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Journal of Energy Chemistry 2021年第3期30卷 72-88页

作者： Yongqiang Kang Lejing li baohua li Tsinghua Shenzhen International Graduate School Tsinghua UniversityShenzhen 518055GuangdongChina School of Materials Science and Engineering Tsinghua UniversityBeijing 100081China Department of Chemistry The Chinese University of Hong KongHong Kong 999077China

In nature,the properties of matter are ultimately governed by the electronic *** chemistry(QC)at electronic level matches well with a few simple physical assumptions in solving simple *** date,machine learning(ML)algorithm has been migrated to this field to simplify calculations and improve *** review introduces the basic information on universal electron structures of emerging energy materials and ML algorithms involved in the prediction of material ***,the structure-property relationships based on ML algorithm and QC theory are ***,the summary of recently reported applications on classifying crystal structure,modeling electronic structure,optimizing experimental method,and predicting performance is ***,an outlook on ML assisted QC calculation towards identifying emerging energy materials is also presented.

关键词： Energy materials Quantum chemistry Machine learning Structure-property relationship

Call for knowledge systematization:An example from lithium ion batteries recycling

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Journal of Energy Chemistry 2024年第7期94卷 169-170页

作者： Yun Zhao baohua li Institute of Materials Research Tsinghua Shenzhen International Graduate SchoolTsinghua UniversityShenzhen 518055GuangdongChina

Scientific research is one of the primary ways to drive human civilization *** research institutions and researchers worldwide are dedicated to exploring the unknown,resulting in a flood of research findings[1].For instance,Web of Science alone collects over 10,000 academic papers on a daily *** each research field typically has around 10%of review articles,these mainly focus on a limited portion of the subject,failing to provide a comprehensive and real-time updated *** a result,researchers or students in a particular field may spend several months,or even longer,comprehending the state of research that has developed over just a few *** lack of systematic background often leads to redundant or similar studies,which is highly detrimental to the progress of science and technology.

关键词： lithium typically spend

Impact of evolution of cathode electrolyte interface of li(Ni0.8Co0.1Mn0.1)O2 on electrochemical performance during high voltage cycling process

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Journal of Energy Chemistry 2020年第8期29卷 72-78,I0003页

作者： Wei Wang Qin Yang Kun Qian baohua li Engineering Laboratory for Next Generation Power and Energy Storage Batteries Graduate School at ShenzhenTsinghua UniversityShenzhen 518055GuangdongChina School of Materials Science and Engineering Tsinghua UniversityBeijing 100084China

In this work, the electrochemical performance of liNi0.8Co0.1Mn0.1O2(NCM811) has been investigated after cycling with various upper cutoff voltages. Noteworthily, electrochemical impedance of NCM811 declined with the increasing cycle number to high voltages. It was found that the decline of charge transfer impedance could be related to the structural and compositional change of cathode electrolyte interphase(CEI) of NCM811 when charging to high voltages, based on the characterization of electrochemical impedance spectroscopy(EIS), X-ray photoelectron spectroscopy(XPS) and transmission electron microscopy(TEM). The corresponding mechanism has also been proposed in this study. Specifically, due to the increasing roughness of cathode surface, the bottom of CEI film and cubic phase on cathode surface form a transition region mainly at high voltages, leading to the nonobvious boundary. This newly formed transition region at high voltages could promote the li ion diffusion from electrolyte to cathode, then reducing charge transfer impedance. Additionally, the decrease of li F on the surface of the cathode could also make a contribution to lower the interface impedance. This study delivers a different evolution of CEI on NCM811, and the impact of CEI evolution on electrochemical performance when charging to a high voltage.

关键词： Cathode electrolyte interface NCM811 Overcharge Rock salt phase

Stabilizing sodium metal anode through facile construction of organicmetal interface

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Journal of Energy Chemistry 2022年第3期31卷 133-139,I0005页

作者： Jiaolong Zhang Shuo Wang Wenhui Wang baohua li School of Materials Science and Engineering Dongguan University of TechnologyDongguan 523808GuangdongChina International Collaborative Laboratory of 2D Materials for Optoelectronics Science and Technology of Ministry of Education Institute of Microscale OptoelectronicsShenzhen UniversityShenzhen 518060GuangdongChina School of Civil and Environmental Engineering Harbin Institute of TechnologyShenzhen 518055GuangdongChina Shenzhen Key Laboratory on Power Battery Safety and Shenzhen Geim Graphene Center Tsinghua Shenzhen International Graduate School(SIGS)Shenzhen 518055GuangdongChina

