Non-renewable fossil fuels have led to serious problems such as global warming,environmental pollution,etc.Oxygen electrocatalysis including oxygen reduction reaction(ORR)and oxygen evolution reaction(OER)plays a cent...Non-renewable fossil fuels have led to serious problems such as global warming,environmental pollution,etc.Oxygen electrocatalysis including oxygen reduction reaction(ORR)and oxygen evolution reaction(OER)plays a central role in clean energy conversion,enabling a number of sustainable processes for future air battery technologies.Fluorine,as the most electronegative element(4.0)not only can induce more efficient regulation for the electronic structure,but also can bring more abundant defects and other novel effects in materials selection and preparation for favorable catalysis with respect to the other nonmetal elements.However,an individual and comprehensive overview of fluorine-containing functional materials for oxygen electrocatalysis field is still blank.Therefore,it is very meaningful to review the recent progresses of fluorine-containing oxygen electrocatalysts.In this review,we first systematically summarize the controllable preparation methods and their possible development directions based on fluorine-containing materials from four preparation methods.Due to the strong electron-withdrawing properties of fluorine,its control of the electronic structure can effectively enhance the oxygen electrocatalytic activity of the materials.In addition,the catalytic enhancement effect of fluorine on carbonbased materials also includes the prevent oxidation and the layer peeling,and realizes the precise atomic control.And the catalytic improvement mechanism of fluorine containing metal-based compounds also includes the hydration of metal site,the crystal transformation,and the oxygen vacancy induction.Then,based on their various dimensions(0D–3D),we also have summarized the advantages of different morphologies on oxygen electrocatalytic performances.Finally,the prospects and possible future researching direction of F-containing oxygen electrocatalysts are presented(e.g.,novel pathways,advanced methods for measurement and simulation,field assistance and multi-functions).The review is considered valuable and helpful in exploring the novel designs and mechanism analyses of advanced fluorine-containing electrocatalysts.展开更多
The integration of organic and inorganic materials has been widely used in various applications to generate novel functional nanomaterials characterized by unique properties.Functional crystalline framework nanosheets...The integration of organic and inorganic materials has been widely used in various applications to generate novel functional nanomaterials characterized by unique properties.Functional crystalline framework nanosheets and their synergistic effects have been studied recently for possessing the advantages of functional species as well as crystalline framework nanosheets.Hence,we have focused on the preparation methods and applications of functional crystalline framework nanosheets in this review.We introduced crystalline framework nanosheets and discussed the importance of integrating functional species with nanosheets to form functional crystalline framework nanosheets.Then,two aspects of the preparation methods of functional crystalline framework nanosheets were reviewed:in situ synthesis and post-synthesis modification.Subsequently,we discussed the properties of the crystalline framework nanosheets combined with various functional species and summarized their applications in catalysis,sensing,separation,and energy storage.Finally,we have shared our insights on the challenges of functional crystalline framework nanosheets,hoping to contribute to the knowledge base for optimizing the preparation methods,expanding categories,improving stability,and exploring potential applications.展开更多
Micro/nanostructured crystals with controlled architectures are desirable for many applications in optics, electronics, biology, medicine, and energy conversions. Low-temperature, aqueous chemical routes have been wid...Micro/nanostructured crystals with controlled architectures are desirable for many applications in optics, electronics, biology, medicine, and energy conversions. Low-temperature, aqueous chemical routes have been widely investigated for the synthesis of particles, and arrays of oriented nanorods and nanotubes. In this paper, based on the ideal crystal shapes predicted by the chemical bonding theory, we have developed some potential chemical strategies to tune the microstructure of functional materials, ZnS and Nb205 nanotube arrays, MgO wiskers and nestlike spheres, and cubic phase Cu2O microcrystals were synthesized here to elucidate these strategies. We describe their controlled crystallization processes and illustrate the detailed key factors controlling their growth by examining various reaction parameters. Current results demonstrate that our designed chemical strategies for tuning microstructure of functional materials are applicable to several technologically important materials, and therefore may be used as a versatile and effective route to the controllable synthesis of other inorganic functional materials.展开更多
