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Long‐life lithium batteries enabled by a pseudo‐oversaturated electrolyte

Carbon Energy 2024年第4期6卷 115-127页

作者： Youchun Yu Simeng Wang Juyan Zhang Weiwei Qian Nana Zhang Guangjie Shao Haiyan Bian Yuwen Liu Lan Zhang Hebei Key Laboratory of applied Chemistry College of Environmental and Chemical EngineeringYanshan UniversityQinhuangdaoChina Beijing Key Laboratory of Ionic Liquids Clean process CAS Key Laboratory of Green Process and EngineeringInstitute of Process EngineeringChinese Academy of SciencesBeijingChina Haike Group Research institute of Innovation&Technology DongyingChina Langfang Green Industrial Technology Center LangfangChina

The specific energy of Li metal batteries(LMBs)can be improved by using high‐voltage cathode materials;however,achieving long‐term stable cycling performance in the corresponding system is particularly challenging for the liquid ***,a novel pseudo‐oversaturated electrolyte(POSE)is prepared by introducing 1,1,2,2‐tetrafluoroethyl‐2,2,3,3‐tetrafluoropropyl ether(TTE)to adjust the coordination structure between diglyme(G2)and lithium bis(trifluoromethanesulfonyl)imide(LiTFSI).Surprisingly,although TTE shows little solubility to LiTFSI,the molar ratio between LiTFSI and G2 in the POSE can be increased to 1:1,which is much higher than that of the saturation state,1:*** and experimental results prove that TTE promotes closer contact of the G2 molecular with Li^(+)in the ***,it also participates in the formation of electrolyte/electrode *** electrolyte shows outstanding compatibility with both the Li metal anode and typical high‐voltage ***||Li symmetric cells show a long life of more than 2000 h at 1 mA cm^(−2),1 mAh cm^(−2).In the meantime,Li||LiNi_(0.8)Co_(0.1)Mn_(0.1)O_(2)(NCM811)cell with the POSE shows a high reversible capacity of 134.8 mAh g^(−1 )after 900 cycles at 4.5 V,1 C *** concept of POSE can provide new insight into the Li^(+)solvation structure and in the design of advanced electrolytes for LMBs.

关键词： high voltage lithium metal batteries pseudo‐oversaturated electrolyte solid electrolyte interphases(SEI) solvation structure

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Current collectors' effects on the electrochemical performance of LiNi0.6Co0.2Mn0.2O2 suspension electrodes for lithium slurry battery

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Green Energy & Environment 2024年第8期9卷 1306-1313页

作者： Linshan Peng Yufei Ren Zhaoqiang Yin Zhitong Wang Xiangkun Wu Lan Zhang CAS Key Laboratory of Green process and engineering Beijing Key Laboratory of Ionic Liquids Clean ProcessState Key Laboratory of Multiphase Complex SystemsInstitute of Process EngineeringChinese Academy of Sciences School of Chemical engineering University of Chinese Academy of Sciences Hefei university institute of Mechanics Chinese Academy of Sciences Langfang Green Industrial Technology Center

Take after the advantages of lithium-ion battery（LIB） and redox flow battery（RFB）, semi-solid flow battery（SSFB） is a promising electrochemical energy storage device in renewable energy utilization. The flowable slurry electrode realizes decouple of energy and power density,while it also brings about new challenge to SSFBs, electron transport between active material and the out circuit. In this consideration, three types of current collectors（CCs） are applied to study the resistance and electrochemical performances of slurry cathodes within pouch cells for the first time. It proves that the electronic resistance（Re） between slurry electrode and the CC plays a decisive role in SSFB operation, and it is so large when Al foil is adopted that the cell cannot even work. Contact angle between Ketjen black（KB） slurry without active material（AM） and the CC is a preliminarily sign for the Re, the smaller the angle, the lower the resistance, and the better electrochemical performance of the cell.

