Machine learning in metal-ion battery research: Advancing material prediction, characterization, and status evaluation

Metal-ion batteries(MIBs),including alkali metal-ion(Li^(+),Na^(+),and K^(3)),multi-valent metal-ion(Zn^(2+),Mg^(2+),and Al^(3+)),metal-air,and metal-sulfur batteries,play an indispensable role in electrochemical energy storage.However,the performance of MIBs is significantly influenced by numerous variables,resulting in multi-dimensional and long-term challenges in the field of battery research and performance enhancement.Machine learning(ML),with its capability to solve intricate tasks and perform robust data processing,is now catalyzing a revolutionary transformation in the development of MIB materials and devices.In this review,we summarize the utilization of ML algorithms that have expedited research on MIBs over the past five years.We present an extensive overview of existing algorithms,elucidating their details,advantages,and limitations in various applications,which encompass electrode screening,material property prediction,electrolyte formulation design,electrode material characterization,manufacturing parameter optimization,and real-time battery status monitoring.Finally,we propose potential solutions and future directions for the application of ML in advancing MIB development.

The design and engineering strategies of metal tellurides for advanced metal-ion batteries

Owning various crystal structures and high theoretical capacity,metal tellurides are emerging as promising electrode materials for high-performance metal-ion batteries(MBs).Since metal telluride-based MBs are quite new,fundamental issues raise regarding the energy storage mechanism and other aspects affecting electrochemical performance.Severe volume expansion,low intrinsic conductivity and slow ion diffusion kinetics jeopardize the performance of metal tellurides,so that rational design and engineering are crucial to circumvent these disadvantages.Herein,this review provides an in-depth discussion of recent investigations and progresses of metal tellurides,beginning with a critical discussion on the energy storage mechanisms of metal tellurides in various MBs.In the following,recent design and engineering strategies of metal tellurides,including morphology engineering,compositing,defect engineering and heterostructure construction,for high-performance MBs are summarized.The primary focus is to present a comprehensive understanding of the structural evolution based on the mechanism and corresponding effects of dimension control,composition,electron configuration and structural complexity on the electrochemical performance.In closing,outlooks and prospects for future development of metal tellurides are proposed.This work also highlights the promising directions of design and engineering strategies of metal tellurides with high performance and low cost.

Application of deep learning for informatics aided design of electrode materials in metal-ion batteries

To develop emerging electrode materials and improve the performances of batteries,the machine learning techniques can provide insights to discover,design and develop battery new materials in high-throughput way.In this paper,two deep learning models are developed and trained with two feature groups extracted from the Materials Project datasets to predict the battery electrochemical performances including average voltage,specific capacity and specific energy.The deep learning models are trained with the multilayer perceptron as the core.The Bayesian optimization and Monte Carlo methods are applied to improve the prediction accuracy of models.Based on 10 types of ion batteries,the correlation coefficients are maintained above 0.9 compared to DFT calculation results and the mean absolute error of the prediction results for voltages of two models can reach 0.41 V and 0.20 V,respectively.The electrochemical performance prediction times for the two trained models on thousands of batteries are only 72.9 ms and 75.7 ms.Besides,the two deep learning models are applied to approach the screening of emerging electrode materials for sodium-ion and potassium-ion batteries.This work can contribute to a high-throughput computational method to accelerate the rational and fast materials discovery and design.

Two-dimensional organic cathode materials for alkali-metal-ion batteries

With the increasing demand for large-scale battery systems in electric vehicles（EVs） and smart renewable energy grids, organic materials including small molecules and polymers utilized as electrodes in rechargeable batteries have received increasing attraction. In recent years, two-dimensional（2D） organic materials possessing planar layered architecture exhibit optional chemical modification, high specific surface area as well as unique electrical/magnetic properties, which have been emerging as the promising functional materials for wide applications in optoelectronics, catalysis, sensing, etc. Integrating with high-density redox-active sites and hierarchical porous structure, significant achievements in 2D organic materials as cathode materials for alkali-metal-ion batteries have been witnessed. In this review, the recent progress in synthetic approaches, structure analyses, electrochemical characterizations of 2D organic materials as well as their application in alkali-metal-ion batteries containing lithium ion battery（LIB）, lithium sulfur battery（LSB）, lithium air battery（LAB） and sodium ion battery（SIB） are summarized systematically,and their current challenges including cycling stability and electron conductivity for cathode materials in battery fields are also discussed.