Implementation of sodium metal anode is highly desired for sodium batteries due to its high theoretical capacity and low redox ***,formation of unstable solid electrolyte interphase(SEI)and uncontrollable growth of dendrites during charge/discharge cycles greatly hinder the practical application of sodium metal *** this study,an organic-metal artificial layer made of PVdF and Bi was constructed to protect Cu current collector via a facile coating method,leading to smooth and dense sodium plating/stripping,which in retern enables stable cycling and high coulombic efficiency(CE).At 1 mA cm^(−2),PB@Cu current collector presents extended lifetime of~2500 h with high sodium utilization of 50%,which is approximately six times higher than Cu current ***@Cu electrode also displays high average CE of 99.92%and 99.95%over 2500 and 1300 cycles at 1 and 2 mA cm^(−2) respectively,which is in sharp contrast to the low and tremendously fluctuant CE gained from bare Cu ***,stable capacity of>90 mAh g^(−1) over 150 cycles is realized for PB@Cu-based full cell assembled with NVP cathode at a low negative-positive capacity ratio of~3.5,which is significantly higher than 37.2 mAh g^(−1) obtained from NVP/Cu at 150th *** superior electrochemical performance of PB@Cu current collector is revealed to originate from the alloyed Na_(3)Bi phase with high sodium conductivity and robust mechanical strength as well as the formation of NaF-rich SEI with fast sodium ion migration,which enable dendrite-free morphology during plating/stripping cycles.

关键词： Sodium metal anode Organic-metal artificial layer Bi PVdF Solid electrolyte interphase

Multiphase redistribution differences of polycyclic aromatic hydrocarbons （PAHs） between two successive sediment suspensions

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Frontiers of Environmental Science & Engineering 2016年第2期10卷 381-389页

作者： Rufeng li Chenghong FENG Dongxin WANG baohua li Zhenyao SHEN The Key Laboratory of Water and Sediment Sciences (Ministry of Education) School of Environment Beijing Normal University Beijing 100875 China

Successive sediment suspensions often happen in estuary, yet little research has probed into the difference in the release behaviors of organic compounds among different suspensions. This study took polycyclic aromatic hydrocarbons （PAHs） as typical organic contaminants and investigated the release behaviors between two successive suspensions with a particle entrainment simulator （PES）. Results showed that successive sediment suspensions lowered the concentration of dissolved PAHs in the overlying water via facilitating the re-adsorption of dissolved PAHs onto the suspended particles. Fast-release and slow-release periods of PAHs were successively observed in the both suspensions. The concentration changes of dissolved PAHs in the second suspension were generally similar with but hysteretic to those in the first suspension. More vigorous desorption and re-absorp- tion of PAHs were induced in the second suspension. Successive sediment suspensions obviously decreased the concentrations of mineral composition and organic matters in the overlying water, which significantly affects multi- phase distribution of PAHs.

关键词： sediment suspension PAHs multiphase dis-tribution distribution coefficients

Research on the Control Strategy of Micro Wind-Hydrogen Coupled System Based on Wind Power Prediction and Hydrogen Storage System Charging/Discharging Regulation

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Energy Engineering 2024年第6期121卷 1607-1636页

作者： Yuanjun Dai Haonan li baohua li College of Machine Shanghai DianJi UniversityShanghai201306China

This paper addresses the micro wind-hydrogen coupled system,aiming to improve the power tracking capability of micro wind farms,the regulation capability of hydrogen storage systems,and to mitigate the volatility of wind power generation.A predictive control strategy for the micro wind-hydrogen coupled system is proposed based on the ultra-short-term wind power prediction,the hydrogen storage state division interval,and the daily scheduled output of wind power *** control strategy maximizes the power tracking capability,the regulation capability of the hydrogen storage system,and the fluctuation of the joint output of the wind-hydrogen coupled system as the objective functions,and adaptively optimizes the control coefficients of the hydrogen storage interval and the output parameters of the system by the combined sigmoid function and particle swarm algorithm(sigmoid-PSO).Compared with the real-time control strategy,the proposed predictive control strategy can significantly improve the output tracking capability of the wind-hydrogen coupling system,minimize the gap between the actual output and the predicted output,significantly enhance the regulation capability of the hydrogen storage system,and mitigate the power output fluctuation of the wind-hydrogen integrated system,which has a broad practical application prospect.