Between the two major arsenic-containing salts in natural water, arsenite(As(Ⅲ)) is far more harmful to human and the environment than arsenate(As(V)) due to its high toxicity and transportability. Therefore, preoxid...Between the two major arsenic-containing salts in natural water, arsenite(As(Ⅲ)) is far more harmful to human and the environment than arsenate(As(V)) due to its high toxicity and transportability. Therefore, preoxidation of As(Ⅲ) to As(V) is considered to be an effective means to reduce the toxicity of arsenic and to promote the removal efficiency of arsenic. Due to their high catalytic activity and arsenic affinity, iron-based functional materials can quickly oxidize As(Ⅲ) to As(V) in heterogeneous Fenton-like systems, and then remove As(V) from water through adsorption and surface coprecipitation. In this review, the effects of different iron-based functional materials such as zero-valent iron and iron(hydroxy) oxides on arsenic removal are compared, and the catalytic oxidation mechanism of As(Ⅲ) in heterogeneous Fenton process is further clarified. Finally, the main challenges and opportunities faced by iron-based As(Ⅲ) oxidation functional materials are prospected.展开更多
1 Introduction Magnesium salts are very important by-product of salt lake industry in West China.Nearly 200 million cubic meters of waste brine are released to the environment
High-throughput computational materials design provides one efficient solution to accelerate the discovery and development of functional materials. Its core concept is to build a large quantum materials repository and...High-throughput computational materials design provides one efficient solution to accelerate the discovery and development of functional materials. Its core concept is to build a large quantum materials repository and to search for target materials with desired properties via appropriate materials descriptors in a high-throughput fashion, which shares the same idea with the materials genome approach. This article reviews recent progress of discovering and developing new functional materials using high-throughput computational materials design approach. Emphasis is placed on the rational design of high-throughput screening procedure and the development of appropriate materials descriptors, concentrating on the electronic and magnetic properties of functional materials for various types of industrial applications in nanoelectronics.展开更多
In this review,the application of light ion irradiation is discussed for tailoring novel functional materials and for improving the performance in SiC or Si based electrical power devices.The deep traps and electronic...In this review,the application of light ion irradiation is discussed for tailoring novel functional materials and for improving the performance in SiC or Si based electrical power devices.The deep traps and electronic disorder produced by light ion irradiation can modify the electrical,magnetic,and optical properties of films(e.g.,dilute ferromagnetic semiconductors and topological materials).Additionally,benefiting from the high reproducibility,precise manipulation of functional depth and density of defects,as well as the flexible patternability,the helium or proton ion irradiation has been successfully employed in improving the dynamic performance of SiC and Si based PiN diode power devices by reducing their majority carrier lifetime,although the static performance is sacrificed due to deep level traps.Such a trade-off has been regarded as the key point to compromise the static and dynamic performances of power devices.As a result,herein the light ion irradiation is highlighted in both exploring new physics and optimizing the performance in functional materials and electrical devices.展开更多
A brief introduction of the connotation and characteristics of metal functional materials was presented. The current research and development of several important materials and the difference between home and world ad...A brief introduction of the connotation and characteristics of metal functional materials was presented. The current research and development of several important materials and the difference between home and world advanced level were described. The latest trend of research and development was discussed. The industrialization and market for several new metal functional materials were commented and some opinions also were given.展开更多
1. RE Permanent Materials Chinese demand for RE permanent magnets increases at 20% per year. The output of sintered NdFeB magnets will reach 70,000 tons in 2010, 75% of the world total, with sales value of RMB $26 bil...1. RE Permanent Materials Chinese demand for RE permanent magnets increases at 20% per year. The output of sintered NdFeB magnets will reach 70,000 tons in 2010, 75% of the world total, with sales value of RMB $26 billion. 2. RE Catalyst展开更多