Determination of Some Heavy-metal-ions Using a Sulfur Ion Modified BZ Oscillating System

A highly sensitive method is developed for the determination of trace amounts of some heavy metal ions in aqueous solution based on the classical Belousov-Zhabotinskii （BZ） oscillating chemical system. Introducing of S^2- ion makes the new oscillating system Ce（SO4）2 - KBrO3 - CH2（COOH）2 - Na2S - H2SO4 have to a high sensitivity for some heavy metal ions such as Ag^＋, Pb^2＋, Hg^2＋, Cd^2＋, Cu^2＋and Bi^3＋ with detection limits down to 10^-12 mol·L^- 1

Design strategies for rechargeable aqueous metal-ion batteries

Rechargeable aqueous metal-ion batteries(AMBs)have attracted extensive scientific and commercial interest due to their potential for cost-effective,highly safe,and scalable stationary energy storage.However,their limited output voltage,inadequate energy density,and poor reversibility of ambiguous electrode reactions in aqueous electrolytes strongly limit their practical viability.This review aims to elucidate the challenges of existing AMBs from the material design to whole device applications.We summarize the emerging electrochemistry,fundamental properties,and key issues in interfacial behaviors of various classes of prevailing AMBs,including aqueous alkali metal-ion batteries and multivalent-ion batteries,and present an appraisal of recent advances for addressing the performance deficiency.Specifically,the progress of zinc-ion batteries is highlighted to provide a ubiquitous guideline for their commercialization in the grid-scale energy storage.Finally,we figure out the dominating general challenges for achieving high-performance AMBs,laying out a perspective for future breakthroughs.

Covalent organic frameworks as electrode materials for rechargeable metal-ion batteries

Covalent organic frameworks(COFs),as a class of crystalline porous polymers,featuring designable structures,tunable frameworks,well-defined channels,and tailorable functionalities,have emerged as promising organic electrode materials for rechargeable metal-ion batteries in recent years.Tremendous efforts have been devoted to improving the electrochemical performance of COFs.However,although significant achievements have been made,the electrochemical behaviors of developed COFs are far away from the desirable performance for practical batteries owing to intrinsic problems,such as poor electronic conductivity,the trade-off relationship between capacity and redox potential,and unfavorable micromorphology.In this review,the recent progress in the development of COFs for rechargeable metal-ion batteries is presented,including Li,Na,K,and Zn ion batteries.Various research strategies for improving the electrochemical performance of COFs are summarized in terms of the molecular-level design and the material-level modification.Finally,the major challenges and perspectives of COFs are also discussed in the aspect of large-scale production and electrochemical performance improvements.

Recent progress in COF-based electrode materials for rechargeable metal-ion batteries

Covalent organic frameworks(COFs)have emerged as promising electrode materials for rechargeable metal-ion batteries and have gained much attention in recent years due to their high specific surface area,inherent porosity,tunable molecular structure,robust framework,abundant active sites.Moreover,compared with inorganic materials and small organic molecules,COFs have the advantages of multi-electron transfer,short pathways,high cycling stability.Although great progress on COF-based electrodes has been made,the corresponding electrochemical performance is still far from satisfactory for practical applications.In this review,we first summarize the fundamental background of COFs,including the species of COFs(different active covalent bonds)and typical synthesis methods of COFs.Then,the key challenges and the latest research progress of COF-based cathodes and anodes for metal-ion batteries are reviewed,including Li-ion batteries,Na-ion batteries,K-ion batteries,Zn-ion batteries,et al.Moreover,the effective strategies to enhance electrochemical performance of COF-based electrodes are presented.Finally,this review also covers the typical superiorities of COFs used in energy devices,as well as providing some perspectives and outlooks in this field.We hope this review can provide fundamental guidance for the development of COFbased electrodes for metal-ion batteries in the further research.

