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Regulating solid electrolyte interphase film on fluorinedoped hard carbon anode for sodium-ion battery

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Carbon energy 2024年第6期6卷 200-215页

作者： Cuiyun Yang Wentao Zhong Yuqiao Liu Qiang Deng Qian Cheng Xiaozhao Liu Chenghao Yang Guangzhou Key Laboratory for Surface Chemistry of energy Materials New Energy Research InstituteSchool of Environment and EnergySouth China University of TechnologyGuangzhouChina

For the performance optimization strategies of hard carbon,heteroatom doping is an effective way to enhance the intrinsic transfer properties of sodium ions and electrons for accelerating the reaction ***,the previous work focuses mainly on the intrinsic physicochemical property changes of the material,but little attention has been paid to the resulting interfacial regulation of the electrode surface,namely the formation of solid electrolyte interphase(SEI)*** this work,element F,which has the highest electronegativity,was chosen as the doping source to,more effectively,tune the electronic structure of the hard *** effect of F-doping on the physicochemical properties of hard carbon was not only systematically analyzed but also investigated with spectroscopy,optics,and in situ characterization techniques to further verify that appropriate F-doping plays a positive role in constructing a homogenous and inorganic-rich SEI *** experimentally demonstrated link between the electronic structure of the electrode and the SEI film properties can reframe the doping optimization strategy as well as provide a new idea for the design of electrode materials with low reduction kinetics to the *** a result,the optimized sample with the appropriate F-doping content exhibits the best electrochemical performance with high capacity(434.53 mA h g^(-1)at 20mA g^(-1))and excellent rate capability(141 mAh g^(-1)at 400 mA g^(-1)).

关键词： F-doping hard carbon reduction kinetics sodium-ion batteries solid electrolyte interphase film

Halogen-bond induced unusual polyhalogen anions formation in hydrogen-bonded frameworks to secure iodine sequestration

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Nano Research 2024年第7期17卷 6766-6772页

作者： Yi Xie Pengling Huang Qiang Gao Shiyu Wang Jianchen Wang Gang Ye Collaborative Innovation Center of Advanced Nuclear energy Technology Institute of Nuclear and New Energy TechnologyTsinghua UniversityBeijing 100084China

Safe confinement of fission iodine isotopes for long-term radioactive waste disposal remains a formidable challenge,as conventional sorbents provide inherently weak iodine-host *** report here a novel halogen bond(X-bond)directed strategy to sequester volatile iodine in hydrogen-bonded(H-bonded)frameworks with unprecedented ***-assisted Hbonded frameworks bearing open halide sites are developed,showing distinctive iodine encapsulation behaviors without compromising the *** crystallographic evidence indicates the formation of X-bonds,i.e.,I–I···Cl^(−) and I–I···Br^(−),within the confined pore *** polyhalogen anions,i.e.,[I_(2)Cl_(2)]^(2−)and[I_(2)Br_(2)]^(2−),sustained in H-bonded frameworks are identified for the first *** X-bond reinforced host-guest interaction affords robust iodine trapping without leaking out even at elevated temperatures up to 180℃.By integrating the halogen-bond chemistry with H-bonded frameworks,this study offers fresh concepts for developing effective host reservoirs to secure fission iodine isotopes from spent fuel reprocessing off-gases.

关键词： halogen-bond chemistry anion coordination chemistry hydrogen-bonded organic frameworks polyhalogen anions iodine confinement

CFD-DEM simulation of fluorination reaction in fluidized beds with local grid and time refinement method

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Particuology 2024年第1期84卷 145-157页

作者： Mofan Qiu Lin Jiang Rongzhen Liu Yaping Tang Malin Liu institute of Nuclear and new energy Technology Collaborative Innovation Center of Advanced Nuclear Energy TechnologyTsinghua UniversityBeijing100084China

The gas-solid reaction process with wide particle size distribution is extensively used in the chemical engineering field,especially the particle reacts with the gas gradually,such as fluorination reactions in fluidized *** the computational fluid dynamics-discrete element method(CFD-DEM)is used for the coupling simulation of multiphase and polydisperse particle reaction system,the grid size directly affects the accuracy of flow field information and simulation of chemical ***,particle calculation time step will directly affect the efficiency of coupling *** this work,a local grid and time step refinement method is proposed to simulate multiphase and polydisperse particle fluid-ization reaction *** this method,the refined DEM grids are automatically generated in the computational domain around the fine particles,and the detailed fluid phase information is obtained with the interpolation *** the two-phase coupling process,particles are divided into different groups based on physical properties,each group has its own independent time *** multistage conical-cylindrical spouted bed is proposed for the fluorination reaction process;the operating gas ve-locity range of the polydisperse particle system is extended by the new design while the particle size distribution changes with the gas-solid reaction *** is demonstrated that the local grid and time step refinement method can improve the accuracy and efficiency of the traditional CFD-DEM method in the reaction process simulation,which describes a polydisperse particle system with wide particle size *** at improving the simulation accuracy and efficiency,this paper will be helpful for simulating the particle reaction process in the gas-solid fluidized bed and beneficial for the development of the CFD-DEM method.