Layered intercalated functional materials of layered double hydroxide type are an important class of functional materials developed in recent years. Based on long term studies on these materials in the State Key Labor...Layered intercalated functional materials of layered double hydroxide type are an important class of functional materials developed in recent years. Based on long term studies on these materials in the State Key Laboratory of Chemical Resource Engineering in Beiiing University of Chemical Technology, the orinciole for the design of controlled intercalation processes in the light of tuture production processing requirements has been developed. Intercalation assembly methods and technologies have been invented to control the intercalation process for preparing layered intercalated materials with various structures and functions.展开更多
The mechanism of chloride ion penetration in high performance concrete was analy zed. The experimental results indicate that there are two important reasons that influence the anti-chloride penetration of high perfor...The mechanism of chloride ion penetration in high performance concrete was analy zed. The experimental results indicate that there are two important reasons that influence the anti-chloride penetration of high performance concrete. One is the function effect of mineral functional material, so that it increases conc rete's capability to resist chloride ion penetration. The other is combined acti on of mineral functional material's original capability of binding the chloride ion (physical adsorption) and physicochemical adsorption after hydration.展开更多
Microbial fuel cells(MFCs),as a sustainable and promising technology to solve both environmental pollution and energy shortage,have captured tremendous attention.The conversion efficiency of chemical energy contained ...Microbial fuel cells(MFCs),as a sustainable and promising technology to solve both environmental pollution and energy shortage,have captured tremendous attention.The conversion efficiency of chemical energy contained in organic waste or wastewater to electricity via microbial metabolism strongly depends on the performance of each functional unit,including the anode,cathode and separator/membrane used in MFCs.Therefore,significant attention has been paid toward developing advanced functional materials to enhance the performance of each unit or provide new featured functions.This review paper provides a comprehensive review on recent achievements and advances in the modification and development of functional materials for MFC systems,including 1)the development of functional anode materials for enhanced microbial compatibilities as well as electron transfer capabilities,2)the development of cost-effective separators/membranes such as ion exchange membrane,porous membrane,polymer electrolyte membrane and composite membrane,and 3)the development of functional cathode catalysts to decrease the over-potential and enhance the electrocatalytic efficiency for oxygen reduction reaction in order to substitute the common costly Pt catalyst.The challenges and outlooks of functional materials for MFC applications are also discussed.展开更多
The stable sub-angstrom resolution of the aberration-corrected scanning transmission electron microscope(ACSTEM)makes it an advanced and practical characterization technique for all materials.Owing to the prosperous a...The stable sub-angstrom resolution of the aberration-corrected scanning transmission electron microscope(ACSTEM)makes it an advanced and practical characterization technique for all materials.Owing to the prosperous advancement in computational technology,specialized software and programs have emerged as potent facilitators across the entirety of electron microscopy characterization process.Utilizing advanced image processing algorithms promotes the rectification of image distortions,concurrently elevating the overall image quality to superior standards.Extracting high-resolution,pixel-level discrete information and converting it into atomic-scale,followed by performing statistical calculations on the physical matters of interest through quantitative analysis,represent an effective strategy to maximize the value of electron microscope images.The efficacious utilization of quantitative analysis of electron microscope images has become a progressively prominent consideration for materials scientists and electron microscopy researchers.This article offers a concise overview of the pivotal procedures in quantitative analysis and summarizes the computational methodologies involved from three perspectives:contrast,lattice and strain,as well as atomic displacements and polarization.It further elaborates on practical applications of these methods in electronic functional materials,notably in piezoelectrics/ferroelectrics and thermoelectrics.It emphasizes the indispensable role of quantitative analysis in fundamental theoretical research,elucidating the structure–property correlations in high-performance systems,and guiding synthesis strategies.展开更多
