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Built defects of homogeneous junction to enhance the lithium storage capacity of niobium pentoxide materials

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Journal of energy Chemistry 2024年第5期92卷 730-737页

作者： Huibin Ding Yang Luo Zihan Song Cong Chen Kai Feng Xiaofei Yang Hongzhang Zhang Xianfeng Li division of energy storage National Laboratory for Clean EnergyDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023LiaoningChina University of Chinese Academy of Sciences Beijing 100049China College of Chemistry&Engineering Yantai UniversityYantai 264005ShandongChina

Niobium pentoxide(Nb_(2)O_(5))is deemed one of the promising anode materials for lithium-ion batteries(LIBs)for its outstanding intrinsic fast Li-(de)intercalation kinetics.The specific capacity,however,is still limited,because the(de)intercalation of excessive Li-ions brings the undesired stress to damage Nb_(2)O_(5) crystals.To increase the capacity of Nb_(2)O_(5) and alleviate the lattice distortion caused by stress,numerous homogeneous H-and M-phases junction interfaces were proposed to produce coercive stress within theNb_(2)O_(5)crystals.Such interfaces bring about rich oxygen vacancies with structural shrinkage tendency,which pre-generate coercive stress to resist the expansion stress caused by excessive Li-ions intercalation.Therefore,the synthesized Nb_(2)O_(5) achieves the highest lithium storage capacity of 315 mA h g−1 to date,and exhibits high-rate performance(118 mA h g^(-1) at 20 C)as well as excellent cycling stability(138 mA h g^(-1) at 10 C after 600 cycles).

关键词： Niobiumpent oxide Homojunction polycrystalline Defects Oxygen vacancy

Lignin-reinforced PVDF electrolyte for dendrite-free quasi-solid-state Li metal battery

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Rare Metals 2024年第3期43卷 1006-1016页

作者： Xin-Yang Chen Xue-Jie Gao Han-Yan Wu Yu-Long Liu Xiao-Fei Yang Run-Cang Sun Center for Lignocellulosic Chemistry and Biomaterials College of Light Industry and Chemical EngineeringDalian Polytechnic UniversityDalian116034China division of energy storage Dalian National Laboratory for Clean EnergyDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian116023China School of Chemistry Northeast Normal UniversityChangchun130024China

Quasi-solid-state lithium metal batteries(QSSLMBs)assembled with polyvinylidene fluoride(PVDF)are a promising class of next-generation rechargeable batteries due to their safety,high energy density,and superior interfacial properties.However,PVDF has a series of inherent drawbacks such as low ionic conductivity,ease of crystallization,and hydrophobic character that leading to poor cell properties.To tackle these issues,a lignin-reinforced PVDF electrolyte is proposed in this work to solve these drawbacks of PVDF and enhance the comprehensive performance of QSSBs.The lithophilic polar groups of lignin can promote uniform deposition of Li on the electrodes.Cooperating with the improved mechanical properties can efficiently prevent Li dendrites penetration through the separator.In addition,more active sites provided by lignin can also enhance Li^(+)transport and lead to a faster electrochemical reaction kinetic.Benefitting from the ingenious design,Li symmetric cells with 5%lignin-PVDF quasi-solid-state electrolyte can operate for 900 h at a high current density/capacity of 5 mA·cm^(-2)/5 mAh·cm^(-2),while shortcircuiting occurs after 56 h for the counterpart(pure PVDF).Moreover,a full cell of Li/5%lignin-PVDF/LFP cell demonstrates a high capacity of 96.2 mAh·g^(-1)after 2000 cycles at 10 C.This work is expected to open up promising opportunities to develop other high-energy/power-density QSSLMBs.

关键词： Quasi-solid-state electrolyte Lignin PVDF Dendrite-free Li metal battery

Experimental and computational optimization of Prussian blue analogues as high-performance cathodes for sodium-ion batteries:A review

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Journal of energy Chemistry 2024年第6期93卷 627-662,I0015页

作者： Gwangeon Oh Junghoon Kim Shivam Kansara Hyokyeong Kang Hun-Gi Jung Yang-Kook Sun Jang-Yeon Hwang Department of energy Engineering Hanyang UniversitySeoul 04763Republic of Korea energy storage Research Center Clean Energy Research DivisionKorea Institute of Science and TechnologySeoul 02792Republic of Korea Department of energy Science Sungkyunkwan UniversitySuwon 16419Republic of Korea KIST-SKKU Carbon-Neutral Research Center Sungkyunkwan UniversitySuwon 16419Republic of Korea Department of Battery Engineering Hanyang UniversitySeoul 04763Republic of Korea