关键词： Semi-solid flow battery Slurry electrode Current collector Electronic resistance Carbon coated Al

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Considering solid shear stress in MP-PIC simulation of a CFB riser

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Particuology 2024年第6期89卷 79-87页

作者： Tagir Kadyrov Fei Li Atta Ullah Nature-inspired engineering Center University of TyumenTyumen 625003Russia Laboratory of Theory and Optimization of Chemical and Technological processes University of TyumenTyumen625003Russia State Key Laboratory of Multi-phase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China Department of Chemical engineering Pakistan Institute of Engineering&Applied SciencesIslamabad 45650Pakistan

To enable successful multi-phase particle-in-cell(MP-PIC)simulations of circulating fluidized beds(CFBs),both the interphase drag force and interparticle collisions need to be carefully *** collisions are usually represented by the solid stress consisting of the normal and shear components,in which the normal stress was found to have a leading role in the numerical stability of MP-PIC simulations,whereas the impact of the shear stress has seldom been *** this work,the effects of the solid shear stress are investigated by using two-dimensional simulations of the moderately dense laboratory-scale CFB riser with in-house MP-PIC code implemented on MFIX open-source *** including only normal solid stress and those considering both normal and shear solid stresses are *** results of solids flux,axial and radial solids profiles are compared with available experimental *** results show that the solid shear stress plays a minor role on the accuracy of simulation,and the increase of PPP(number particles per parcel)leads to a lower accuracy of simulation.

关键词： Simulation Fluidization Multiphase particle-in-cell(MP-PIC) Solid shear stress

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A Facile Li2TiO3 Surface Modification to Improve the Structure Stability and electrochemical Performance of Full Concentration Gradient Li-Rich Oxides

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Energy & Environmental Materials 2024年第3期7卷 45-52页

作者： Naifang Hu Yuan Yang Lin Li Yuhan Zhang Zhiwei Hu Lan Zhang Jun Ma Guanglei Cui Qingdao Industrial Energy Storage Research institute Qingdao Institute of Bioenergy and Bioprocess TechnologyChinese Academy of Sciences institute of Materials Science and engineering Ocean University of China School of Future Technology University of Chinese Academy of Sciences Max Planck institute for Chemical Physics of Solids CAS Key Laboratory of Green process and engineering Beijing Key Laboratory of Ionic Liquids Clean ProcessState Key Laboratory of Multiphase Complex SystemsInstitute of Process EngineeringChinese Academy of Sciences Shandong Energy institute

Full concentration gradient lithium-rich layered oxides are catching lots of interest as the next generation cathode for lithium-ion batteries due to their high discharge voltage,reduced voltage decay and enhanced rate performance,whereas the high lithium residues on its surface impairs the structure stability and long'term cycle performance. Herein,a facile multifunctional surface modification method is implemented to eliminate surface lithium residues of full concentration gradient lithium-rich layered oxides by a wet chemistry reaction with tetrabutyl titanate and the post-annealing process. It realizes not only a stable Li2TiO3coating layer with 3D diffusion channels for fast Li+ions transfer,but also dopes partial Ti4+ions into the sub-surface region of full concentration gradient lithium-rich layered oxides to further strengthen its crystal structure. Consequently,the modified full concentration gradient lithium-rich layered oxides exhibit improved structure stability,elevated thermal stability with decomposition temperature from 289.57℃to321.72℃,and enhanced cycle performance (205.1 mAh g-1after 150 cycles)with slowed voltage drop （1.67 mV per cycle）. This work proposes a facile and integrated modification method to enhance the comprehensive performance of full concentration gradient lithium-rich layered oxides,which can facilitate its practical application for developing higher energy density lithium-ion batteries.

关键词： full concentration gradient lithium-rich layered oxides structure stability surface modification

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Advanced Materials for NH_(3) Capture: Interaction Sites and Transport Pathways

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Nano-Micro Letters 2024年第11期16卷 119-155页

作者： Hai‑Yan Jiang Zao‑Ming Wang Xue‑Qi Sun Shao‑Juan Zeng Yang‑Yang Guo Lu Bai Ming‑Shui Yao Xiang‑Ping Zhang Key Laboratory of Green process and engineering State Key Laboratory of Mesoscience and EngineeringBeijing Key Laboratory of Ionic Liquids Clean ProcessInstitute of Process EngineeringChinese Academy of SciencesBeijing 100190People’s Republic of China School of Future Technology University of Chinese Academy of SciencesBeijing 100049People’s Republic of China China university of Petroleum Beijing 102249People’s Republic of China institute for Integrated Cell‑Material sciences(iCeMS) Kyoto UniversitySakyo‑KuYoshidaKyoto 606‑8501Japan

Ammonia(NH3)is a carbon-free,hydrogen-rich chemical related to global food safety,clean energy,and environmental *** an essential technology for meeting the requirements raised by such issues,NH3 capture has been intensively explored by researchers in both fundamental and applied *** four typical methods used are(1)solvent absorption by ionic liquids and their derivatives,(2)adsorption by porous solids,(3)abadsorption by porous liquids,and(4)membrane *** in the development of advanced materials for NH3 capture,we conducted a coherent review of the design of different materials,mainly in the past 5 years,their interactions with NH3 molecules and construction of transport pathways,as well as the structure–property relationship,with specific examples ***,the challenges in current research and future worthwhile directions for NH3 capture materials are proposed.