关键词： CFD-DEM Polydisperse particle Two-phase flow Fluidized bed

CFD-DEM simulation of high density particles fluidization behaviors in 3D conical spouted beds

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Particuology 2024年第5期88卷 266-281页

作者： Lin Jiang Mofan Qiu Rongzheng Liu Bing Liu Youlin Shao Malin Liu institute of Nuclear and new energy Technology Collaborative Innovation Center of Advanced Nuclear Energy TechnologyTsinghua UniversityBeijing 100084China

The spouted bed has been used in the coating process of high-density nuclear fuel *** particle fluidization behaviors in pseudo-2D and 3D spouted beds were simulated and *** effects of four independent variables(cone angle,particle density,inlet gas velocity,and particle loading)on particle fluidization behaviors in the 3D spouted bed were investigated *** cone angle effect on fluidization mechanism was studied quantitatively first time.A new fluidization quality index was proposed based on the particle entrainment principle,and an extreme value was obtained when the cone angle was 60°,considered to be the optimum value for the 3D conical spouted *** was indicated the gas–solid contact efficiency can be kept up if the gas velocity was proportional to ρ_(p)^(0.65) and N_(p)^(0.78) when the particle density or loading was *** results will be useful for geometry and operation parameters design of the 3D conical spouted bed and helpful for developing the fluidization mechanism of high-density particles.

关键词： Spouted bed High-density particle CFD-DEM Fluidization quality index Particle loading

Progress and industrialization development trends of the anaerobic digestion technologies for bio-natural gas

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International Journal of Agricultural and Biological Engineering 2024年第4期17卷 1-12页

作者： Hongguang Zhu Fulu Lu Fanghui Pan School of Mechanical Engineering Tongji UniversityShanghai 201804China Bio-energy Research Center Institute of New Rural DevelopmentTongji UniversityShanghai 201804China

The production of bio-natural gas through anaerobic digestion not only realize the resource utilization and harmless treatment of urban and rural organic wastes,but also reduce the emission of methane and carbon ***,as an independently industry,bio-natural gas has some prominent challenges compared to household biogas and small-scale biogas *** the healthy development of the bio-natural gas industry,system analysis and planning have become particularly *** study reviews the current development status of the bio-natural gas industry and innovatively analyzes the development direction of industry from a multidimensional *** opinions are provided based on system *** major technological breakthroughs that have supported the success of regional bio-natural gas industry are *** completeness of industrial technology,the objectivity of industrial regional development and the inevitability of the comprehensive benefits of the industrial chain are the major development direction of the bio-natural ***,according to the three major demands of new energy fuel,electricity and energy storage,two new energy systems based on bio-natural gas and the synergistic development of multiple new energy sources are *** study provides theoretical and practical guidance for the bio-natural gas industry.

关键词： bio-natural gas anaerobic digestion technological progress industrialization sustainable development

Nanocavity enriched CuPd alloy with high selectivity for CO_(2) electroreduction toward C_(2)H_(4)

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Rare Metals 2024年第4期43卷 1513-1523页

作者： Ze-Yu Zhang Hai-Bin Wang Fei-Fei Zhang Jing-Wei Li Xin-Zhuo Hu Si-Wei Yan Yi-Ming Bai Xun Zhang Gu-Rong Shen Peng-Fei Yin Jing Yang Cun-Ku Dong Jing Mao Hui Liu Xi-Wen Du institute of new-energy Materials School of Materials Science and EngineeringTianjin UniversityTianjin300350China

Electrocatalysis of CO_(2)reduction reaction is an effective way to convert CO_(2)into high value-added products,but the selectivity of Cu-based catalysts for C2+products needs to be improved due to the high energy barrier of C-C ***,a viable catalyst design strategy to decrease energy barrier of C-C coupling should be put ***,a nanocavity-enriched CuPd single atom alloy(CuPd SAA)catalyst is designed to promote CC coupling *** faradaic efficiency of CuPd SAA for ethylene and C_(2+)reaches 75.6%and 85.7%at-0.7 V versus reversible hydrogen electrode(RHE),*** on the results given by in situ characterization,the porous hollow structure dramatically increases the ratio of the linear-bond*CO,thus enhancing the faradaic efficiency for *** functional theory(DFT)calculation reveals that the Pd doping can regulate the electronic structure of neighboring Cu atoms to decrease the energy barrier of C-C coupling,further improving the faradaic *** work provides a new idea for designing catalyst with high selectivity for ethylene.

关键词： Adsorption configuration C-C coupling CO_(2) electrocatalysis Ethylene Single atom alloy

Research on Leading Edge Erosion and Aerodynamic Characteristics of Wind Turbine Blade Airfoil

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Fluid Dynamics & Materials Processing 2024年第9期20卷 2045-2058页

作者： Xin Guan Yuqi Xie Shuaijie Wang Mingyang Li Shiwei Wu School of new energy Shenyang Institute of EngineeringShenyang110136China

The effects of the erosion present on the leading edge of a wind turbine airfoil(DU 96-W-180)on its aerodynamic performances have been investigated numerically in the framework of a SST k–ωturbulence model based on the Reynolds Averaged Navier-Stokes equations(RANS).The results indicate that when sand-induced holes and small pits are involved as leading edge wear features,they have a minimal influence on the lift and drag coefficients of the ***,if delamination occurs in the same airfoil region,it significantly impacts the lift and resistance characteristics of the ***,as the angle of attack grows,there is a significant decrease in the lift coefficient accompanied by a sharp increase in the drag *** wear intensifies,these effects gradually ***,the leading edge wear can exacerbate flow separation near the trailing edge suction surface of the airfoil and cause forward displacement of the separation point.

