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Artificial intelligence for the understanding of electrolyte chemistry and electrode interface in lithium battery

National Science Open 2024年第2期3卷 74-97页

作者： Yawei Chen Yue Liu Zixu He Liang Xu Peiping Yu Qintao Sun Wanxia Li Yulin Jie Ruiguo Cao Tao Cheng Shuhong Jiao Hefei National Laboratory for Physical Science at Microscale CAS Key Laboratory of Materials for Energy ConversionDepartment of Materials Science and EngineeringUniversity of Science and Technology of ChinaHefei 230026China Institute of Functional Nano&Soft Materials(FUNSOM) Jiangsu Key Laboratory for Carbon-Based Functional Materials&DevicesJoint International Research Laboratory of Carbon-Based Functional Materials and DevicesSoochow UniversitySuzhou 215123China Jiangsu Key Laboratory of Advanced Negative Carbon Technologies Soochow UniversitySuzhou 215123China

Recognizing the critical role of electrolyte chemistry and electrode interfaces in the performance and safety of lithium batteries,along with the urgent need for more sophisticated methods of analysis,this comprehensive review underscores the promise of machine learning(ML)models in this research *** explores the application of these innovative methods to studying battery interfaces,particularly focusing on lithium metal *** the limitations of traditional experimental techniques,the review supports a hybrid approach that couples experimental and simulation methods,enabling granular insights into the formation process and characteristics of battery interfaces at the molecular level and harnessing AI to extract patterns from voluminous data *** showcases the utility of such techniques in electrolyte design and battery life prediction and introduces a novel perspective on battery interface *** review concludes by asserting the potential of artificial intelligence(AI)or ML models as invaluable tools in the future of battery research and highlights the importance of fostering confidence in these technologies within the scientific community.

关键词： lithium batteries battery interfaces artificial intelligence machine learning electrolyte chemistry

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Understanding electrolyte salt chemistry for advanced potassium storage performances of transition-metal sulfides

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Carbon Energy 2022年第3期4卷 332-345页

作者： Guangyao Ma Yingying Wang Jinmei Song Kepeng Song Nana Wang Jian Yang Yitai Qian Key Laboratory of Colloid and Interface chemistry Ministry of EducationSchool of Chemistry and Chemical EngineeringShandong UniversityJinanChina Department of Health Management Shandong Vocational College of Light IndustryZiboChina Institute for Superconducting and Electronic Materials University of Wollongong Innovation CampusInnovation CampusWollongongNew South WalesAustralia

Molybdenum disulfide/carbon nanotubes assembled by ultrathin nanosheets are synthesized to illustrate the electrolyte salt chemistry via potassium bis-(fluorosulfonyl)imide(KFSI)versus potassium hexafluorophosphate(KPF6).Compared to the case of KPF6,the electrochemical performances using KFSI as the electrolyte salt are greatly improved:~275 mAh g^(−1) after 15,000 cycles at 1 A g^(−1),or~172 mAh g^(−1) even at 40 A g^(−1).These results represent one of the best performances for the reported anode *** enhanced performances could be attributed to the FSI-induced changes in the solvate structures,that is,a large solvation energy,a high lowest unoccupied mole cular orbital,and a small bonding dissociation energy of *** this case,a uniform and robust solid-electrolyte interphase(SEI)is produced,improving the mechanical properties and the interface ***,the uncontrollable fracture and repeated growth of SEI,which always lead to the dissolution of sulfur species and the blockage of charge transfer in the case of KPF6,are well *** similar enhancement works for other sulfides by KFSI,demonstrating the general importance of this electrolyte salt chemistry.