An active area of MGI(Materials Genome Initiative)/MGE(Materials Genome Engineering)is to accelerate the development of new materials by means of active learning and“digital trial-error”using a prediction model of m...An active area of MGI(Materials Genome Initiative)/MGE(Materials Genome Engineering)is to accelerate the development of new materials by means of active learning and“digital trial-error”using a prediction model of material property.Machine learning methods have widely been employed for predicting crystalline materials properties with crystal graph neural networks(CGNN).The prediction accuracy of the state-of-the-art(SOTA)CGNN models based on big models and big data is generally higher.However,for the development of some classes of materials,the datasets obtained by experiments are usually lacking due to costly experiments and measurement costs.The lack of datasets will impact the accuracy of CGNN models and may result in overfitting during training models.This paper proposes a simplified crystal graph convolutional neural network(S-CGCNN)which possesses higher prediction accuracy while reducing the vast amount of train datasets and computation costs.The S-CGCNN model has successfully predicted properties of crystalline materials,such as piezoelectric materials and dielectric materials,and increased the prediction accuracy up to 12%-20%than existing SOTA CGNN models.Furthermore,the distribution map between properties and compositions of materials has been built to screen the latent space of candidate materials efficiently by principal component analysis.展开更多
In this paper, the isogeometric analysis (IGA) is employed to develop an acoustic radiation model for a double plate-acoustic cavity coupling system, with a focus on analyzing the sound transmission loss (STL). The fu...In this paper, the isogeometric analysis (IGA) is employed to develop an acoustic radiation model for a double plate-acoustic cavity coupling system, with a focus on analyzing the sound transmission loss (STL). The functionally graded (FG) plate exhibits a different material properties in-plane, and the power-law rule is adopted as the governing principle for material mixing. To validate the harmonic response and demonstrate the accuracy and convergence of the isogeometric modeling, ANASYS is utilized to compare with numerical examples. A plane wave serves as the acoustic excitation, and the Rayleigh integral is applied to discretize the radiated plate. The STL results are compared with the literature, confirming the reliability of the coupling system. Finally, the investigation is conducted to study impact of cavity depth and power-law parameter on the STL.展开更多
As the most abundant natural polymer material on the earth,cellulose is a promising sustainable sensing material due to its high mechanical strength,excellent biocompatibility,good degrada-tion,and regeneration abilit...As the most abundant natural polymer material on the earth,cellulose is a promising sustainable sensing material due to its high mechanical strength,excellent biocompatibility,good degrada-tion,and regeneration ability.Considering the inherent advantages of cellulose and the success of modern sensors,applying cellulose to sensors has always been the subject of considerable investigation,and significant progress has been made in recent decades.Herein,we reviewed the research progress of cellulose functional materials(CFMs)in recent years.According to the different sources of cellulose,the classification and preparation methods for the design and func-tionalization of cellulose were summarized with the emphasis on the relationship between their structure and properties.Besides,the applications of advanced sensors based on CFMs in recent years were also discussed.Finally,the potential challenges and prospects of the development of sensor based on CFMs were outlined.展开更多
Additive manufacturing(AM)technology makes parts through layer-by-layer deposition,which can regulate the microstructure and properties of different parts of a single part well.It provides a new idea for the preparati...Additive manufacturing(AM)technology makes parts through layer-by-layer deposition,which can regulate the microstructure and properties of different parts of a single part well.It provides a new idea for the preparation of functionally gradient materials(FGM),and has become a research hotspot at present.By referring to and analyzing the recent research achievements in the additive manufacturing tech-nology of FGM,the latest research progress at domestic and abroad from four aspects were summaried:selective laser melting additive man-ufacturing,electron beam additive manufacturing,arc additive manufacturing,path planning,and material texture.Moreover,the existing problems in the research are pointed out,and the future research direction and focus are prospected.展开更多
