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Structural design of organic battery electrode materials:from DFT to artificial intelligence

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Rare Metals 2023年第10期42卷 3269-3303页

作者： ting-ting Wu Gao-Le Dai Jin-Jia Xu Fang cao Xiao-Hong Zhang yu Zhao yu-Min Qian Jiangsu Key Laboratory for Carbon-Based Functional Materials and Devices Soochow UniversitySuzhou215123China College of Materials Chemistry and Chemical EngineeringHangzhou Normal UniversityHangzhou311121China Department of Chemistry and Biochemistry University of Missouri–St.LouisSt.LouisMO63121USA Department of Health Technology Technical University of DenmarkKgs.Lyngby2800Denmark Key Lab of Advanced Optoelectronic Quantum Architecture and Measurement Beijing Key Lab of Nanophotonics and Ultrafine Optoelectronic Systemsand School of PhysicsBeijing Institute of TechnologyBeijing100081China

Redox-active organic materials are emerging as the new playground for the design of new exciting battery materials for rechargeable batteries because of the merits including structural diversity and tunable electrochemical properties that are not easily accessible for the inorganic *** importantly,the sustainability developed by using naturally abundant chemical elements(C,H,N,O and S) makes them as an ideal alternative material for Li-ion batteries(LIBs).However,the identification and screening of proper organic materials is still challenging in the past *** by the artificial intelligence,this review will give a summary of the theoretical design aspects of redox-active organic materials from densityfunctional theory(DFT) to machine learning(ML) methods in the past two decades,with a particular emphasis on the calculation method to predict the chemical/electrochemical stability and *** review will also analyze and discuss the challenges and perspectives for the development of organic battery materials.

关键词： Organic battery Density-functional theory(DFT) High-throughput computation Machine learning(ML)

Garnet-type solid-state electrolytes:crystal structure,interfacial challenges and controlling strategies

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Rare Metals 2023年第10期42卷 3177-3200页

作者： ting-ting Wu Sijie Guo Bing Li Chang-yu Shen Xian-Hu Liu An-Min cao National Engineering Research Center for Advanced Polymer Processing Technology Key Laboratory of Advanced Material Processing&Mold(Ministry of Education)Zhengzhou UniversityZhengzhou450002China CAS Key Laboratory of Molecular Nanostructure and Nanotechnology and Beijing National Laboratory for Molecular SciencesInstitute of ChemistryChinese Academy of Sciences(CAS)Beijing100190China University of Chinese Academy of Sciences Beijing100049China

All-solid-state batteries(ASSBs) hold great promise for next-generation energy storage technologies owing to their advantage in different aspects such as energy density,safety,and wide temperature ***,the use of solid-state electrolytes(SSEs) instead of liquid ones meanwhile brings serious concerns related to the point-to-point contact between SSEs and electrodes,which is known to result in high interface resistance and inhomogeneous distribution of charges during the Li^(+)plating/stripping process,eventually leading to a premature failure of *** review focuses on the garnet-type SSEs in the formula of Li_(7)La_(3)Zr_(2)O_(12)(LLZO),and discusses the structure-performance relationship of this ceramic electrolyte in detail to achieve a clear understanding of its Li^(+)transmission ***,the challenges of cubic phase LLZO(c-LLZO) for their application in solidstate batteries(SSBs) are demonstrated by the Li/LLZO interface,which features the importance of Li metal wettability and dendrite suppression for sustainable ***,this review summarizes the recent research strategies to combat these contact issues at the Li/LLZO interface,highlighting the essential role played by surface modification of LLZO *** the obtained insights,perspectives for future research on LLZO to accelerate its potential development of SSBs in commercialized applications are also provided.