Recent Advances in Covalent Organic Framework Electrode Materials for Alkali Metal-Ion Batteries

Owing to the shortcomings of traditional electrode materials in alkalimetal-ion batteries(AIBs),such as limited reversible specific capacity,low power density,and poor cycling performance,it is particularly important to develop new electrode materials.Covalent organic frameworks(COFs)are crystalline porous polymers that incorporate organic building blocks into their periodic structures through dynamic covalent bonds.COFs are superior to organic materials because of their high designability,regular channels,and stable topology.Since the first report of D_(TP)-A_(NDI)-COF as a cathode material for lithium-ion batteries in 2015,research on COF electrode materials has made continuous progress and breakthroughs.This review briefly introduces the characteristics and current challenges associated with COF electrode materials.Furthermore,we summarize the basic reaction types and active sites according to the categories of covalent bonds,including B–O,C=N,C–N,and C=C.Finally,we emphasize the perspectives on basic structure and morphology design,dimension and size design,and conductivity improvement of COFs based on the latest progress in AIBs.We believe that this review provides important guidelines for the development of high-efficiency COF electrode materials and devices for AIBs.

Carbon materials for metal-ion batteries

Metal-ion(Li-,Na-,Zn-,K-,Mg-,and Al-ion)batteries(MIBs)play an important role in realizing the goals of“emission peak and carbon neutralization”because of their green production techniques,lower pollution,high voltage,and large energy density.Carbon-based materials are indispensable for developing MIBs and are widely adopted as active or auxiliary materials in the anodes and cathodes.For example,carbon-based materials,includ-ing graphite,Si/C and hard carbon,have been used as anode materials for Li-and Na-ion batteries.Carbon can also be used as a conductive coating for cathodes,such as in LiFePO 4/C,to achieve better performance.In addition,as new high-valence MIBs(Zn-,Al-,and Mg-ion)have emerged,a growing number of novel carbon-based mate-rials have been utilized to construct high-performance MIBs.Herein,we discuss the recent development trends in advanced carbon-based materials for MIBs.The impact of the structure properties of advanced carbon-based materials on energy storage is addressed,and a perspective on their development is also proposed.

壳聚糖复合水凝胶的制备方法及在水处理中的应用

壳聚糖由于来源广、吸附性能强和可自然降解等优点成为备受关注的天然吸附剂。壳聚糖复合水凝胶(CCH)材料是以壳聚糖为主要原料,通过化学、物理等方法改性后得到的新型复合材料。介绍了化学交联、物理交联以及互穿网络等合成壳聚糖复合水凝胶的主要方法。综述了近年来使用CCH对工业废水中常见染料、重金属离子和其他常见污染物的吸附机理和处理效果,讨论了当前利用CCH在处理工业废水中各种污染物时存在的问题及解决方法。最后对CCH在合成方法、选择性吸附、回收利用和智能改性等方面进行了展望,为深入研究提高CCH材料性能及拓宽其在工业废水处理中的应用范围提供了思路。

二维MXene材料在太阳能电池和金属离子电池中的研究进展

MXene是一种新型二维材料,具有导电性高、表面官能团丰富、层间距和能带结构可调等特点,从而在新能源器件中拥有重要的研究价值。综述了MXene在太阳能电池和金属离子电池中应用的相关进展。在太阳能电池中,基于MXene高电导率、高透明度和功函数灵活可调的特点,讨论了其在电极和载流子传输层中的相关应用研究,并对MXene功函数调整的策略进行了总结。在金属离子电池中,基于MXene独特的二维层状结构、优异的力学性能和良好的导电性,讨论了MXene作为负极材料以及与碳纳米材料、金属氧化物和硅组成的复合材料对电化学性能的提升作用,并对MXene在正极材料、集流体以及隔膜中应用也进行了介绍。最后对MXene的下一步发展进行了展望。

