Fluoridation routes,function mechanism and application of fluorinated/fluorine-doped nanocarbon-based materials for various batteries:A review

With the popularity and widespread applications of electronics,higher demands are being placed on the performance of battery materials.Due to the large difference in electronegativity between fluorine and carbon atoms,doping fluorine atoms in nanocarbon-based materials is considered an effective way to improve the performance of used battery.However,there is still a blank in the systematic review of the mechanism and research progress of fluorine-doped nanostructured carbon materials in various batteries.In this review,the synthetic routes of fluorinated/fluorine-doped nanocarbon-based(CF_x)materials under different fluorine sources and the function mechanism of CF_x in various batteries are reviewed in detail.Subsequently,judging from the dependence between the structure and electrochemical performance of nanocarbon sources,the progress of CF_x based on different dimensions(0D–3D)for primary battery applications is reviewed and the balance between energy density and power density is critically discussed.In addition,the roles of CF_x materials in secondary batteries and their current applications in recent years are summarized in detail to illustrate the effect of introducing F atoms.Finally,we envisage the prospect of CF_x materials and offer some insights and recommendations to facilitate the further exploration of CF_x materials for various high-performance battery applications.

Germanium-Carbdiyne: A 3D Well-Defined sp-Hybridized Carbon-Based Material with Superhigh Li Storage Property

Carbyne delivers various excellent properties for the existence of the larger number of sp-hybridized carbon atoms.Here,a 3D well-defined porous carbon material germanium-carbdiyne(Ge-CDY)which is comprised of only sp-hybridized carbon atoms bridging by Ge atoms has been developed and investigated.The unique diamond-like structure constructed by linear butadiyne bonds and sp 3-hybridized Ge atoms ensures the stability of Ge-CDY.The large percentage of conjugated alkyne bonds composed of sp-C guarantees the good conductivity and the low band gap,which were further confirmed experimentally and theoretically,endowing Ge-CDY with the potential in electrochemical applications.The well-defined 3D carbon skeleton of Ge-CDY provides abundant uniform nanopores,which is suitable for metal ions storage and diffusion.Further half-cell evaluation also demonstrated Ge-CDY exhibited an excellent performance in lithium storage.All those indicating sp-hybridized carbon-based materials can exhibit great potential to possess excellent properties and be applied in the field of energy,electronic,and so on.

Specializing liquid electrolytes and carbon-based materials in EDLCs for low-temperature applications

Electric double-layer capacitors(EDLCs) are emerging technologies to meet the ever-increasing demand for sustainable energy storage devices and systems in the 21 st Century owing to their advantages such as long lifetime, fast charging speed and environmentally-friendly nature, which play a critical part in satisfying the demand of electronic devices and systems. Although it is generally accepted that EDLCs are suitable for working at low temperatures down to-40℃, there is a lack of comprehensive review to summarize the quantified performance of EDLCs when they are subjected to low-temperature environments. The rapid and growing demand for high-performance EDLCs for auxiliary power systems in the aeronautic and aerospace industries has triggered the urge to extend their operating temperature range,especially at temperatures below-40℃. This article presents an overview of EDLC’s performance and their challenges at extremely low temperatures including the capability of storing a considerable amount of electrical energy and maintaining long-term stability. The selection of electrolytes and electrode materials is crucial to the performance of EDLCs operating at a desired low-temperature range. Strategies to improve EDLC’s performance at extremely low temperatures are discussed, followed by the future perspectives to motivate more future studies to be conducted in this area.

Enhancing the cycling stability of Na-ion batteries by bonding MoS2 on assembled carbon-based materials

Room temperature Na-ion batteries(SIBs) show great potential for use as renewable energy storage systems.However, the large-scale application of SIBs has been hindered by the lack of an ideal SIBs anode material. We synthesized MoS2 on carbonized graphene-chitosan(G-C) using the hydrothermal method. The strong interaction between the MoS2 and the G-C greatly improved the electron transport rate and maintained the structural stability of the electrode, which lead to both an excellent rate capability and long cycle stability. The G-C monolith was proven to enhance the electrical conductivity of the composites and served as a matrix for uniformly dispersing active MoS2 nanosheets(NSs), as well as being a buffer material to adapt to changes in volume during the cycle.Serving as an anode material for SIBs, the MoS2-G-C electrode showed good cycling stability(527.3mAh g-1 at100 m A g-1 after 200 cycles), excellent rate capability, and a long cycle life(439.1 m Ah g-1 at 1 A g-1 after 200 cycles).