关键词： Solid-state electrolytes(SSEs) Garnet-type electrolytes Li^(+)ion conductivity Interface engineering Lithium dendrites

Octylamine-Supporting Interlayer Expanded Molybdenum Diselenide as a High-Power Cathode for Rechargeable Mg Batteries

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Energy & Environmental Materials 2023年第6期6卷 191-198页

作者： Dong Chen Xin Ren ting Li Zhongxue Chen yu liang cao Fei Xu Key Laboratory of Hydraulic Machinery Transients Ministry of EducationSchool of Power and Mechanical EngineeringWuhan UniversityWuhan 430072China Key Laboratory of Catalysis and Materials Science of the State Ethnic Affairs Commission&Ministry of Education College of Chemistry and Materials ScienceSouth-Central University for NationalitiesWuhan 430074China Hubei Key Lab of Electrochemical Power Sources College of Chemistry&Molecular ScienceWuhan UniversityWuhan 430072China

Rechargeable Mg batteries(RMBs)are a promising large-scale energy-storage technology with low cost and high safety,but the performance is limited by the inferior kinetics of Mg-intercalation *** the present study,an octylamine-supporting interlayer expanded molybdenum diselenide(e-MoSe_(2))is synthesized and used as cathode for RMBs,in comparison with ordinary crystalline MoSe_(2).The octylamine molecules introduced show a strong interaction with the MoSe_(2)layers and increase the layer spacing significantly from 6.46 to 11.5Å.e-MoSe_(2)shows a high Mg-storage capacity of 238 mAh g^(-1)at 50 mA g^(-1)and a superior rate performance of 39 mAh g^(-1)at 10 A g1,far advantageous over crystalline MoSe_(2).e-MoSe_(2)also shows a considerably high structure stability during repeated magnesiation/demagnesiation,providing an outstanding cycling stability for 1000 *** electrochemical tests demonstrate the high Mg^(2+)diffusion coefficients in e-MoSe_(2).Theoretical computation indicates the interlayer expansion changes the Mg^(2+)diffusion paths from"hollow site→hollow site"to"hollow site→Se atom site→hollow site",largely decreasing the energy barrier and improving the Mg^(2+)diffusion *** present work highlights an efficient strategy for the improvement of Mg-storage performance for RMB cathodes.

关键词： batteries electrodes nanomaterials

Information standardization for typical toxic and harmful algae in China's coastal waters——a case study of Karenia mikimotoi

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Journal of Oceanology and Limnology 2022年第6期40卷 2178-2188页

作者： ting ZHAO Huidi cao Yanfen JIA Xiaotian HAN Tian YAN Rencheng yu Changjiang River Estuary Ecosystem Research Station Institute of OceanologyChinese Academy of SciencesQingdao 266071China Center for Ocean Mega-Science Chinese Academy of SciencesQingdao 266100China Eco-Environmental Monitoring and Research Center Pearl River Valley and South China Sea Ecology and Environment AdministrationMinistry of Ecology and EnvironmentPRCGuangzhou 510610China Qingdao Municipal Bureau of Ecology and Environment Qingdao 266003China Key Laboratory of Marine Ecology&Environmental Sciences Institute of OceanologyChinese Academy of SciencesQingdao 266071China

To assist the researches of toxic and harmful algae and provide government workers with judgment basis for decision-making related events,we established a biological information management system for toxic and harmful algae in China’s of fshore to assist relevant *** this study,Karenia mikimotoi was studied as a typical toxic and harmful algae species,and the basic biological information and biogeographic distribution information of *** were systematically studied and *** the part of basic biological information,the name,toxin,and molecular characteristic sequence of *** were sorted out by literature searching and website *** experimental means,the relevant information of morphological identifi cation,pigment composition,and lipid composition were *** the part of biogeographic distribution information,this study sorted out the information of ***,analyzed the characteristics of its occurrence,and completed the standardized construction of biogeographic distribution *** the collation of basic biological information and biogeographic distribution information of ***,the standardization of related information was completed,which provided template and method reference for information collection of other toxic and harmful algae species,which was benefi cial to the database analysis and design.