Atmospheric water,as one of the most abundant natural resources on Earth,has attracted huge research interest in the field of water harvesting and energy harvesting and conversion owing its environmental friendliness ...Atmospheric water,as one of the most abundant natural resources on Earth,has attracted huge research interest in the field of water harvesting and energy harvesting and conversion owing its environmental friendliness and easy access.The developments of new materials have seen advanced technologies that can extract water and energy out of this long-neglected resource,suggesting a promising and sustainable approach to address the water and energy crises over the world.Carbon-based functional materials have been considered to be indispensable materials for atmospheric water utilization due to their large surface area,excellent adsorption performance,and higher surface activity.In this review,first,we analyze the interaction between carbon-based functional materials and atmospheric water molecular.Then,technologies developed in recent years for atmospheric water utilization based on carbon-based functional materials are reviewed,mainly focusing on atmospheric water harvesting,moisture-enabled electricity generation,and moisture-responsive actuation.Finally,the remaining challenges and some tentative suggestions possibly guiding developments are proposed,which may pave a way for a bright future of carbon-based functional material in the utilization of atmospheric water.展开更多
By summarizing the composition,classification,and performance characterization of functional adhesive materials,the adhesion mechanisms of functional adhesive materials,such as adsorption/surface reaction,diffusion,me...By summarizing the composition,classification,and performance characterization of functional adhesive materials,the adhesion mechanisms of functional adhesive materials,such as adsorption/surface reaction,diffusion,mechanical interlocking,and electrostatic adsorption,are expounded.The research status of these materials in oil and gas drilling and production engineering field such as lost circulation prevention/control,wellbore stabilization,hydraulic fracturing,and profile control and water plugging,and their application challenges and prospects in oil and gas drilling and production are introduced comprehensively.According to the applications of functional adhesive materials in the field of oil and gas drilling and production at this stage,the key research directions of functional adhesive materials in the area of oil and gas drilling and production are proposed:(1)blending and modifying thermoplastic resins or designing curable thermoplastic resins to improve the bonding performance and pressure bearing capacity of adhesive lost circulation materials;(2)introducing low-cost adhesive groups and positive charge structures into polymers to reduce the cost of wellbore strengthening agents and improve their adhesion performance on the wellbore;(3)introducing thermally reversible covalent bond into thermosetting resin to prevent backflow of proppant and improve the compressive strength of adhesive proppant;(4)introducing thermally reversible covalent bonds into thermoplastic polymers to improve the temperature resistance,salt-resistance and water shutoff performance of adhesive water shutoff agents.展开更多
This study proposes an effective method to enhance the accuracy of the Differential Quadrature Method(DQM)for calculating the dynamic characteristics of functionally graded beams by improving the form of discrete node...This study proposes an effective method to enhance the accuracy of the Differential Quadrature Method(DQM)for calculating the dynamic characteristics of functionally graded beams by improving the form of discrete node distribution.Firstly,based on the first-order shear deformation theory,the governing equation of free vibration of a functionally graded beam is transformed into the eigenvalue problem of ordinary differential equations with respect to beam axial displacement,transverse displacement,and cross-sectional rotation angle by considering the effects of shear deformation and rotational inertia of the beam cross-section.Then,ignoring the shear deformation of the beam section and only considering the effect of the rotational inertia of the section,the governing equation of the beam is transformed into the eigenvalue problem of ordinary differential equations with respect to beam transverse displacement.Based on the differential quadrature method theory,the eigenvalue problem of ordinary differential equations is transformed into the eigenvalue problem of standard generalized algebraic equations.Finally,the first several natural frequencies of the beam can be calculated.The feasibility and accuracy of the improved DQM are verified using the finite element method(FEM)and combined with the results of relevant literature.展开更多
基金supported by the National Natural Science Foundation of China,China(52203066,51973157,51673148 and 51678411)the Science and Technology Plans of Tianjin,China(19PTSYJC00010)+3 种基金China Postdoctoral Science Foundation Grant,China(2019M651047)the Tianjin Research Innovation Project for Postgraduate Students,China(2020YJSB062)the Tianjin Municipal College Student’Innovation And Entrepreneurship Training Program,China(202110058052)the National Innovation and Entrepreneurship Training Program for College Students,China(202110058017)。
