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Machine learning of materials design and state prediction for lithium ion batteries

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Chinese Journal of Chemical Engineering 2021年第9期34卷 1-11页

作者： Jiale Mao Jiazhi Miao yingying lu Zheming Tong State Key Laboratory of Chemical Engineering Institute of Pharmaceutical EngineeringCollege of Chemical and Biological EngineeringZhejiang UniversityHangzhou 310027China State Key Laboratory of Fluid Power and Mechatronic Systems School of Mechanical EngineeringZhejiang UniversityHangzhou 310027China

With the widespread use of lithium ion batteries in portable electronics and electric vehicles,further improvements in the performance of lithium ion battery materials and accurate prediction of battery state are of increasing interest to battery *** learning,one of the core technologies of artificial intelligence,is rapidly changing many fields with its ability to learn from historical data and solve complex tasks,and it has emerged as a new technique for solving current research problems in the field of lithium ion *** review begins with the introduction of the conceptual framework of machine learning and the general process of its application,then reviews some of the progress made by machine learning in both improving battery materials design and accurate prediction of battery state,and finally points out the current application problems of machine learning and future research *** is believed that the use of machine learning will further promote the large-scale application and improvement of lithium-ion batteries.

关键词： Lithium ion batteries Machine learning Materials design State prediction

Covalent Organic Frameworks Based Single-site Electrocatalysts for Oxygen Reduction Reaction

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Chemical Research in Chinese Universities 2022年第5期38卷 1151-1162页

作者： BU Ran lu yingying ZHANG Bing State Key Laboratory of Chemical Engineering Institute of Pharmaceutical EngineeringCollege of Chemical and Biological EngineeringZhejiang UniversityHangzhou 310027P.R.China ZJU-Hangzhou Global Scientific and Technological Innovation Center Hangzhou 311200P.R.China

Single site catalysts(SSCs)are a new type of heterogeneous catalysts formed by isolated metal atoms supported on kinds of *** have shown great potential for energy conversion and storage in recent years,especially for oxygen reduction reactions(ORR).Typically,SSCs are confined on the substrate by strong chemical interactions,such as coordination ***,the surface chemical environment and porous properties of the supports are crucial to the performance of *** recent years,COFs have become excellent candidates for preparing SSCs as they can precisely assemble monomers into highly ordered crystalline porous materials with a fine structure and definite *** this review,we not only summarize the characteristics and advantages of COFs based SSCs,but also highlight the applications of COFs constructed from different single active sites for ORR in recent ***,challenges in practical application,feasible strategies and perspectives are proposed for the of COFs based SSCs.

关键词： Covalent organic framework Oxygen reduction reaction Single site catalyst Energy conversion Carbon-based catalyst

Recent advances in hybrid water electrolysis for energy-saving hydrogen production

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Green Chemical Engineering 2023年第1期4卷 17-29页

作者： Di Li Jibing Tu yingying lu Bing Zhang State Key Laboratory of Chemical Engineering Institute of Pharmaceutical EngineeringCollege of Chemical and Biological EngineeringZhejiang UniversityHangzhou310027China ZJU-Hangzhou Global Scientific and Technological Innovation Center Hangzhou311215China

Electricity-driven water splitting to convert water into hydrogen(H_(2)has been widely regarded as an efficient approach for H_(2)***,the energy conversion efficiency of it is greatly limited due to the disadvantage of the sluggish kinetic of oxidation evolution reaction(OER).To effectively address the issue,a novel concept of hybrid water electrolysis has been developed for energy–saving H_(2)*** strategy aims to replace the sluggish kinetics of OER by utilizing thermodynamically favorable organics oxidation reaction to replace ***,recent advances in such water splitting system for boosting H_(2)evolution under low cell voltage are systematically *** notable progress of different organics oxidation reactions coupled with hydrogen evolution reaction(HER)are discussed in *** facilitate the development of hybrid water electrolysis,the major challenges and perspectives are also proposed.

关键词： Hydrogen evolution reaction Hybrid water electrolysis Electrocatalytic oxidation Organic electro-oxidation High-value products

Realizing high-performance all-solid-state batteries with sulfide solid electrolyte and silicon anode:A review

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Nano Research 2023年第3期16卷 3741-3765页

作者： Xinyang Wang Kuang He Siyuan Li Jiahui Zhang yingying lu State Key Laboratory of Chemical Engineering Institute of Pharmaceutical EngineeringCollege of Chemical and Biological EngineeringZhejiang UniversityHangzhou 310027China ZJU-Hangzhou Global Scientific and Technological Innovation Center Hangzhou 311215China Zhejiang Yongtai Technology Co. Ltd.Taizhou 317000China