关键词： harmful algae basic biological information biogeographic distribution information information standardization

Understanding light pollution: Recent advances on its health threats and regulations

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Journal of Environmental Sciences 2023年第5期127卷 589-602页

作者： Miao cao ting Xu Daqiang Yin Key Laboratory of Yangtze River Water Environment Ministry of EducationCollege of Environmental Science and EngineeringTongji UniversityShanghai 200092China Shanghai Institute of Pollution Control and Ecological Security Shanghai 200092China

The prevalence of artificial lights not only improves the lighting conditions for modern society,but also poses kinds of health threats to human *** there are regulations and standards concerning light pollution,few of them are based on the potential contribution of improper lighting to ***,a better understanding of the health threats induced by light pollution may promote risk assessment and better regulation of artificial lights,thereby a healthy lighting *** review is based on a careful collection of the latest papers from 2018 to 2022 about the health threats of light pollution,both epidemiologically and *** addition to summing up the novel associations of light pollution with obesity,mental disorders,cancer,etc.,we highlight the toxicological mechanism of light pollution via circadian disruption,since light pollution directly interferes with the natural light-dark cycles,and damages the circadian photoentrainment of *** by reviewing the alternations of clock genes and disturbance of melatonin homeostasis induced by artificial lights,we aim to excavate the profound impacts of light pollution based on accumulating studies,thus providing perspectives for future research and guiding relevant regulations and standards.

关键词： Light pollution Circadian rhythm Melatonin Clock genes

Uniqueness Problem for Meromorphic Mappings in Several Complex Variables with Few Hyperplanes

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Acta Mathematica Sinica,English Series 2015年第8期31卷 1327-1338页

作者： Hong Zhe cao ting Bin cao Department of Mathematics Nanchang University

The purpose of this article is to deal with uniqueness problem with truncated multiplicities for meromorphic mappings in several complex variables. We obtain a degeneracy theorem of meromorphic mappings without taking account of multiplicities of order 〉 k in counting functions and a uniqueness theorem for meromorphic mappings sharing 2n ＋ 2（n ≥ 2） hyperplanes in general position, which improve and extend some earlier work.

关键词： Uniqueness problem meromorphic mappings truncated multiplicities

Effect of BaO and MgO on structure and properties of aluminate slag with various cao/Al_(2)0_(3)ratios

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Journal of Iron and Steel Research International 2024年第1期31卷 204-214页

作者： yu-qi Kong ting Wu Wen-zhi Xia Wen Yang Hai-chuan Wang School of Metallurgical Engineering Anhui University of TechnologyMa’anshan243032AnhuiChina Key Laboratory of Metallurgical Emission Reduction and Resource Recycling(Ministry of Education) Anhui University of TechnologyMa’anshan243002AnhuiChina

To provide theoretical guidance for performance stability control of low-reactive mold fluxes,the effects of BaO and MgO on the structure and properties of aluminate slag with various cao/Al_(2)0_(3)(C/A)ratios were investigated using the Fourier transform infrared spectrometer,Raman spectroscope,hemispherical melting point instrument,rotational viscometer and X-ray *** results indicated that with BaO and MgO addition,the structure polymerization was first weakened and then enhanced at C/A of 1.1,and the transition contents corresponded to 8 wt.%BaO and 2 wt.%MgO,respectively,while the structure polymerization decreased continuously at C/A of *** the viscosity change was well consistent with the structure evolution,the polymerization degree played a more prominent role in the slag viscosity than superheat degree when the melting temperature difference was within 40℃.The break temperature decreased initially and then increased with augment of BaO and MgO at C/A of 1.1,while it manifested a decrease trend with BaO addition,and it decreased obviously but then turned to increase with MgO increment at C/A of *** crystallization phase and crystallization ratio kept stable with BaO increment,while the crystallization ratio rose greatly with MgO promoting LiAlO_(2)precipitation at C/A of *** crystal types of all experimental slags were mainly Ca_(12)Al_(14)O_(33)and CaF_(2)at C/A of 1.3,and the precipitation of crystalline phase BaAl2O4 demonstrated a rising trend,while that of Ca_(12)Al_(14)O_(33)gradually declined with BaO augment.