关键词： anode materials electrolyte chemistry MoS_(2) potassium-ion batteries

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Structurally tunable characteristics of ionic liquids for optimizing lithium plating/stripping via electrolyte engineering

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Journal of Energy chemistry 2021年第12期30卷 270-277,I0006页

作者： Shihan Qi Jiandong Liu Jian He Huaping Wang Mingguang Wu Daxiong Wu Junda Huang Fang Li Xin Li Yurong Ren Jianmin Ma School of Physics and Electronics Hunan UniversityChangsha 410082HunanChina School of Materials Science and Engineering Jiangsu Collaborative Innovation Center of Photovoltaic Science and EngineeringChangzhou UniversityChangzhou 213164JiangsuChina

electrolyte chemistry offers the opportunity to regulate the solid electrolyte interphase(SEI) and Li^(+)solvation,which is considered to be crucial to the growth of lithium crystals for safe lithium metal batteries(LMBs).Structurally tunable characteristics of ionic liquids(ILs) from anion type,cationic substituent chain length and cationic substituents,will contribute this ***,we explore the influence mechanism of imidazole-based ILs as electrolyte additives on Li+solvation and the formation of *** can participate into the formation of efficient SEI,together with cathode electrolyte interphase(CEI).Moreover,ILs can also regulate the sheath structure of Li^(+)solvation,to fasten the kinetics of ***,the imidazole-based cations with long alkyl chain can form an electrostatic shield around newly formed Li nucleus,and suppress further Li plating at this *** the optimized condition,the 1-octyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide([OMIm]TFSI) additive shows the best ability to enhance the electrochemical performance,endowing the Li||Li symmetric cell with a stable life(over800 h) at 0.5 mA cm^(-2) and the Li||LiNi_(0.6)Mn_(0.2)Co_(0.2)O_(2)(NMC622) full cell with a high capacity of 141.7 mAh g^(-1) after 200 cycles at 0.5 C.

关键词： electrolyte chemistry Ionic liquids Solvation structure Lithium anode Solid electrolyte interphase

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3D Foam-Based MXene Architectures:Structural and Electrolytic Engineering for Advanced Potassium-Ion Storage

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Energy & Environmental Materials 2024年第4期7卷 64-73页

作者： Peng Zhang Yanmeng Peng Qizhen Zhu Razium Ali Soomro Ning Sun Bin Xu State Key Laboratory of Organic-Inorganic Composites Beijing Key Laboratory of Electrochemical Process and Technology for MaterialsBeijing University of Chemical TechnologyBeijing 100029China Beijing Advanced Innovation Centre for Soft Matter Science and Engineering Beijing University of Chemical TechnologyBeijing 100029China

MXenes are emerging rapidly as promising electrode materials for energy storage due to their high electronic conductivity and rich surface chemistry,but their potassium storage performance is unsatisfactory because of the large size of K^(+)and irreversible interfacial ***,a developed 3D foam-like MXene scaffold(3D-FMS)is constructed via an electrostatic neutralization of Ti_(3)C_(2)T_(x)with positive-charged melamine followed with calcination,which offers massive surface-active sites and facilitates fast K^(+)transfer for boosting the potassium-ion storage capacity and *** addition,using KFSI-based electrolyte,the formation of a robust solid electrolyte interface layer with more inorganic components on MXene anode is revealed for enhancing the Coulombic ***,the 3DFMS with KFSI-based electrolyte delivers enhanced potassium-ion storage performance in terms of capacity(161.4 mAh g^(-1)at 30 mA g^(-1)),rate capability(70 mAh g^(-1)at 2 A g^(-1)),and cycling stability(80.5 mAh g^(-1)at 1 A g^(-1)after 2000 cycles).Moreover,the assembled 3D-FMS//activated carbon potassium-ion hybrid supercapacitor delivers a high energy density of 57 Wh kg^(-1)at a power density of 290 W kg^(-1).These excellent performances demonstrate the great superiority of 3D-FMS in KFSI-based electrolyte and may accelerate the development of MXene-based materials for potassium storage systems.

关键词： 3D foam-like scaffold electrolyte chemistry electrostatic neutralization MXene potassium-ion batteries

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