关键词： Ammonia capture Solvents Porous solids Porous liquids Membranes

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Energy budget of cold and hot gas-solid fluidized beds through CFD-DEM simulations

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Particuology 2024年第6期89卷 153-171页

作者： Lei Bi Yunpeng Jiao Chunjiang Liu Jianhua Chen Wei Ge School of Chemical engineering and Technology Tianjin UniversityTianjin 300072China State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing100190China School of Chemical engineering University of Chinese Academy of SciencesBeijing 100049China

Direct energy budget is carried out for both cold and hot flow in gas–solid fluidization ***,the energy paths are proposed from thermodynamic *** consumption means total power input to the specific system,and it can be decomposed into energy retention and energy *** retention is the variation of accumulated mechanical energy in the system,and energy dissipation is the energy converted to heat by irreversible *** based on the Computational Fluid Dynamics-Discrete Element Method(CFD-DEM)framework,different energy terms are quantified from the specific flow elements of fluid cells and particles as well as their interactions with the *** order to clarify the energy budget,it is important to identify which system is studied:the particle-fluid system or the particle *** the cold flow,the total energy consumption of the particle sub-system can well indicate the onset of bubbling and turbulent,while the variation of local energy consumption terms can reflect the evolution of heterogeneous *** the hot flow,different heat transfer mechanisms are analyzed and the solver is modified to reproduce the experimental *** impact of the heat transfer mechanisms and heat production on energy consumption is also *** proposed budget method has proven to be energy-conservative and easy to conduct,and it is hopeful to be applied to other multiphase flow systems.

关键词： Energy budget Gas-solid fluidization CFD-DEM Regime transition Heat transfer mechanism

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A Case Study Applying Mesoscience to Deep Learning

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engineering 2024年第8期39卷 84-93页

作者： Li Guo Fanyong Meng Pengfei Qin Zhaojie Xia Qi Chang Jianhua Chen Jinghai Li State Key Laboratory of Multiphase Complex Systems Institute of Process EngineeringChinese Academy of SciencesBeijing 100190China School of Chemical engineering University of Chinese Academy of SciencesBeijing 100049China

In this paper,we propose mesoscience-guided deep learning(MGDL),a deep learning modeling approach guided by mesoscience,to study complex *** establishing sample dataset based on the same system evolution data,different from the operation of conventional deep learning method,MGDL introduces the treatment of the dominant mechanisms of complex system and interactions between them according to the principle of compromise in competition(CIC)in *** constraints are then integrated into the loss function to guide the deep learning *** methods are proposed for the addition of mesoscience *** physical interpretability of the model-training process is improved by MGDL because guidance and constraints based on physical principles are *** was evaluated using a bubbling bed modeling case and compared with traditional *** a much smaller training dataset,the results indicate that mesoscience-constraint-based model training has distinct advantages in terms of convergence stability and prediction accuracy,and it can be widely applied to various neural network *** MGDL approach proposed in this paper is a novel method for utilizing the physical background information during deep learning model *** exploration of MGDL will be continued in the future.

关键词： Mesoscience Deep learning Complex system Gas-solid system Bubbling bed

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Role of methoxy and C_(α)-based substituents in electrochemical oxidation mechanisms and bond cleavage selectivity of β-O-4 lignin model compounds

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Green Energy & Environment 2024年第1期9卷 114-125页

作者： Yang Zhou Qiang Zeng Hongyan He Kejia Wu Fuqiao Liu Xuehui Li School of Chemistry and Chemical engineering The Guangdong Provincial Key Laboratory of Green Chemical Product TechnologyState Key Laboratory of Pulp and Paper EngineeringSouth China University of TechnologyGuangzhouGuangdong510640China CAS Key Laboratory of Green process and engineering Institute of Process EngineeringChinese Academy of SciencesBeijing100190China