In this review,we discuss the electrochemical properties of Prussian blue(PB)for Na^(+)storage by combining structural engineering and electrolyte modifications.We integrated experimental data and density functional theory(DFT)in sodium-ion battery(SIB)research to refine the atomic arrangements and crystal lattices and introduce substitutions and dopants.These changes affect the lattice stability,intercalation,electronic and ionic conductivities,and electrochemical performance.We unraveled the intricate structure-electrochemical behavior relationship by combining experimental data with computational models,including first-principles calculations.This holistic approach identified techniques for optimizing PB and Prussian blue analog(PBA)structu ral properties for SIBs.We also discuss the tuning of electrolytes by systematically adjusting their composition,concentration,and additives using a combination of molecular dynamics(MD)simulations and DFT computations.Our review offers a comprehensive assessment of strategies for enhancing the electrochemical properties of PB and PBAs through structural engineering and electrolyte modifications,combining experimental insights with advanced computational simulations,and paving the way for next-generation energy storage systems.

关键词： Prussian blue analogs(PBAs) Sodium ion batteries(SIBs) Structural engineering Electrolyte modifications Experiments Density functional theory(DFT)

Identifying Malaria Hotspots Regions in Ghana Using Bayesian Spatial and Spatiotemporal Models

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Infectious Diseases & Immunity 2024年第2期4卷 69-78页

作者： Abdul-Karim Iddrisu Dominic Otoo Gordon Hinneh Yakubu Dekongmene Kanyiri Kanimam Yaaba Samuel Cecilia Kubio Francis Balungnaa Dhari Veriegh Department of Mathematics and Statistics University of Energy and Natural ResourcesSunyani 233Ghana Department of Statistical Service Ghana Statistical ServiceBono RegionSunyani 233Ghana Department of Mathematics and ICT Gambaga College of EducationSunyani 233Ghana Human resources division University of Energy and Natural ResourcesSunyani 233Ghana Department of Biological Science University of Energy and Natural ResourcesSunyani 233Ghana.

Background:Malaria remains a significant public health concern in Ghana,with varying risk levels across different geographical areas.Malaria affects millions of people each year and imposes a substantial burden on the health care system and population.Accurate risk estimation and mapping are crucial for effectively allocating resources and implementing targeted interventions to identify regions with disease hotspots.This study aimed to identify regions exhibiting elevated malaria risk so that public health interventions can be implemented,and to identify malaria risk predictors that can be controlled as part of public health interventions for malaria control.Methods:The data on laboratory-confirmed malaria cases from 2015 to 2021 were obtained from the Ghana Health Service and Ghana Statistical Service.We studied the spatial and spatiotemporal patterns of the relative risk of malaria using Bayesian spatial and spatiotemporal models.The malaria risk for each region was mapped to visually identify regions with malaria hotspots.Clustering and heterogeneity of disease risks were established using correlated and uncorrelated structures via the conditional autoregressive and Gaussian models,respectively.Parameter estimates from the marginal posterior distribution were estimated within the Integrated Nested Laplace Approximation using the R software.Results:The spatial model indicated an increased risk of malaria in the North East,Bono East,Ahafo,Central,Upper West,Brong Ahafo,Ashanti,and Eastern regions.The spatiotemporal model results highlighted an elevated malaria risk in the North East,Upper West,Upper East,Savannah,Bono East,Central,Bono,and Ahafo regions.Both spatial and spatiotemporal models identified the North East,Upper West,Bono East,Central,and Ahafo Regions as hotspots for malaria risk.Substantial variations in risk were evident across regions(H=104.9,P<0.001).Although climatic and economic factors influenced malaria infection,statistical significance was not established.Conclusions:Malaria risk was cluste

关键词： Malaria Disease hotspot Bayesian modeling Conditional auto-regressive Integrated Nested Laplace Approximation Spatial and spatiotemporal models

New approach for particle size and shape analysis of iron-based oxygen carriers at multiple oxidation states

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Particuology 2024年第7期90卷 493-503页

作者： Victor Purnomo Marcelo Dal Belo Takehara Robin Faust Lidiya Abdisa Ejjeta Henrik Leion division of energy and Materials Department of Chemistry and Chemical EngineeringChalmers University of TechnologyGöteborg 41258Sweden division of energy Science Department of Engineering Sciences and MathematicsLuleåUniversity of TechnologyLuleå97187Sweden

One of the crucial issues in the chemical looping technology lies in its bed material:the oxygen carrier.Particle size analysis of an oxygen carrier is important since in a fluidized bed the material can only work well within a specific size range.While the favorable size ranges for oxygen carrier materials have already been reported,none of the published studies has analyzed the particle size and shape of oxygen carriers in detail.Furthermore,the effect of oxygen carriers'oxidation degree on such properties has not been considered either.This study aimed to report the particle size and shape analysis of five iron-based oxygen carriers,one natural ore,one synthetic material,and three residue products,at different oxidation degrees using dynamic image analysis(DIA).The oxygen carriers were prepared at different mass conversion degrees in a fluidized bed batch reactor.The size distribution,sphericity,and aspect ratio of the oxygen carrier particles were examined experimentally using a Camsizer instrument.Our results show that the DIA method was successfully able to analyze the particle size and shape of our oxygen carriers with satisfying accuracy for comparison.The oxidation state of the investigated materials seems to only affect the particle size and shape of oxygen carriers to a minor extent.However,exposures to redox cycles in a fluidized bed reactor may alter the particle size and shape of most oxygen carriers.