A New Type of Multielements-Doped,Carbon-based Materials Characterized by High-thermoconductiv-ity,Low Chemical Sputtering,Low RES Yield and Exposure to Plasma

Low-Z materials, such as carbon-based materials and Be, are major plasma-facing material (PFM) for current, even in future fusion devices. In this paper, a new type of multielement-doped carbon-based materials developed are presented along with experimental re-sults of their properties. The results indicate a decrease in chemical sputtering yield by one order of magnitude, a decrease in both thermal shock resistance and radiation-enhanced sublimation, an evidently lower temperature desorption spectrum, and combined properties of exposing to plasma.

Carbon-based materials with combined functions of thermal management and electromagnetic protection: Preparation, mechanisms, properties, and applications

The proliferation of high-power,highly informationized,and highly integrated electronic devices and weapons equipment has given rise to increasingly conspicuous issues about electromagnetic(EM)pollution and thermal accumulation.These issues,in turn,impose constraints on the performance of such equipment and jeopardize personnel safety.Carbon materials,owing to their diverse and modifiable structures,offer adjustable thermal and electric conductivity,rendering them highly promising for applications in fields such as thermal management and EM protection which have garnered extensive research and review.The pursuit of integrated device and equipment development has elevated the demand for multifunctional materials,prompting significant research into carbon-based composite materials that include both thermal management and EM protection functionalities.Notably,there are no relevant reviews on this topic at present.Consequently,this work consolidates research findings from recent years on carbon matrix composites exhibiting dual attributes of thermal management and EM protection.These attributes include thermally conductive electromagnetic interference(EMI)shielding materials,thermally insulating EMI shielding materials,thermally conductive EM wave(EMW)absorbing materials,and thermally insulating EMW absorbing materials.The paper elucidates the fundamental principles underpinning thermal conduction,thermal insulation,EMW absorbing,and EMI shielding.Additionally,it engages in discussions surrounding areas of contention,design strategies,and the functional properties of various material designs.Ultimately,the paper concludes by presenting the challenges encountered and potential research strategies about composites endowed with both thermal management and EM protection functionalities,while also envisaging the development of novel multifunctional EM protection materials.

Porous 3D carbon-based materials:An emerging platform for efficient hydrogen production

Due to their unique properties and uninterrupted breakthrough in a myriad of clean energy-related applications,carbon-based materials have received great interest.However,the low selectivity and poor conductivity are two primary difficulties of traditional carbon-based materials(zero-dimensional(0D)/one-dimensional(1D)/two-dimensional(2D)),enerating inefficient hydrogen production and impeding the future commercialization of carbon-based materials.To improve hydrogen production,attempts are made to enlarge the surface area of porous three-dimensional(3D)carbon-based materials,achieve uniform interconnected porous channels,and enhance their stability,especially under extreme conditions.In this review,the structural advantages and performance improvements of porous carbon nanotubes(CNTs),g-C_(3)N_(4),covalent organic frameworks(COFs),metal-organic frameworks(MOFs),MXenes,and biomass-derived carbon-based materials are firstly summarized,followed by discussing the mechanisms involved and assessing the performance of the main hydrogen production methods.These include,for example,photo/electrocatalytic hydrogen production,release from methanolysis of sodium borohydride,methane decomposition,and pyrolysis-gasification.The role that the active sites of porous carbon-based materials play in promoting charge transport,and enhancing electrical conductivity and stability,in a hydrogen production process is discussed.The current challenges and future directions are also discussed to provide guidelines for the development of next-generation high-efficiency hydrogen 3D porous carbon-based materials prospected.

Electrospinning-derived functional carbon-based materials for energy conversion and storage

The over-exploitation of fossil fuel energy has brought about serious environmental problems.It would be of great significance to construct efficient energy conversion and storage system to maximize utilize renewable energy,which contributes to reducing environmental hazards.For the past few years,in terms of electrocatalysis and energy storage,carbon fiber materials show great advantages due to its outstanding electrical conductivity,good flexibility and mechanical property.As a simple and low-cost technique,electrospinning can be employed to prepare various nanofibers.It is noted that the functional fiber materials with different special structure and composition can be obtained for energy conversion and storage by combining electrospinning with other post-processing.In this paper,the structural design,controllable synthesis and multifunctional applications of electrospinning-derived functional carbon-based materials(EFCMs)is reviewed.Firstly,we briefly introduce the history,basic principle and typical equipment of electrospinning.Then we discuss the strategies for preparing EFCMs with different structures and composition in detail.In addition,we show recently the application of advanced EFCMs in energy conversion and storage,such as nitrogen species reduction reaction,CO_(2) reduction reaction,oxygen reduction reaction,water-splitting,supercapacitors and ion batteries.In the end,we propose some perspectives on the future development direction of EFCMs.