In order to better understand the specific substituent effects on the electrochemical oxidation process of β-O-4 bond, a series of methoxyphenyl type β-O-4 dimer model compounds with different localized methoxyl groups, including 2-(2-methoxyphenoxy)-1-phenylethanone, 2-(2-methoxyphenoxy)-1-phenylethanol, 2-(2-methoxyphenoxy)-1-(4-methoxyphenyl)ethanone, 2-(2-methoxyphenoxy)-1-(4-methoxyphenyl)ethanol, 2-(2,6-dimethoxyphenoxy)-1-(4-methoxyphenyl)ethanone, 2-(2,6-dimethoxyphenoxy)-1-(4-methoxyphenyl)ethanol have been selected and their electrochemical properties have been studied experimentally by cyclic voltammetry, and FT-IR spectroelectrochemistry. Combining with electrolysis products distribution analysis and density functional theory calculations, oxidation mechanisms of all six model dimers have been explored. In particular, a total effect from substituents of both para-methoxy(on the aryl ring closing to Cα) and Cα-OH on the oxidation mechanisms has been clearly observed, showing a significant selectivity on the Cα-Cβbond cleavage induced by electrochemical oxidations.

关键词： Lignin model compounds β-O-4 dimers electrochemical oxidation Oxidation mechanisms Substituent effect

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Regulating the non-effective carriers transport for high-performance lithium metal batteries

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Journal of Energy Chemistry 2024年第5期92卷 132-141页

作者： Simeng Wang Youchun Yu Shaotong Fu Hongtao Li Jiajia Huang institute of process engineering Chinese Academy of SciencesBeijing 100190China School of Chemical engineering University of Chinese Academy of SciencesBeijing 100049China Haike Group Research institute of Innovation&Technology Dongying 257000ShangdongChina

The absence of control over carriers transport during electrochemical cycling,accompanied by the deterioration of the solid electrolyte interphase(SEI)and the growth of lithium dendrites,has hindered the development of lithium metal ***,a separator complexion consisting of polyacrylonitrile(PAN)nanofiber and MIL-101(Cr)particles prepared by electrospinning is proposed to bind the anions from the electrolyte utilizing abundant effective open metal sites in the MIL-101(Cr)particles to modulate the transport of non-effective *** binding effect of the PANM separator promotes uniform lithium metal deposition and enhances the stability of the SEI layer and long cycling stability of ultra-high nickel layered oxide *** PANM as the Li||NCM96 separator enables high-voltage cycling stability,maintaining 72%capacity retention after 800 cycles at a charging and discharging rate of 0.2 C at a cut-off voltage of 4.5 V and 0°***,the excellent high-rate performance delivers a specific capacity of 156.3 mA h g^(-1) at 10 *** addition,outstanding cycling performance is realized from−20 to 60°*** separator engineering facilitates the electrochemical performance of lithium metal batteries and enlightens a facile and promising strategy to develop fast charge/discharge over a wide range of temperatures.

关键词： Functional separators Metal-organic frameworks 3D continuous ion transport networks Electrospinning Lithium metal batteries

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Mass transfer in heap leaching of weathered crust elution deposited rare earth ore with Al_(2)(SO_(4))_(3) solution

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Journal of Rare Earths 2024年第6期42卷 1175-1181,I0007页

作者： Jingqun Yin Dedong Zeng Jun Tian Yaqing Weng institute of applied Chemistry Jiangxi Academy of SciencesNanchang330096China School of Chemistry and Chemical engineering Nanchang UniversityNanchang330031China

In order to increase efficiency and avoid NH^(4+)-N pollution in the leaching process of weathered crust elution-deposited rare earth ores,the mass transfer in heap leaching with Al_(2)(SO_(4))_(3) solution was simulated with column elution and experimentally *** results indicate that the leaching yield is also up to 99%for leaching with aluminum sulfate instead of ammonium *** optimal flow rate is 60 mL/h,the height equivalent to a theoretical plate(HETP)is 1.29 mm *** peak value position of RE^(3+)is 60 mL/h,Fe^(3+)is 100 mL/h,however,Al^(3+)is 150 mL/h,and the heap leaching process has kinetic separation effect.

关键词： Raree arths Mass transfer process optimization Heapleaching Weathered crust elution-deposited rare earth ore

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