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Theoretical and experimental design in the study of sulfide-based solid-state battery and interfaces

Chinese Chemical Letters 2024年第2期35卷 242-251页

作者： Hongjie Xu Yujie Su Chenggong Zheng Yuchen Wang Yuping Tong Zhongzheng Yang Junhua Hu School of Materials Science and Engineering North China University of Water Resources and Electric PowerZhengzhou 450046China School of Materials Science and Engineering Zhengzhou UniversityZhengzhou 450001China Henan Titanium Based Advanced Materials Industrial Research Institute Jiaozuo 454191China

In recent years,due to the increasing demand for portable electronic devices,rechargeable solid-state battery technology has developed ***-ion batteries are the systems of choice,offering high energy density,flexible and lightweight design,and longer lifespan than comparable battery ***,a better understanding of the relationship between electrochemical mechanism and structural properties from theory and experiment will enable us to accelerate the development of high-performance and security *** review discusses the interplay between theoretical calculation and experiment in the study of lithium ion battery *** introduce the application of theoretical calculation method in solid-state batteries through the combination of theory and *** present the concept and assembly technology of solid-state batteries are *** basic parameters of solid-state electrolytes,especially sulfide-based solid-state electrolytes and their interface mechanisms with high-voltage cathode materials,are analyzed by theoretical *** present an overview on the scientific challenges,fundamental mechanisms,and design strategies for solid-state batteries,especially focusing on the issues of stability on solid-state electrolytes and the associated interfaces with both cathode and *** to the theoretical models,we can not only reveal the unprecedented mechanism from the atomic scale,but also analyze the interface problems in the battery thoroughly,thus effectively designing more promising electrolyte and interface coating *** blazed a new trial for engineering an interphase with improved interfacial compatibility for a long-term cyclability.

关键词： Theoretical simulation Sulfide-based electrolytes all solid-state battery Cathode-electrolyte interface Interface compatibility

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Nanophase separated,grafted alternate copolymer styrene-maleic anhydride as an efficient room temperature solid state lithium ion conductor

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Chinese Chemical Letters 2024年第7期35卷 491-496页

作者： Qian Wang Ting Gao Xiwen Lu Hangchao Wang Minggui Xu Longtao Ren Zheng Chang Wen Liu Institute of Science and Technology China Three Gorges CorporationBeijing 100038China state Key Laboratory of Chemical Resource Engineering Beijing Advanced Innovation Center for Soft Matter Science and EngineeringCollege of ChemistryBeijing University of Chemical TechnologyBeijing 100029China

all solid-state lithium metal batteries(ASSLMBs)based on polymer solid electrolyte and lithium metal anode have attracted much attention due to their high energy density and intrinsic ***,the low ionic conductivity at room temperature and poor mechanical properties of the solid polymer electrolyte result in increased polarization and poor cycling stability of the Li metal *** order to improve the ionic conductivity at room temperature while maintaining mechanical strength,we combine the conductivity of short chain polyethylene oxide(PEO)and strength of styrene-maleic anhydride copolymer(SMA)to obtain a grafted block copolymer with nanophase separation structure,which has room temperature ionic conductivity up to 1.14×10^(-4)S/cm and tensile strength up to 1.4 ***||Li symmetric cell can work stably for more than 1500 h under the condition of 0.1 mA/cm^(2).Li||LiFePO_(4)full cells can deliver a high capacity of 151.4 mAh/g at 25℃and 0.2 C/0.2 C charge/discharge conditions,showing 85.6%capacity retention after 400 ***,the all solid state Li||LiFePO_(4)pouch cell shows excellent safety performance under different abuse *** results demonstrate that the nanophase separated,grafted alternate copolymer electrolyte has huge potential for application in Li metal batteries.