Carbon-based materials for electrochemical dechlorination

Electrochemical dechlorination reaction(EDR)is a promising,environmentally friendly,and economically profitable technology for treating chlorinated organic pollutants.For efficient environmental protection,electrocatalysts with high stability and low cost are of extremely significance to the development of EDR technology.Carbon-based materials have aroused broad interest as electrocatalysts for many electrochemical reactions due to their characteristics including large specific surface area,controllable structure,good conductivity,and chemical stability.For EDR,the carbon-based materials also show many unique superiorities,like strong adsorption capacity to chlorinated organic compounds(COCs),excellent catalytic activity and stability,and environmental compatibility.This review starts with a detailed summary on the mechanisms of electrochemical dechlorination(direct and indirect electron transfer pathway)and factors affecting the effectiveness of EDR.Then the paper comprehensively overviews the current progresses of carbon-based materials for EDR of COCs,following their two major application scenarios,i.e.,directly as electrocatalysts and as advanced supports for other catalysts.Moreover,the formation of different active sites in carbon-based electrocatalysts and their EDR activities are analyzed.Finally,the current challenges and perspectives in this field are discussed.This review will provide an in-depth understanding for the design of advanced carbon-based materials and promote the development of EDR technology.

Insights into carbon-based materials for catalytic dehydrogenation of low-carbon alkanes and ethylbenzene

Direct dehydrogenation with high selectivity and oxidative dehydrogenation with low thermal limit has been regarded as promising methods to solve the increasing demands of light olefins and styrene.Metalbased catalysts have shown remarkable performance for these reactions,such as Pt,CrOx,Co,ZrOx,Zn and V.Compared with metal-based catalysts,carbon materials with stable structure,rich pore texture and large surface area,are ideal platforms as the catalysts and the supports for dehydrogenation reactions.In this review,carbon materials applied in direct dehydrogenation and oxidative dehydrogenation reactions including ordered mesoporous carbon,carbon nanodiamond,carbon nanotubes,graphene and activated carbon,are summarized.A general introduction to the dehydrogenation mechanism and active sites of carbon catalysts is briefly presented to provide a deep understanding of the carbon-based materials used in dehydrogenation reactions.The unique structure of each carbon material is presented,and the diversified synthesis methods of carbon catalysts are clarified.The approaches for promoting the catalytic activity of carbon catalysts are elaborated with respect to preparation method optimization,suitable structure design and heteroatom doping.The regeneration mechanism of carbon-based catalysts is discussed for providing guidance on catalytic performance enhancement.In addition,carbon materials as the support of metal-based catalysts contribute to exploiting the excellent catalytic performance of catalysts due to superior structural characteristics.In the end,the challenges in current research and strategies for future improvements are proposed.

Advanced carbon-based materials for Na,K,and Zn ion hybrid capacitors

Developing electrochemical energy storage devices with high energy and power densities,long cycling life,as well as low cost is of great significance.Hybrid metal-ion capacitors(MICs),commonly consisting of high energy battery-type anodes and high power capacitor-type cathodes,have become a trade-off between batteries and supercapacitors.Tremendous efforts have been devoted to searching for high-performance electrode materials due to poor rate capability of anodes,low capacity of cathodes,and interior sluggish kinetic match.Carbon materials with large surface area,good electrical conductivity and stability have been considered to be ideal candidates for electrodes of MICs.In this review,the advanced carbon materials directly as cathodes and anodes of MICs are systematically summarized.Then,the key structural/chemical factors including the structure engineering,porous characteristics,and heteroatom incorporation for improving electrochemical performance of carbon materials are highlighted.Additionally,the challenges and opportunities for future research on carbon materials in MICs are also proposed.

Recent progress in carbon-based materials boosting electrochemical water splitting

As environmental crises such as global warming become more and more serious due to the large amount of carbon dioxide emitted by the burning of fossil fuels,much attention has been paid to carbon neutrality.Hydrogen,with zero carbon content,is a clean and renewable energy carrier having a large energy density.It is considered as one of the most desirable alternatives to fossil fuels.Electrochemical water splitting,unlike the steam reforming process accelerating fossil fuels depletion and CO_(2) emissions,can produce H_(2) powered by renewable energy such as solar or wind.As a promising way to promote carbon neutralization,hydrogen production by electrolysis of water is meaningful both in terms of scientific research and practical application.In order to drive electrochemical water splitting with low power consumption,efficient,durable and affordable electrocatalysts with low overpotentials are in urgent need.Therefore,this mini-review briefly introduces the current development status and mainstream obstacles of carbon-based materials used in electrochemical water splitting.