文摘Non-renewable fossil fuels have led to serious problems such as global warming,environmental pollution,etc.Oxygen electrocatalysis including oxygen reduction reaction(ORR)and oxygen evolution reaction(OER)plays a central role in clean energy conversion,enabling a number of sustainable processes for future air battery technologies.Fluorine,as the most electronegative element(4.0)not only can induce more efficient regulation for the electronic structure,but also can bring more abundant defects and other novel effects in materials selection and preparation for favorable catalysis with respect to the other nonmetal elements.However,an individual and comprehensive overview of fluorine-containing functional materials for oxygen electrocatalysis field is still blank.Therefore,it is very meaningful to review the recent progresses of fluorine-containing oxygen electrocatalysts.In this review,we first systematically summarize the controllable preparation methods and their possible development directions based on fluorine-containing materials from four preparation methods.Due to the strong electron-withdrawing properties of fluorine,its control of the electronic structure can effectively enhance the oxygen electrocatalytic activity of the materials.In addition,the catalytic enhancement effect of fluorine on carbonbased materials also includes the prevent oxidation and the layer peeling,and realizes the precise atomic control.And the catalytic improvement mechanism of fluorine containing metal-based compounds also includes the hydration of metal site,the crystal transformation,and the oxygen vacancy induction.Then,based on their various dimensions(0D–3D),we also have summarized the advantages of different morphologies on oxygen electrocatalytic performances.Finally,the prospects and possible future researching direction of F-containing oxygen electrocatalysts are presented(e.g.,novel pathways,advanced methods for measurement and simulation,field assistance and multi-functions).The review is considered valuable and helpful in exploring the novel designs and mechanism analyses of advanced fluorine-containing electrocatalysts.
基金financially supported by the National Natural Science Foundation of China (Nos.21727808,21971114,21908105,and 22205100)the Jiangsu Provincial Funds for Natural Science Foundation (No.BK20200090)。
文摘The integration of organic and inorganic materials has been widely used in various applications to generate novel functional nanomaterials characterized by unique properties.Functional crystalline framework nanosheets and their synergistic effects have been studied recently for possessing the advantages of functional species as well as crystalline framework nanosheets.Hence,we have focused on the preparation methods and applications of functional crystalline framework nanosheets in this review.We introduced crystalline framework nanosheets and discussed the importance of integrating functional species with nanosheets to form functional crystalline framework nanosheets.Then,two aspects of the preparation methods of functional crystalline framework nanosheets were reviewed:in situ synthesis and post-synthesis modification.Subsequently,we discussed the properties of the crystalline framework nanosheets combined with various functional species and summarized their applications in catalysis,sensing,separation,and energy storage.Finally,we have shared our insights on the challenges of functional crystalline framework nanosheets,hoping to contribute to the knowledge base for optimizing the preparation methods,expanding categories,improving stability,and exploring potential applications.
基金the financial support of the program for the New Century Excellent Talents in University(Grant No.NCET-05-0278)the National Natural Science Foundation of China(Grant No.20471012)+1 种基金the Foundation for the Author of National Excellent Doctoral Dissertation of China(Grant No.200322)the Research Fund for the Doctoral Program of Higher Education(Grant No.20040141004).
文摘Micro/nanostructured crystals with controlled architectures are desirable for many applications in optics, electronics, biology, medicine, and energy conversions. Low-temperature, aqueous chemical routes have been widely investigated for the synthesis of particles, and arrays of oriented nanorods and nanotubes. In this paper, based on the ideal crystal shapes predicted by the chemical bonding theory, we have developed some potential chemical strategies to tune the microstructure of functional materials, ZnS and Nb205 nanotube arrays, MgO wiskers and nestlike spheres, and cubic phase Cu2O microcrystals were synthesized here to elucidate these strategies. We describe their controlled crystallization processes and illustrate the detailed key factors controlling their growth by examining various reaction parameters. Current results demonstrate that our designed chemical strategies for tuning microstructure of functional materials are applicable to several technologically important materials, and therefore may be used as a versatile and effective route to the controllable synthesis of other inorganic functional materials.