Sulfide solid electrolyte(SE)is one of the most promising technologies for all-solid-state batteries(ASSBs)because of its high ionic conductivity and ductile mechanical *** order to further improve the energy density of sulfide-based ASSBs and promote practical applications,silicon anodes with ultrahigh theoretical capacity(4,200 mAh·g^(−1))and rich resource abundance have broad commercial ***,significant challenges including bulk instability of sulfide SEs and poor utilization of silicon materials have severely impeded the ASSBs from becoming *** this review,we first introduce the critical bulk properties of sulfide SEs and the most recent improving strategies covering the ionic conductivity,air stability,electrochemical window,mechanical stability,thermostability and solvent ***,we introduce the main factors affecting the compatibility of silicon and sulfide SE,including the carbon’s effect,particle size of silicon,external pressure,silicon composite matrix and the depth of silicon’s ***,we discuss possible research directions in the *** hope that this review can provide a comprehensive picture of the role of nanoscale approaches in recent advances in ASSBs with sulfide and silicon,as well as a source of inspiration for future research.

关键词： all-solid-state battery sulfide solid electrolyte silicon anode nanoscale optimization

Progress in electrolytes for rechargeable Li-based batteries and beyond

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Green Energy & Environment 2016年第1期1卷 18-42页

作者： Qi Li Juner Chen Lei Fan Xueqian Kong yingying lu College of Chemical and Biological Engineering Zhejiang University Department of Chemistry Zhejiang University State Key Laboratory of Chemical Engineering Zhejiang University

Owing to almost unmatched volumetric energy density, Li-based batteries have dominated the portable electronic industry for the past 20 years. Not only will that continue, but they are also now powering plug-in hybrid electric vehicles and zero-emission vehicles. There is impressive progress in the exploration of electrode materials for lithium-based batteries because the electrodes(mainly the cathode) are the limiting factors in terms of overall capacity inside a battery. However, more and more interests have been focused on the electrolytes, which determines the current(power) density, the time stability, the reliability of a battery and the formation of solid electrolyte interface. This review will introduce five types of electrolytes for room temperature Li-based batteries including 1) non-aqueous electrolytes, 2) aqueous solutions, 3)ionic liquids, 4) polymer electrolytes, and 5) hybrid electrolytes. Besides, electrolytes beyond lithium-based systems such as sodium-, magnesium-, calcium-, zinc-and aluminum-based batteries will also be briefly discussed.

关键词： Electrolyte Ionic liquid Polymer Hybrid Battery

Fabrication of metal-organic framework-based nanofibrous separator via one-pot electrospinning strategy

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Nano Research 2021年第5期14卷 1465-1470页

作者： Congcong Chen Weidong Zhang He Zhu Bo-Geng Li yingying lu Shiping Zhu State Key Lab of Chemical Engineering College of Chemical and Biological EngineeringZhejiang UniversityHangzhou310027China Institute of Pharmaceutical Engineering College of Chemical and Biological EngineeringZhejiang UniversityHangzhou310027China School of Science and Engineering The Chinese University of Hong KongShenzhenShenzhen518172China Department of Chemical Engineering McMaster UniversityHamiltonOntarioL8S 4L7Canada

Metal-organic framework(MOF)/polymer composites have attracted extensive attention in the recent ***,it still remains challenging to efficiently and effectively fabricate these composite *** this study,we propose a facile one-pot electrospinning strategy for preparation of HKUST-1/polyacrylonitrile(PAN)nanofibrous membranes from a homogeneous stock solution containing HKUST-1 precursors and *** crystallization and polymer solidification occur simultaneously during the electrospinning process,thus avoiding the issues of aggregation and troublesome multistep fabrication of the conventional *** obtained HKUST-1/PAN electrospun membranes show uniform MOF distribution throughout the nanofibers and yield good mechanical *** membranes are used as separators in Li-metal full batteries under harsh testing conditions,using an ultrathin Li-metal anode,a high mass loading cathode,and the HKUST-1/PAN nanofibrous *** results demonstrate significantly improved cycling performance(capacity retention of 83.1%after 200 cycles)under a low negative to positive capacity ratio(N/P ratio of 1.86).The improvement can be attributed to an enhanced wettability of the separator towards electrolyte stemmed from the nanofibrous structure,and a uniform lithium ion flux stabilized by the open metal sites of uniformly distributed HKUST-1 particles in the membrane during cycling.