关键词： Wind energy wind turbine erosion airfoil leading edge erosion characteristics aerodynamic performance numerical simulation

Effects of conductive agent type on lithium extraction from salt lake brine with LiFePO_(4) electrodes

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International Journal of Minerals,Metallurgy and Materials 2024年第4期31卷 678-687页

作者： Zhen Zhang Pan Luo Yan Zhang Yuhan Wang Li Liao Bo Yu Mingshan Wang Junchen Chen Bingshu Guo Xing Li School of new energy and Materials Southwest Petroleum UniversityChengdu 610500China energy Storage Research institute Southwest Petroleum UniversityChengdu 610500China

Electrochemical lithium extraction from salt lakes is an effective strategy for obtaining lithium at a low ***,the elevated Mg:Li ratio and the presence of numerous coexisting ions in salt lake brines give rise to challenges,such as prolonged lithium extraction periods,diminished lithium extraction efficiency,and considerable environmental *** this work,Li FePO4(LFP)served as the electrode material for electrochemical lithium *** conductive network in the LFP electrode was optimized by adjusting the type of conductive *** approach resulted in high lithium extraction efficiency and extended cycle *** the single conductive agent of acetylene black(AB)or multiwalled carbon nanotubes(MWCNTs)was replaced with the mixed conductive agent of AB/MWCNTs,the average diffusion coefficient of Li+in the electrode increased from 2.35×10^(-9)or 1.77×10^(-9)to 4.21×10^(-9)cm^(2)·s^(-1).At the current density of 20 mA·g^(-1),the average lithium extraction capacity per gram of LFP electrode increased from 30.36 mg with the single conductive agent(AB)to 35.62 mg with the mixed conductive agent(AB/MWCNTs).When the mixed conductive agent was used,the capacity retention of the electrode after 30 cycles reached 82.9%,which was considerably higher than the capacity retention of 65.8%obtained when the single AB was ***,the electrode with mixed conductive agent of AB/MWCNTs provided good cycling *** the conductive agent content decreased or the loading capacity increased,the electrode containing the mixed conductive agent continued to show excellent electrochemical ***,a self-designed,highly efficient,continuous lithium extraction device was *** electrode utilizing the AB/MWCNT mixed conductive agent maintained excellent adsorption capacity and cycling performance in this *** work provides a new perspective for the electrochemical extraction of lithium using LFP electrodes.

关键词： salt lake brine lithium extraction electrochemical lithium extraction conductive agent extraction efficiency adsorption capacity

Reversible Mn^(2+)/Mn^(4+)double-electron redox in P3-type layer-structured sodium-ion cathode

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Journal of energy Chemistry 2024年第2期89卷 79-88,I0004页

作者： Jie Zeng Jian Bao Ya Zhang Xun-Lu Li Cui Ma Rui-Jie Luo Chong-Yu Du Xuan Xu Zhe Mei Zhe Qian Yong-Ning Zhou Department of Materials Science Fudan UniversityShanghai 200433China Shanghai Xuanyi new energy development Co. LtdShanghai 201800China Global institute of Future Technology Shanghai Jiao Tong UniversityShanghai 200240China

The balance between cationic redox and oxygen redox in layer-structured cathode materials is an important issue for sodium batteries to obtain high energy density and considerable cycle *** redox can contribute extra capacity to increase energy density,but results in lattice instability and capacity fading caused by lattice oxygen gliding and oxygen *** this work,reversible Mn^(2+)/Mn^(4+)redox is realized in a P3-Na_(0.65)Li_(0.2)Co_(0.05)Mn_(0.75)O_(2)cathode material with high specific capacity and structure stability via Co *** contribution of oxygen redox is suppressed significantly by reversible Mn^(2+)/Mn^(4+)redox without sacrificing capacity,thus reducing lattice oxygen release and improving the structure *** X-ray techniques reveal that P3 phase is well maintained in a wide voltage window of 1.5-4.5 V ***^(+)/Na even at 10 C and after long-term *** is disclosed that charge compensation from Co/Mn-ions contributes to the voltage region below 4.2 V and O-ions contribute to the whole voltage *** synergistic contributions of Mn^(2+)/Mn^(4+),Co^(2+)/Co^(3+),and O^(2-)/(O_n)^(2-)redox in P3-Na_(0.65)Li_(0.2)Co_(0.05)Mn_(0.75)O_(2)lead to a high reversible capacity of 215.0 m A h g^(-1)at 0.1 C with considerable cycle *** strategy opens up new opportunities for the design of high capacity cathode materials for rechargeable batteries.

关键词： Sodium batteries Cathode materials Layered structure Co substitution