基金financially supported by the National Science Fund for Excellent Young Scholars of China (No. 52022111)the Distinguished Young Scholars of China (No. 51825403)the National Natural Science Foundation of China (Nos. 51634010, 51974379)。
文摘Between the two major arsenic-containing salts in natural water, arsenite(As(Ⅲ)) is far more harmful to human and the environment than arsenate(As(V)) due to its high toxicity and transportability. Therefore, preoxidation of As(Ⅲ) to As(V) is considered to be an effective means to reduce the toxicity of arsenic and to promote the removal efficiency of arsenic. Due to their high catalytic activity and arsenic affinity, iron-based functional materials can quickly oxidize As(Ⅲ) to As(V) in heterogeneous Fenton-like systems, and then remove As(V) from water through adsorption and surface coprecipitation. In this review, the effects of different iron-based functional materials such as zero-valent iron and iron(hydroxy) oxides on arsenic removal are compared, and the catalytic oxidation mechanism of As(Ⅲ) in heterogeneous Fenton process is further clarified. Finally, the main challenges and opportunities faced by iron-based As(Ⅲ) oxidation functional materials are prospected.
基金supported by the National Natural Science Foundationthe National Key Technologies R&D Program (2011BAE28B01)the 863 Program (2013AA032501)
文摘1 Introduction Magnesium salts are very important by-product of salt lake industry in West China.Nearly 200 million cubic meters of waste brine are released to the environment
基金support by National Science Foundation under award number ACI-1550404American Chemical Society Petroleum Research Fund under the award number 55481-DNI6+1 种基金Global Research Outreach(GRO)Program of Samsung Advanced Institute of Technology under the award number 20164974the Vannevar Bush Faculty Fellowship program sponsored by the Basic Research Office of the Assistant Secretary of Defense for Research and Engineering under the Office of Naval Research grant N00014-16-1-2569
文摘High-throughput computational materials design provides one efficient solution to accelerate the discovery and development of functional materials. Its core concept is to build a large quantum materials repository and to search for target materials with desired properties via appropriate materials descriptors in a high-throughput fashion, which shares the same idea with the materials genome approach. This article reviews recent progress of discovering and developing new functional materials using high-throughput computational materials design approach. Emphasis is placed on the rational design of high-throughput screening procedure and the development of appropriate materials descriptors, concentrating on the electronic and magnetic properties of functional materials for various types of industrial applications in nanoelectronics.
基金This work was supported by Key-Area Research and Development Program of Guangdong Province(No.2019B 010132001)This work was also partially funded by Guangdong Basic and Applied Basic Research Foundation(2020A1515110891).
文摘In this review,the application of light ion irradiation is discussed for tailoring novel functional materials and for improving the performance in SiC or Si based electrical power devices.The deep traps and electronic disorder produced by light ion irradiation can modify the electrical,magnetic,and optical properties of films(e.g.,dilute ferromagnetic semiconductors and topological materials).Additionally,benefiting from the high reproducibility,precise manipulation of functional depth and density of defects,as well as the flexible patternability,the helium or proton ion irradiation has been successfully employed in improving the dynamic performance of SiC and Si based PiN diode power devices by reducing their majority carrier lifetime,although the static performance is sacrificed due to deep level traps.Such a trade-off has been regarded as the key point to compromise the static and dynamic performances of power devices.As a result,herein the light ion irradiation is highlighted in both exploring new physics and optimizing the performance in functional materials and electrical devices.
文摘A brief introduction of the connotation and characteristics of metal functional materials was presented. The current research and development of several important materials and the difference between home and world advanced level were described. The latest trend of research and development was discussed. The industrialization and market for several new metal functional materials were commented and some opinions also were given.
文摘1. RE Permanent Materials Chinese demand for RE permanent magnets increases at 20% per year. The output of sintered NdFeB magnets will reach 70,000 tons in 2010, 75% of the world total, with sales value of RMB $26 billion. 2. RE Catalyst
基金Supported by the National Key Technologies R&D Program (2011BAE28B01) and the National Natural Science Foundation of China (21276016).
文摘Layered intercalated functional materials of layered double hydroxide type are an important class of functional materials developed in recent years. Based on long term studies on these materials in the State Key Laboratory of Chemical Resource Engineering in Beiiing University of Chemical Technology, the orinciole for the design of controlled intercalation processes in the light of tuture production processing requirements has been developed. Intercalation assembly methods and technologies have been invented to control the intercalation process for preparing layered intercalated materials with various structures and functions.