淀粉基水凝胶St/CMC-g-PAA对Cu^(2+)的吸附性能研究

以玉米淀粉(St)、羧甲基纤维素钠(CMC)为原料,丙烯酸(AA)为接枝单体,通过接枝和交联反应合成了淀粉基水凝胶St/CMC-g-PAA。考察了投药量、pH、Cu^(2+)初始浓度(ρ0)、吸附时间对吸附效果的影响。结果表明,当ρ0=40 mg/L,投药量为300 mg/L,pH=5.2时,Cu^(2+)的去除率可达92.7%。实验数据拟合结果表明,水凝胶对Cu^(2+)的吸附过程符合Langmuir吸附模型和准二级动力学模型,属于单分子层的化学吸附过程。在25℃时,水凝胶对Cu^(2+)的饱和吸附容量qm=142.86 mg/g。水凝胶再生性能较好,经过4次吸附-脱附循环后,Cu^(2+)去除率仍可达到82.1%。

基于电化学生物传感器的重金属离子检测研究进展

电化学生物传感器是基于抗原抗体、酶、核酸适配体、蛋白质、细胞等各种生物成分建立的电化学方法,由于这些生物成分具有强的特异性,决定了电化学生物传感器具有高选择性。同时该方法还具有便捷快速、灵敏、操作简单等优点,已经被广泛应用于污染物重金属离子的检测,并具有良好的应用前景。本文综述了近年来基于各种生物成分的电化学生物传感器在重金属离子检测中的应用,并对该领域未来的发展趋势做了展望。

改性松浦支渠疏浚底泥吸附重金属离子的研究

中国河流每年产生大量的疏浚底泥,大量堆积不仅占用土地资源,而且对环境还有很大的影响。底泥的二次利用显得尤为重要,基于以废制废的原则,提高底泥资源化利用的价值,以松花江松浦支渠疏浚底泥为目标,对其进行资源利用。首先以丙烯酸、富马酸为原料,以过硫酸铵为引发剂制备聚AA-FA,以磷酸氢二钠中和制得聚AA-FA磷酸盐。利用聚AA-FA磷酸盐对热解的疏浚底泥进行改性,制备得到聚AA-FA改性松浦支渠疏浚底泥。研究发现聚AA-FA改性松浦支渠疏浚底泥对于重金属离子具有较强的吸附作用。在添加量质量分数为9%时脱除离子的能力最高可达到99%,脱除不同离子的能力由大到小顺序为Ni^(2+)、Pb^(2+)、Cr^(3+)。

基于光谱特征的多重金属离子与DOM结合特性

通过淬灭滴定实验,文章采用同步荧光光谱和傅里叶红外光谱(FTIR)结合二维相关光谱分析,探究Cu^(2+)和Cd^(2+)多重离子与溶解态有机质(DOM)结合特性。研究结果表明,(1)DOM与Cu^(2+)和Cd^(2+)结合稳定常数(lg KM)分别为4.75~5.18和3.71~4.12,Cu^(2+)与DOM的结合能力要强于Cd^(2+)。(2)Cd^(2+)浓度为0和100μmol/L时,DOM点位与Cu^(2+)的结合顺序均为430~500 nm>330~420 nm,且Cd^(2+)存在时Cu^(2+)与DOM的lg KM为4.56~4.95。对比结果表明Cd^(2+)的存在并未影响DOM点位与Cu^(2+)的结合顺序,但减弱了DOM与Cu^(2+)的结合能力。(3)FTIR结果表明,Cd^(2+)浓度为0和100μmol/L时DOM官能团与Cu^(2+)结合顺序依次为酚类C-O>酰胺N-H>酰胺C=O>羧基C=O>芳香族C-H>多糖C-O和酰胺N-H>酰胺C=O>酚类C-O>芳香族C-H>多糖C-O。Cd^(2+)与酚类C-O结合后影响了Cu^(2+)与DOM中酚类C-O和羧基C=O官能团的结合。水环境中多重金属离子共存时的生物有效性和生态风险应受到关注。