关键词： Micro wind-hydrogen coupling system ultra-short-term wind power prediction sigmoid-PSO algorithm adaptive roll optimization predictive control strategy

Variations of opal accumulation rates and paleoproductivity over the past 12 Ma at ODP Site 1143, southern South China Sea

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Chinese Science Bulletin 2002年第7期47卷 596-598页

作者： li Jianru Wang Rujian li baohua Laboratory of Marine Geology MEOTongji University200092ShanghaiChina Nanjing Institute of Geology and Paleontology Chinese Academy of Sciences210008NanjingChina

The biogenic silica analysis was performed on 463 samples from ODP 184 Site 1143, the southern South China Sea. The results show that the opal content and MAR evidently increased between 12.3 and 5.7 Ma, which was contemporary with the high carbonate and total MARs, reflecting the high biogenic productivity in the late Miocene. This demonstrates the occurrence of the late Miocene 'Biogenic Bloom Event' in the southern South China Sea, corresponding to the late Miocene-early Pliocene 'Biogenic Bloom Event' in the Indian-Pacific Ocean. The increases of opal content and MAR after the middle Pleistocene (about 0.7 Ma) is inferred to result from the enhanced upwelling and nutrient supply, which was induced by the intensified monsoon circulation after the 'Mid-Pleistocene Revolution'.

关键词： opal MAR biogenic productivity Biogenic Bloom Event late Miocene South China Sea.

Towards high-performance lithium metal anodes via the modification of solid electrolyte interphases

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Journal of Energy Chemistry 2020年第6期29卷 7-17,I0001页

作者： Zhen Hou Jiaolong Zhang Wenhui Wang Qianwen Chen baohua li Chaolin li Shenzhen Key Laboratory of Organic Pollution Prevention and Control Environmental Science and Engineering Research CenterHarbin Institute of TechnologyShenzhen 518055GuangdongChina Department of Chemistry Southern University of Science and Technology(SUSTech)Shenzhen 518055GuangdongChina Shenzhen Key Laboratory on Power Battery Safety Research and Shenzhen Geim Graphene Center Tsinghua Shenzhen International Graduate SchoolShenzhen 518055GuangdongChina

li metal has been regarded as one of the most promising anodes for high-energy-density storage systems due to its high theoretical capacity and lowest electrochemical ***,an unstable and non-uniform solid electrolyte interphase(SEI)deriving from the spontaneous reaction between li metal anode and electrolyte causes uneven li deposition,resulting in the growth of li dendrites and low Coulombic efficiency,which have greatly hindered the practical application of li metal ***,the construction of a stable SEI is an effective approach to suppress the growth of li dendrites and enhance the electrochemical performances of li metal *** this review,we firstly introduce the formation process of inferior SEI of li metal anode and the corresponding challenges caused by the unstable ***,recent progresses to modify SEI layer through the regulation of electrolyte compositions and exsitu protective coating are ***,the remained issues,challenges,and perspectives are also proposed on the basis of current research status and progress.

关键词： li metal anode Coulombic efficiency Dendrites Solid electrolyte interphases Coating

Considerations of advanced aqueous batteries recycling:A perspective

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Journal of Energy Chemistry 2024年第6期93卷 46-54,I0002页

作者： Yun Zhao Yuqiong Kang Hao Du Feiyu Kang baohua li Institute of Materials Research Tsinghua Shenzhen International Graduate SchoolTsinghua UniversityShenzhen 518055GuangdongChina

*** Battery technology,serving as a basis for a rechargeable society,has developed rapidly over a century[1].The progress can be roughly divided into three stages,with the initial two mainly focusing on aqueous battery *** to 1859,research primarily focused on the conceptualization of batteries and the development of primary(non-rechargeable)cells[2].In the subsequent150 years,rechargeable battery technology emerged。

关键词： battery Battery primarily

Incombustible solid polymer electrolytes:A critical review and perspective

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Journal of Energy Chemistry 2024年第6期93卷 264-281,I0007页

作者： Kai Wu Jin Tan Zhenfang liu Chenguang Bao Ao li Qi liu baohua li College of Materials Science and Engineering Hunan UniversityChangsha 413000HunanChina Tsinghua Shenzhen International Graduate School Tsinghua UniversityShenzhen 055GuangdongChina

Since the advent of the solid-state batteries,employing solid polymer electrolytes(SPEs)to replace routine flammable liquid electrolytes is regarded to be one of the most promising solutions in pursing highenergy-density battery *** with superior thermal stability,good processability,and high mechanical modulus obtain increasing ***,SPE-based batteries are not impenetrable due to their decomposition and combustibility under extreme *** believe incorporating appropriate flame-retardant additives/solvents/fragments into SPEs can intrinsically reduce their flammability to solve the battery safety *** this review,the recent research progress of incombustible SPEs,with special emphasis on flame-retardant structural design,is ***,a brief introduction of flame-retardant mechanism,evaluation index for safety of SPEs,and a detailed overview of the latest advances on diverse-types SPEs in various battery systems are *** deep insight into thermal ru naway process,the free-standing incombustible GPEs,and the ratio nal design of pouch cell structures may be the main directions to motivate revolutionary next-generation for safety batteries.

关键词： Non-flammable electrolyte Solid polymer electrolyte High safety electrolyte Solid state electrolyte Solid state battery