Recent Progress in Carbon-based Materials of Non-Noble Metal Catalysts for ORR in Acidic Environment

Proton exchange membrane fuel cell(PEMFC)has important implications for the success of clean transportation in the future.One of the key factors affecting the cost and performance of PEMFC is the cathode electrocatalyst for the oxygen reduction reaction(ORR)to overcome sluggish kinetics and instability in an acidic environment.As an essential component of the electrocatalyst,the support material largely determines the activity,mass transfer,charge transfer,and durability of the electrocatalyst.Thereby,the support material plays a critical role in the overall performance of the electrocatalyst.Carbonbased materials are widely used as electrocatalyst supports because of their high porosity,conductivity,chemical stability,and tunable morphology.Recently,some new carbon-based materials with excellent structure have been introduced,such as carbon nanotubes,carbon nanowires,graphene,metal-organic framework(MOF)-derived carbon,and biomass-derived carbon materials.Combined with a variety of strategies,such as controllable construction of porous structures and surface defects,proper doping heteroatoms,the ingenious design of model electrocatalysts,and predictive theoretical calculation,a new reliable path was provided for further improving the performance of electrocatalysts and exploring the catalytic mechanism.Based on the topic of carbon-based materials for ORR in acidic medium,this review summarizes the up-to-date progress and breakthroughs,highlights the factors affecting the catalytic activity and stability of ORR electrocatalysts in acids,and discusses their future application and development.

Photo-rechargeable batteries and supercapacitors:Critical roles of carbon-based functional materials

As a clean and renewable energy source,solar energy is a competitive alternative to replace conventional fossil fuels.Nevertheless,its serious fluctuating nature usually leads to a poor alignment with the actual energy demand.To solve this problem,the direct solar-to-electrochemical energy conversion and storage have been regarded as a feasible strategy.In this context,the development of high-performance integrated devices based on solar energy conversion parts(i.e.,solar cells or photoelectrodes)and electrochemical energy storage units(i.e.,rechargeable batteries or supercapacitors[SCs])has become increasingly necessary and urgent,in which carbon and carbon-based functional materials play a fundamental role in determining their energy conversion/storage performances.Herein,we summarize the latest progress on these integrated devices for solar electricity energy conversion and storage,with special emphasis on the critical role of carbon-based functional materials.First,principles of integrated devices are introduced,especially roles of carbon-based materials in these hybrid energy devices.Then,two major types of important integrated devices,including photovoltaic and photoelectrochemicalrechargeable batteries or SCs,are discussed in detail.Finally,key challenges and opportunities in the future development are also discussed.By this review,we hope to pave an avenue toward the development of stable and efficient devices for solar energy conversion and storage.

人工智能背景下Materials Project数据库在计算材料学课程教学中的应用

该文探讨了在人工智能背景下,Materials Project数据库在计算材料学课程教学中的应用和影响。Materials Project数据库是一个集成了AI和大数据技术的开放获取的材料库,能为学生提供海量的材料晶体结构和物性数据,使教学内容更为丰富,让学生能通过亲自操作获取和分析数据,深入理解微观结构与物性之间的关系。这一新兴的教学模式不仅提升了学生的科研能力和创新思维能力,还有助于培养具备计算材料专业知识和多学科交叉的复合型人才。总体来说,人工智能时代下,大数据的引入为计算材料学课程带来新的活力,并对未来教育改革和实践产生了积极影响。

Multi-Material Topology Optimization for Spatial-Varying Porous Structures

This paper aims to propose a topology optimization method on generating porous structures comprising multiple materials.The mathematical optimization formulation is established under the constraints of individual volume fraction of constituent phase or total mass,as well as the local volume fraction of all phases.The original optimization problem with numerous constraints is converted into a box-constrained optimization problem by incorporating all constraints to the augmented Lagrangian function,avoiding the parameter dependence in the conventional aggregation process.Furthermore,the local volume percentage can be precisely satisfied.The effects including the globalmass bound,the influence radius and local volume percentage on final designs are exploited through numerical examples.The numerical results also reveal that porous structures keep a balance between the bulk design and periodic design in terms of the resulting compliance.All results,including those for irregular structures andmultiple volume fraction constraints,demonstrate that the proposedmethod can provide an efficient solution for multiple material infill structures.