纳米材料在食品重金属离子快速检测中的应用研究进展

纳米材料因具有比表面积大、良好稳定性、特殊的结构、易于修饰、良好的生物相容性等优点,已被广泛应用于食品中重金属离子检测领域。文章重点综述了碳纳米管、石墨烯、碳量子点、金属有机骨架、纳米酶等纳米材料在食品中重金属离子检测方面的研究与应用现状,并展望了纳米材料在食品中重金属离子检测领域面临的挑战和应用前景。

基于荧光素的高选择性Hg^(2+)荧光探针的合成及其光谱性质研究

以荧光素、水合肼及费舍尔氏醛制备了一种新颖的Hg^(2+)荧光探针,其分子结构通过核磁及质谱进行了表征。该探针在金属离子中能够特异性识别Hg^(2+),可应用于对Hg^(2+)的检测。在生命科学及环境科学领域对于Hg^(2+)的准确、快速的实时监测备受关注,本研究在此方面具有潜在的应用价值。

Ti_(3)C_(2)T_(x)超薄纳米片高效率去除废水中重金属的研究

通过刻蚀剥离法制备了Ti_(3)C_(2)T_(x)超薄纳米片,探究了其对废水中重金属离子的吸附特性。通过SEM、XRD、AFM、FT-IR、Raman对Ti_(3)C_(2)T_(x)超薄纳米片的形貌和结构进行了表征,通过ICP-MS对处理前后水体中重金属离子的含量进行了测试。结果表明剥离的Ti_(3)C_(2)T_(x)超薄纳米片表面含有结构缺陷和羟基,当水体中Cu(Ⅱ)、Pb(Ⅱ)、Cr(Ⅵ)初始浓度为50 mg/L时,47.5 mg Ti_(3)C_(2)T_(x)超薄纳米片对其的去除效率高达90%以上,尤其是对Pb(Ⅱ)的去除效率达到了98.81%,吸附性能远高于大孔树脂、硅藻土和活性炭等常见吸附试剂。在Na(Ⅰ)、Cu(Ⅱ)、Pb(Ⅱ)、Cr(Ⅵ)4种离子共存溶液中,Ti_(3)C_(2)T_(x)超薄纳米片对于Pb(Ⅱ)和Cr(Ⅵ)的去除依然可以达到92%以上。通过动力学和吸附等温拟合,Ti_(3)C_(2)T_(x)纳米片对Pb(Ⅱ)的吸附符合拟二级动力学模型和Langmuir等温模型,对Pb(Ⅱ)的最大吸附量和最低检出限分别为81.7 mg/g和0.0094 mg/L。Ti_(3)C_(2)T_(x)超薄纳米片对重金属离子的吸附特性在化学工业、食品加工的废水处理中具有良好的应用前景。

不同螯合剂对褐煤中金属离子浸出效果的实验研究

螯合剂种类的不同,其对金属离子浸出效果也存在差异,为分析螯合剂对贵州地区褐煤中金属离子的浸出效果,选取ASDA,DTPA,IDS和GLDA等共4种螯合剂,开展了浸出效果对比实验,利用电感耦合等离子体质谱仪(ICP)和扫描电子显微镜(SEM)对实验结果进行了表征。结果表明:螯合剂能够将煤体中矿物质解络为游离态,煤体表面孔隙呈现从微孔、小孔向大孔变化的趋势,煤体表面矿物质呈现颗粒数量减少、颗粒体积变小、颗粒形态圆润的特点;ASDA对该煤样中Mg,Al,Fe,Ca,Cu离子具有最佳浸出效果,DTPA对K,Pb离子具有最佳浸出效果。