关键词： solid polymer electrolyte all solid-state battery Li metal battery Copolymers Nanophase separation

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3D porous PTFE membrane filled with PEO-based electrolyte for all solid-state lithium-sulfur batteries

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Rare Metals 2022年第8期41卷 2834-2843页

作者： Zhen-Chao Li Teng-Yu Li Yi-Rui Deng Wen-Hao Tang Xiao-Dong Wang Jin-Lin Yang Qiang Liu Lei Zhang Qiang Wang Rui-Ping Liu Department of Materials Science and Engineering China University of Mining&Technology(Beijing)Beijing100083China School of Materials Science and Engineering Tsinghua UniversityBeijing100083China Department of Mechanical Engineering University of Alaska FairbanksPO Box 755905FairbanksAK99775USA Chongqing Key Laboratory of Green Aviation Energy and Power Chongqing Jiaotong UniversityChongqing401135China

Owing to the low cost and high theoretical energy density,lithium-sulfur battery has become one of the most promising energy storage battery ***,the inherent cycle instability and safety problems of traditional liquid lithium-sulfur batteries greatly limit their commercial *** this work,polytetrafluoroethylene(PTFE)membrane was introduced into Li_(7)La_(3)Zr_(2)O_(12)(LLZO)@poly(ethylene oxide)(PEO)-based composite electrolyte as a supporting framework to prepare a new PTFE@LLZO@PEO composite electrolyte for lithium-sulfur *** introduction of PTFE membrane further improved the mechanical properties and thermal stability of the *** ionic conductivity of the prepared PTFE@LLZO@PEO solid electrolyte was5.03×10^(-5)S·cm^(-1)at 30℃and 2.54×10^(-4)S·cm^(-1)at60℃.Moreover,the symmetric battery exhibited high cycle stability(300 h).The Li-S battery based on PTFE@LLZO@PEO electrolyte exhibited excellent electrochemical performance.

关键词： Lithium-sulfur battery all solid-state battery Composite electrolyte Shuttle effect Lithium dendrite

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Bacterial Cellulose Composite solid Polymer Electrolyte With High Tensile Strength and Lithium Dendrite Inhibition for Long Life battery

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Energy & Environmental Materials 2021年第3期4卷 434-443页

作者： Yuhan Li Zongjie Sun Dongyu Liu Shiyao Lu Fei Li Guoxin Gao Min Zhu Mingtao Li Yanfeng Zhang Huaitian Bu Zhiyu Jia Shujiang Ding Department of Applied Chemistry School of ChemistryXi’an Key Laboratory of Sustainable Energy Materials ChemistryMOE Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed MatterState Key Laboratory of Electrical Insulation and Power EquipmentXi’an Jiaotong UniversityXi’an 710049China International Research Center for Renewable Energy State Key Laboratory of Multiphase Flow in Power EngineeringXi’an Jiaotong UniversityXi’an 710049China Department of Materials and Nanotechnology SINTEF IndustryForskningsveien 1Oslo 0373Norway School of Chemistry and Chemical Engineering MOE Key Laboratory of Cluster ScienceBeijing Institute of TechnologyBeijing 100081China

The development of metallic lithium anode is restrained by lithium dendrite growth during *** solid polymer electrolyte with high mechanical strength and lithium ion conductivity could be applied to inhibit lithium dendrite *** prepare the high-performance solid polymer electrolyte,the environment-friendly and cheap bacterial cellulose(BC)is used as filler incorporating with PEO-based electrolyte owing to good mechanical properties and Li salts ***/Li TFSI/BC composite solid polymer electrolytes(CSPE)are prepared easily by aqueous mixing in *** lithium ion transference number of PEO/Li TFSI/BC CSPE is 0.57,which is higher than PEO/Li TFSI solid polymer electrolyte(SPE)(0.409).The PEO/Li TFSI/BC CSPE exhibits larger tensile strength(4.43 MPa)than PEO/Li TFSI SPE(1.34 MPa).The electrochemical window of composite electrolyte is widened 1.43 V by adding *** functional theory calculations indicate that flex of PEO chains around Li atoms is suppressed,suggesting the enhanced lithium ion *** molecular orbitals results suggest that an unfavorable intermolecular charge transfer lead to achieve higher potential for BC composite *** solid-state Li metal battery with PEO/Li TFSI/BC CSPE delivers longer cycle life for 600 cycles than PEO/Li TFSI SPE battery(50 cycles).Li symmetrical battery using PEO/Li TFSI/BC CSPE could be stable for 1160 h.

关键词： all solid-state battery bacterial cellulose composite polymer electrolyte DFT calculations HOMO and LUMO

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