Valorization of Camellia oleifera oil processing byproducts to value-added chemicals and biobased materials: A critical review

The C.oleifera oil processing industry generates large amounts of solid wastes,including C.oleifera shell(COS)and C.oleifera cake(COC).Distinct from generally acknowledged lignocellulosic biomass(corn stover,bamboo,birch,etc.),Camellia wastes contain diverse bioactive substances in addition to the abundant lignocellulosic components,and thus,the biorefinery utilization of C.oleifera processing byproducts involves complicated processing technologies.This reviewfirst summarizes various technologies for extracting and converting the main components in C.oleifera oil processing byproducts into value-added chemicals and biobased materials,as well as their potential applications.Microwave,ultrasound,and Soxhlet extractions are compared for the extraction of functional bioactive components(tannin,flavonoid,saponin,etc.),while solvothermal conversion and pyrolysis are discussed for the conversion of lignocellulosic components into value-added chemicals.The application areas of these chemicals according to their properties are introduced in detail,including utilizing antioxidant and anti-in-flammatory properties of the bioactive substances for the specific application,as well as drop-in chemicals for the substitution of unrenewable fossil fuel-derived products.In addition to chemical production,biochar fabricated from COS and its applications in thefields of adsorption,supercapacitor,soil remediation and wood composites are comprehensively reviewed and discussed.Finally,based on the compositions and structural characteristics of C.oleifera byproducts,the development of full-component valorization strategies and the expansion of the appli-cationfields are proposed.

Actively tuning anisotropic light-matter interaction in biaxial hyperbolic materialα-MoO_(3) using phase change material VO_(2) and graphene

Anisotropic hyperbolic phonon polaritons(PhPs)in natural biaxial hyperbolic materialα-MoO_(3) has opened up new avenues for mid-infrared nanophotonics,while active tunability ofα-MoO_(3) PhPs is still an urgent problem necessarily to be solved.In this study,we present a theoretical demonstration of actively tuningα-MoO_(3) PhPs using phase change material VO_(2) and graphene.It is observed thatα-MoO_(3) PhPs are greatly dependent on the propagation plane angle of PhPs.The insulator-to-metal phase transition of VO_(2) has a significant effect on the hybridization PhPs of theα-MoO_(3)/VO_(2) structure and allows to obtain actively tunableα-MoO_(3) PhPs,which is especially obvious when the propagation plane angle of PhPs is 900.Moreover,when graphene surface plasmon sources are placed at the top or bottom ofα-MoO_(3) inα-MoO_(3)/VO_(2)structure,tunable coupled hyperbolic plasmon-phonon polaritons inside its Reststrahlen bands(RB s)and surface plasmonphonon polaritons outside its RBs can be achieved.In addition,the above-mentionedα-MoO_(3)-based structures also lead to actively tunable anisotropic spontaneous emission(SE)enhancement.This study may be beneficial for realization of active tunability of both PhPs and SE ofα-MoO_(3),and facilitate a deeper understanding of the mechanisms of anisotropic light-matter interaction inα-MoO_(3) using functional materials.

Emerging two-dimensional Mo-based materials for rechargeable metal-ion batteries:Advances and perspectives

With the rapid development of rechargeable metal-ion batteries(MIBs)with safety,stability and high energy density,significant efforts have been devoted to exploring high-performance electrode materials.In recent years,two-dimensional(2D)molybdenum-based(Mo-based)materials have drawn considerable attention due to their exceptional characteristics,including low cost,unique crystal structure,high theoretical capacity and controllable chemical compositions.However,like other transition metal compounds,Mo-based materials are facing thorny challenges to overcome,such as slow electron/ion transfer kinetics and substantial volume changes during the charge and discharge processes.In this review,we summarize the recent progress in developing emerging 2D Mo-based electrode materials for MIBs,encompassing oxides,sulfides,selenides,carbides.After introducing the crystal structure and common synthesis methods,this review sheds light on the charge storage mechanism of several 2D Mo-based materials by various advanced characterization techniques.The latest achievements in utilizing 2D Mo-based materials as electrode materials for various MIBs(including lithium-ion batteries(LIBs),sodium-ion batteries(SIBs)and zinc-ion batteries(ZIBs))are discussed in detail.Afterwards,the modulation strategies for enhancing the electrochemical performance of 2D Mo-based materials are highlighted,focusing on heteroatom doping,vacancies creation,composite coupling engineering and nanostructure design.Finally,we present the existing challenges and future research directions for 2D Mo-based materials to realize high-performance energy storage systems.

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.