关键词： Aluminate slag Structure MgO BaO Viscosity Property

Spectral resource defragmentation based on PCE in flexible bandwidth optical networks

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The Journal of China Universities of Posts and Telecommunications 2012年第6期19卷 105-112页

作者： LIN Qun ZHAO Yong-li cao Xu-ping yu Xiao-song TANG ting-ting ZHANG Jie State Key Laboratory of Information Photonics and Optical Communications Beijing University of Posts and Telecommunications

The granularity of the flexible bandwidth optical network is the spectral slots, which is much smaller than that of the wavelength switch optical network. For the dynamic clients＇ connections setup and tear down processes, it will give rise to fragmentation of spectral resources. It is the decline in the probability of finding sufficient contiguous spectrum for new connections that result in the fragmentation of spectral resource. To be more specific, these spectra may be unavailable and waste. In this case, the severe waste of the spectrum will lead to low efficiency in spectral utilization and will not adapt to large capacity requirements of transmission in the future. Because path computation element （PCE） framework has the characteristics of the central disposal and deployment of the spectrum resource, we construct the spectral resource allocation scenario based on PCE framework in the flexible bandwidth optical network to use spectrum resource effectively Based on the principle of the generation of the fragmentation, we put forward a spectrum resource defragmentation algorithm to consolidate the available spectrum for clients＇ connections. The simulation results indicate that this algorithm is able to reduce fragmentation of network, improve the continuity of spectral resource, reduce the blocking rate of services in the network and improve the spectral efficiency significantly.

关键词： flexible bandwidth optical network PCE framework spectral fragmentation spectral resource defragmentation

Engineering classification recycling of spent lithium-ion batteries through pretreatment:a comprehensive review from laboratory to scale-up application

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Rare Metals 2024年第3期43卷 915-941页

作者： Shu-Xuan Yan You-Zhou Jiang Xiang-Ping Chen Lu yuan ting-ting Min yu cao Wan-Li Peng Tao Zhou Hunan Provincial Key Laboratory of Chemical Power Sources College of Chemistry and Chemical EngineeringCentral South UniversityChangsha 410083China College of Chemistry and Chemical Engineering Hunan Normal UniversityChangsha 410083China School of Public Policy and Management Tsinghua UniversityBeijing 100084China China Nonferrous Metal Industry's Foreign Engineering and Construction Co. LtdBeijing 100029China

The lithium-ion batteries(LIBs)have been widely equipped in electric/hybrid electric vehicles(EVs/HEVs)and the portable electronics due to their excellent electrochemical ***,a large number of retired LIBs that consist of toxic substances(e.g.,heavy metals,electrolytes)and valuable metals(e.g.,Li,Co)will inevitably flow into the waste stream,and their incineration or landfill treatment will cause severe risks to ecosystem and human *** sustainable and efficient treatment or recycling of valuable resources from spent LIBs should be fully recognized for environmental and resource *** one of the most important processes for spent LIBs recycling,the pretreatment is an indispensable step,which is directly related to the subsequent metal extraction and separation *** considerable progresses have been made regarding the pretreatment technologies,there are few summarized reports concerning critical processes of spent LIBs recycling,especially combination of currently available recycling technologies with industrialized applications during ***,comprehensive review of the current prevailing pretreatment technologies in laboratory to existing scale-up applications is quite necessary to reveal cutting-edge development in the field of *** this review,the current pretreatment technologies are systematically categorized and introduced,along with critical *** review focused on the various options for pretreatment processes itself,instead of general spent LIBs recycling technologies without the focused topics that have been sophisticatedly reviewed by previous ***,the deactivation,discharge,dismantling,separation,liberation of active material and electrolyte treatment have been summarized with the in-depth discussion of the technology development and current status of each ***,current states of industrial development are also reviewed and discussed for the development of

关键词： Spent lithium-ion batteries(LIBs) Recycling Pretreatment Valuable metals Cutting-edge technologies Industrialized application