential as well as more aggregated Li^(+) *** study reveals that the ideal SEI should be synthesized thin and uniformly enough and unco.trollable artificial SEI can cause damage to the lifespan of AF-LMBs.

关键词： Anode free lithium metal battery Solid electrolyte interphase Nano-sized protective layer lithium fluoride Li deposition behavior

Boosting rate performance of layered lithium-rich cathode materials by oxygen vacancy induced surface multico.ponent integration

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Journal of Energy Chemistry 2024年第5期92卷 250-262页

作者： Youyou Fang Yuefeng Su Jinyang Dong Jiayu Zhao Haoyu Wang Yun Lu Bin Zhang Hua Yan Feng Wu Lai Chen Beijing Key Laboratory of Environmental Science and Engineering School of Material Science and EngineeringBeijing Institute of TechnologyBeijing 100081China Chongqing Innovation Center Beijing Institute of TechnologyChongqing 401120China Yibin Libode New Materials co. Ltd.Yibin 64400SichuanChina School of Metallurgy and Environment Central South UniversityChangsha 410083HunanChina Engineering research Center of the Ministry of Education for Advanced battery Materials Central South UniversityChangsha 410083HunanChina

The rapid development of electric vehicles and portable energy storage systems demands improvements in the energy density and co.t-effectiveness of lithium-ion batteries,a domain in which lithium-rich layered cathode(LLO)materials inherently ***,these materials face practical challenges,such as low initial co.lombic efficiency,inferior cycle/rate performance,and voltage decline during cycling,which limit practical *** study introduces a surface multi-co.ponent integration strategy that inco.porates oxygen vacancies into the pristine LLO material Li1.2Mn_(0.6)Ni_(0.2)O_(2).This process involves a brief citric acid treatment followed by calcination,aiming to explore rate-dependent degradation *** induced surface oxygen vacancies can reduce surface oxygen partial pressure and diminish the generation of O_(2)and other highly reactive oxygen species on the surface,thereby facilitating the activation of Li ions trapped in tetrahedral sites while overco.ing transport ***,the formation of a spinel-like phase with 3D Li+diffusion channels significantly improves Li^(+)diffusion kinetics and stabilizes the surface *** optimally modified sample boasts a discharge capacity of 299.5 mA h g^(-1)at a 0.1 C and 251.6 mA h g^(-1)at a 1 C during the initial activation cycle,with an impressive capacity of 222.1 mA h g^(-1)at a 5 *** notably,it retained nearly 70%of its capacity after 300 cycles at this elevated *** straightforward,effective,and highly viable modification strategy provides a crucial resolution for overco.ing challenges associated with LLO materials,making them more suitable for practical application.

关键词： lithium-ion battery Layered lithium rich cathode Surface multico.ponent integration Rate-dependent degradation and Li^(+) diffusion kinetics

Residual alkali-evoked cross-linked polymer layer for anti-air-sensitivity LiNi_(0.89)co.(0.06)Mn_(0.05)O_(2)cathode

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Journal of Energy Chemistry 2024年第5期92卷 450-458页

作者： Chao Zhao Xuebao Li Yun Zhao Jingjing He Yuanpeng Cao Wei Luo Ding Wang Jianguo Duan Xianshu Wang Baohua Li National and Local Joint Engineering research Center of lithium-ion Batteries and Materials Preparation Technology Key Laboratory of Advanced Battery Materials of Yunnan ProvinceFaculty of Metallurgical and Energy EngineeringKunming University of Science and TechnologyKunming 650093YunnanChina School of Materials Science and Engineering Central South UniversityChangsha 410083HunanChina institute of Materials research Tsinghua Shenzhen International Graduate SchoolTsinghua UniversityShenzhen 518055Guangdong China City co.lege Kunming University of Science and TechnologyKunming 650051YunnanChina

High-energy density lithium-ion batteries(LIBs)with layered high-nickel oxide cathodes(LiNi_(x)co.(y)Mn_(1-x-y)O_(2),x≥0.8)show great promise in co.sumer electronics and vehicular ***,LiNi_(x)co.(y)Mn_(1-x-y)O_(2)faces challenges related to capacity decay caused by residual alkalis owing to high sensitivity to *** address this issue,we propose a hazardous substances upcycling method that fundamentally mitigates alkali co.tent and co.currently induces the emergence of an anti-air-sensitive layer on the cathode *** the neutralization of polyacrylic acid(PAA)with residual alkalis and then co.pling it with 3-aminopropyl triethoxysilane(KH550),a stable and ion-co.ductive cross-linked polymer layer is in situ integrated into the LiNi_(0.89)co.(0.06)Mn_(0.05)O_(2)(NCM)*** characterization and measurements demonstrate its *** NCM material exhibits impressive cycling performance,retaining 88.4%of its capacity after 200 cycles at 5 C and achieving an extraordinary specific capacity of 170.0 mA h g^(-1) at 10 ***,this layer on the NCM efficiently suppresses unfavorable phase transitions,severe electrolyte degradation,and co.(2)gas evolution,while maintaining co.mendable resistance to air *** surface modification strategy shows widespread potential for creating air-stable LiNi_(x)co.(y)Mn_(1-x-y)O_(2)cathodes,thereby advancing high-performance LIBs.

关键词： lithium-ion batteries Nickel-rich layered cathode Residual alkalis Cross-linked polyme rmodification Airsensitivity

Machine learning and neural network supported state of health simulation and forecasting model for lithium-ion battery

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Frontiers in Energy 2024年第2期18卷 223-240页

作者： Nan QI Kang YAN Yajuan YU Rui LI Rong HUANG Lai CHEN Yuefeng SU Beijing institute of Technology Chongqing Innovation Center Chongqing 401120China Department of Energy and Environmental Materials School of Materials Science and EngineeringBeijing Institute of TechnologyBeijing 100081China Beijing Electric Vehicle co. Ltd.Beijing 100176China

As the intersection of disciplines deepens,the field of battery modeling is increasingly employing various artificial intelligence(AI)approaches to improve the efficiency of battery management and enhance the stability and reliability of battery *** paper reviews the value of AI methods in lithium-ion battery health management and in particular analyses the application of machine learning(ML),one of the many branches of AI,to lithium-ion battery state of health(SOH),focusing on the advantages and strengths of neural network(NN)methods in ML for lithium-ion battery SOH simulation and *** is one of the important branches of ML,in which the application of NNs such as backpropagation NN,co.volutional NN,and long short-term memory NN in SOH estimation of lithium-ion batteries has received wide *** so far have shown that the utilization of NN to model the SOH of lithium-ion batteries has the advantages of high efficiency,low energy co.sumption,high robustness,and scalable *** the future,NN can make a greater co.tribution to lithium-ion battery management by,first,utilizing more field data to play a more practical role in health feature screening and model building,and seco.d,by enhancing the intelligent screening and co.bination of battery parameters to characterize the actual lithium-ion battery SOH to a greater *** in-depth application of NN in lithium-ion battery SOH will certainly further enhance the science,reliability,stability,and robustness of lithium-ion battery management.

关键词： machine learning lithium-ion battery state of health neural network artificial intelligence