关键词： Oxygen carrier Size and shape analysis Dynamic image analysis Oxidation state Fluidized bed Chemical looping

Highly stable side-chain-type cardo poly(aryl ether ketone)s membranes for vanadium flow battery

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Chinese Chemical Letters 2024年第3期35卷 167-170页

作者： Ziming Zhao Qing Dai Sihan Huang Wenjing Lu Yaohan Chen Jifu Zheng Suobo Zhang Shenghai Li Xianfeng Li Key Laboratory of Polymer Ecomaterials Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China School of Applied Chemistry and Engineering University of Science and Technology of ChinaHefei 230026China division of energy storage Dalian National Laboratory for Clean EnergyDalian Institute of Chemical PhysicsChinese Academy of SciencesDalian 116023China

Vanadium flow batteries(VFBs)have drawn considerable attention as an emerging technology for largescale energy storage systems(ESSs).One of the pivotal challenges is the availability of eligible ion exchange membranes(ICMs)that provide high ion selectivity,proton conductivity,and stability under rigorous condition.Herein,a‘side-chain-type’strategy has been employed to fabricate highly stable phenolphthalein-based cardo poly(arylene ether ketone)s(PAEKs)membrane with low area resistance(0.058Ωcm^(2)),in which flexible alkyl spacers effectively alleviated inductive withdrawing effect from terminal ion exchange groups thus enabling a stable backbone.The assembled VFBs based on PAEKs bearing pendent alkyl chain terminated with quaternary ammonium(Q-PPhEK)demonstrated an energy efficiency above 80%over 700 cycles at 160 mA/cm^(2).Such a remarkable results revealed that the side-chain-type strategy contributed to enhancing the ICMs stability in strong oxidizing environment,meanwhile,more interesting backbones would be woken with this design engaging in stable ICMs for VFBs.

关键词： Vanadium flow battery energy storage technology Ion exchange membrane Ion transport mechanism Poly(arylene ether ketone)s(PAEKs)

The initial stages of Li_(2)O_(2) formation during oxygen reduction reaction in Li-O_(2) batteries:The significance of Li_(2)O_(2) in charge-transfer reactions within devices

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Journal of energy Chemistry 2024年第1期88卷 223-231,I0006页

作者： Daniela M.Josepetti Bianca P.Sousa Simone A.J.Rodrigues Renato G.Freitas Gustavo Doubek Advanced energy storage division LABCenter for Innovation on New EnergiesSchool of Chemical EngineeringUniversity of CampinasAv Albert Einstein 50013083-852CampinasSPBrazil Institute of Physics&Department of Chemistry Laboratory of Computational MaterialsFederal University of Mato Grosso78060-900CuiabáMTBrazil

Lithium-oxygen batteries are a promising technology because they can greatly surpass the energy density of lithium-ion batteries.However,this theoretical characteristic has not yet been converted into a real device with high cyclability.Problems with air contamination,metallic lithium reactivity,and complex discharge and charge reactions are the main issues for this technology.A fast and reversible oxygen reduction reaction(ORR)is crucial for good performance of secondary batteries',but the partial knowledge of its mechanisms,especially when devices are concerned,hinders further development.From this perspective,the present work uses operando Raman experiments and electrochemical impedance spectroscopy(EIS)to assess the first stages of the discharge processes in porous carbon electrodes,following their changes cycle by cycle at initial operation.A growth kinetic formation of the discharge product signal(Li_(2)O_(2))was observed with operando Raman,indicating a first-order reaction and enabling an analysis by a microkinetic model.The solution mechanism in the evaluated system was ascribed for an equivalent circuit with three time constants.While the time constant for the anode interface reveals to remain relatively constant after the first discharge,its surface seemed to be more non-uniform.The model indicated that the reaction occurs at the Li_(2)O_(2) surface,decreasing the associated resistance during the initial discharge phase.Furthermore,the growth of Li_(2)O_(2) forms a hetero-phase between Li_(2)O_(2)/electrolyte,while creating a more compact and homogeneous on the Li_(2)O_(2)/cathode surface.The methodology here described thus offers a way of directly probing changes in surface chemistry evolution during cycling from a device through EIS analysis.