关键词： one-pot electrospinning strategy metal-organic framework composite nanofibrous membrane battery separator

Designing safer lithium-based batteries with nonflammable electrolytes:A review

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eScience 2021年第2期1卷 163-177页

作者： Shichao Zhang Siyuan Li yingying lu State Key Laboratory of Chemical Engineering Institute of Pharmaceutical EngineeringCollege of Chemical and Biological EngineeringZhejiang UniversityHangzhou310027China ZJU-Hangzhou Global Scientific and Technological Innovation Center Hangzhou311215China

Lithium-based batteries have had a profound impact on modern society through their extensive use in portable electronic devices,electric vehicles,and energy storage ***,battery safety issues such as thermal runaway,fire,and explosion hinder their practical application,especially for using metal *** problems are closely related to the high flammability of conventional electrolytes and have prompted the study of flameretardant and nonflammable ***,we review the recent research on nonflammable electrolytes used in lithium-based batteries,including phosphates,fluorides,fluorinated phosphazenes,ionic liquids,deep eutectic solvents,aqueous electrolytes,and solid-state *** flame-retardant mechanisms and efficiency are discussed,as well as their influence on cell electrochemical *** conclude with a summary of future prospects for the design of nonflammable electrolytes and the construction of safer lithium-based batteries.

关键词： Nonflammable electrolyte Flame retardants Lithium-based battery Safety

Ultrafast battery heat dissipation enabled by highly ordered and interconnected hexagonal boron nitride thermal conductive composites

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Green Energy & Environment 2022年第6期7卷 1401-1410页

作者： Zhuoya Wang Kaihang Zhang Bing Zhang Zheming Tong Shulan Mao Hao Bai yingying lu State Key Laboratory of Chemical Engineering Institute of Pharmaceutical EngineeringCollege of Chemical and Biological EngineeringZhejiang UniversityHangzhou310027China Brook Byers Institute of Sustainable Systems and School of Civil and Environmental Engineering Georgia Institute of TechnologyAtlantaGA30332USA ZJU-Hangzhou Global Scientific and Technological Innovation Center Zhejiang UniversityHangzhou311200China State Key Laboratory of Fluid Power and Mechatronic Systems College of Mechanical EngineeringZhejiang UniversityHangzhou310027China

Heat dissipation involved safety issues are crucial for industrial applications of the high-energy density battery and fast charging *** traditional air or liquid cooling methods suffering from space limitation and possible leakage of electricity during charge process,emerging phase change materials as solid cooling media are of growing *** them,paraffin wax(PW)with large latent heat capacity and low cost is desirable for heat dissipation and thermal management which mainly hindered by their relatively low thermal conductivity and susceptibility to ***,highly ordered and interconnected hexagonal boron nitride(h-BN)networks were established via ice template method and introduced into PW to enhance the thermal *** composite with 20 wt%loading amount of h-BN can guarantee a highly ordered network and exhibited high thermal conductivity(1.86 W m^(-1) K^(-1))which was 4 times larger compared with that of random dispersed h-BN involved PW and nearly 8 times larger compared with that of bare *** optimal thermal conductive composites demonstrated ultrafast heat dissipation as well as leakage resistance for lithium-ion batteries(LIBs),heat generated by LIBs can be effectively transferred under the working state and the surface temperature kept 6.9℃ lower at most under 2–5℃ continuous charge-discharge process compared with that of bare one which illustrated great potential for industrial thermal management.

关键词： Hexagonal boron nitride Paraffin wax Lithium-ion batteries Thermal conductive network Battery heat dissipation

Regulation of aqueous electrolyte interface via electrolyte strategies for uniform zinc deposition

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Nano Research 2024年第10期17卷 8678-8693页

作者： Wei Zhong Chaoqiang Tan Laixi Li Shichao Zhang Xinyang Wang Hao Cheng yingying lu Institute of Wenzhou Zhejiang UniversityWenzhou 325006China State Key Laboratory of Chemical Engineering Institute of Pharmaceutical EngineeringCollege of Chemical and Biological EngineeringZhejiang UniversityHangzhou 310027China ZJU-Hangzhou Global Scientific and Technological Innovation Center Zhejiang UniversityHangzhou 311215China Zhejiang Huayou Cobalt Company Limited Tongxiang 314500China

Aqueous zinc ion batteries(AZIBs),renowned for their high theoretical energy density,safety,cost-effectiveness and ecofriendliness,offer immense potential in the realm of energy storage and conversion,finding applications in renewable energy and portable ***,the development of AZIBs still faces several challenges related to the electrochemical behavior of zinc anodes in aqueous electrolytes,primarily zinc dendrite formation,which emphasize the critical need for a fundamental understanding of the interfacial phenomena between the electrode and *** review focuses on the three models:the electric double layer(EDL)model,the solvation structure model,and the Zn/electrolyte interface *** guide the design of the electrolyte system in *** models provide a comprehensive understanding of the interactions between the electrode,electrolyte,and the solvated ions in the *** optimizing the salt types,salt concentrations,solvents and additives based on these models,it is possible to enhance the performance of AZIBs,including their energy density,cycle life,and *** review also highlights recent research progress in electrolyte modification of AZIBs for understanding battery behavior,along with perspectives for the direction of further investigations.

关键词： aqueous zinc ion batteries electric double layer solvation structure electrolyte optimization