关键词： Li-O_(2)battery Operando Raman analysis Equivalent circuit modeling Time-constant distribution

An Overview of Sequential Approximation in Topology Optimization of Continuum Structure

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Computer Modeling in Engineering & Sciences 2024年第4期139卷 43-67页

作者： Kai Long Ayesha Saeed Jinhua Zhang Yara Diaeldin Feiyu Lu Tao Tao Yuhua Li Pengwen Sun Jinshun Yan State Key Laboratory of Alternate Electrical Power Systemwith Renewable energy Sources North China Electric Power UniversityBeijing102206China Faculty of Materials and Manufacturing Beijing University of TechnologyBeijing100124China New energy and energy storage division China Southern Power Grid Technology Co.Ltd.Guangzhou510080China School of Mechanical Engineering Inner Mongolia University of TechnologyHohhot010051China College of energy and Power Engineering Inner Mongolia University of TechnologyHohhot010051China

This paper offers an extensive overview of the utilization of sequential approximate optimization approaches in the context of numerically simulated large-scale continuum structures.These structures,commonly encountered in engineering applications,often involve complex objective and constraint functions that cannot be readily expressed as explicit functions of the design variables.As a result,sequential approximation techniques have emerged as the preferred strategy for addressing a wide array of topology optimization challenges.Over the past several decades,topology optimization methods have been advanced remarkably and successfully applied to solve engineering problems incorporating diverse physical backgrounds.In comparison to the large-scale equation solution,sensitivity analysis,graphics post-processing,etc.,the progress of the sequential approximation functions and their corresponding optimizersmake sluggish progress.Researchers,particularly novices,pay special attention to their difficulties with a particular problem.Thus,this paper provides an overview of sequential approximation functions,related literature on topology optimization methods,and their applications.Starting from optimality criteria and sequential linear programming,the other sequential approximate optimizations are introduced by employing Taylor expansion and intervening variables.In addition,recent advancements have led to the emergence of approaches such as Augmented Lagrange,sequential approximate integer,and non-gradient approximation are also introduced.By highlighting real-world applications and case studies,the paper not only demonstrates the practical relevance of these methods but also underscores the need for continued exploration in this area.Furthermore,to provide a comprehensive overview,this paper offers several novel developments that aim to illuminate potential directions for future research.

关键词： Topology optimization sequential approximate optimization convex linearization method ofmoving asymptotes sequential quadratic programming

Protein-activated atomic layer deposition for robust crude-oil-repellent hierarchical nano-armored membranes

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Science Bulletin 2024年第2期69卷 218-226页

作者： Xiaobin Yang Pan Sun Yajie Wen Anil U.Mane Jeffrey W.Elam Jun Ma Shaomin Liu Seth B.Darling Lu Shao MIIT Key Laboratory of Critical Materials Technology for New energy Conversion and storage State Key Laboratory of Urban Water Resource and EnvironmentSchool of Chemistry and Chemical EngineeringHarbin Institute of TechnologyHarbin 150001China Chemical Sciences and Engineering division Argonne National LaboratoryLemont IL 60439USA Applied Materials division Argonne National LaboratoryLemont IL 60439USA Advanced Materials for energy-Water Systems energy Frontier Research Center Argonne National LaboratoryLemont IL 60439USA Pritzker School of Molecular Engineering University of ChicagoChicago IL 60637USA Department of Physics University of Ilinois at ChicagoChicago IL 60607USA School of Environment Harbin Institute of TechnologyHarbin 150090China WA School of Mines:Minerals Energy and Chemical EngineeringCurtin UniversityPerth WA 6845Australia

Atomic layer deposition(ALD)offers unique capabilities to fabricate atomically engineered porous materials with precise pore tuning and multi-functionalization for diverse applications like advanced membrane separations towards sustainable energy-water systems.However,current ALD technique is inhibited on most non-polar polymeric membranes due to lack of accessible nucleation sites.Here,we report a facile method to efficiently promote ALD coating on hydrophobic surface of polymeric membranes via novel protein activation/sensitization.As a proof of concept,TiO2 ALD-coated membranes activated by bovine serum albumin exhibit remarkable superhydrophilicity,ultralow underwater crude oil adhesion,and robust tolerance to rigorous environments including acid,alkali,saline,and ethanol.Most importantly,excellent cyclable crude oil-in-water emulsion separation performance can be achieved.The mechanism for activation/sensitization is rooted in reactivity for a particular set of amino acids.Furthermore,the universality of protein-sensitized ALD is demonstrated using common egg white,promising numerous potential usages in biomedical engineering,environmental remediation,lowcarbon manufacturing,catalysis,and beyond.

关键词： Membrane separation Atomic layer deposition Water treatment Antifouling