基金Funded by the Country Project of Tacking Key Problem for Fif teen Plan(No.2001BA307B05 08)
文摘The mechanism of chloride ion penetration in high performance concrete was analy zed. The experimental results indicate that there are two important reasons that influence the anti-chloride penetration of high performance concrete. One is the function effect of mineral functional material, so that it increases conc rete's capability to resist chloride ion penetration. The other is combined acti on of mineral functional material's original capability of binding the chloride ion (physical adsorption) and physicochemical adsorption after hydration.
基金supported jointly by Natural Science Foundation of China(51878309)National Key Research and Development Program of China(2018YFC1900105).
文摘Microbial fuel cells(MFCs),as a sustainable and promising technology to solve both environmental pollution and energy shortage,have captured tremendous attention.The conversion efficiency of chemical energy contained in organic waste or wastewater to electricity via microbial metabolism strongly depends on the performance of each functional unit,including the anode,cathode and separator/membrane used in MFCs.Therefore,significant attention has been paid toward developing advanced functional materials to enhance the performance of each unit or provide new featured functions.This review paper provides a comprehensive review on recent achievements and advances in the modification and development of functional materials for MFC systems,including 1)the development of functional anode materials for enhanced microbial compatibilities as well as electron transfer capabilities,2)the development of cost-effective separators/membranes such as ion exchange membrane,porous membrane,polymer electrolyte membrane and composite membrane,and 3)the development of functional cathode catalysts to decrease the over-potential and enhance the electrocatalytic efficiency for oxygen reduction reaction in order to substitute the common costly Pt catalyst.The challenges and outlooks of functional materials for MFC applications are also discussed.
基金Project supported by the financial support from the National Key R&D Program of China(Grant No.2021YFB3201100)the National Natural Science Foundation of China(Grant No.52172128)the Top Young Talents Programme of Xi’an Jiaotong University.
文摘The stable sub-angstrom resolution of the aberration-corrected scanning transmission electron microscope(ACSTEM)makes it an advanced and practical characterization technique for all materials.Owing to the prosperous advancement in computational technology,specialized software and programs have emerged as potent facilitators across the entirety of electron microscopy characterization process.Utilizing advanced image processing algorithms promotes the rectification of image distortions,concurrently elevating the overall image quality to superior standards.Extracting high-resolution,pixel-level discrete information and converting it into atomic-scale,followed by performing statistical calculations on the physical matters of interest through quantitative analysis,represent an effective strategy to maximize the value of electron microscope images.The efficacious utilization of quantitative analysis of electron microscope images has become a progressively prominent consideration for materials scientists and electron microscopy researchers.This article offers a concise overview of the pivotal procedures in quantitative analysis and summarizes the computational methodologies involved from three perspectives:contrast,lattice and strain,as well as atomic displacements and polarization.It further elaborates on practical applications of these methods in electronic functional materials,notably in piezoelectrics/ferroelectrics and thermoelectrics.It emphasizes the indispensable role of quantitative analysis in fundamental theoretical research,elucidating the structure–property correlations in high-performance systems,and guiding synthesis strategies.
基金supported by the National Natural Science Foundation of China(No.52175284)the State Key Lab of Advanced Metals and Materials in University of Science and Technology Beijing(No.2021-ZD08).
文摘An active area of MGI(Materials Genome Initiative)/MGE(Materials Genome Engineering)is to accelerate the development of new materials by means of active learning and“digital trial-error”using a prediction model of material property.Machine learning methods have widely been employed for predicting crystalline materials properties with crystal graph neural networks(CGNN).The prediction accuracy of the state-of-the-art(SOTA)CGNN models based on big models and big data is generally higher.However,for the development of some classes of materials,the datasets obtained by experiments are usually lacking due to costly experiments and measurement costs.The lack of datasets will impact the accuracy of CGNN models and may result in overfitting during training models.This paper proposes a simplified crystal graph convolutional neural network(S-CGCNN)which possesses higher prediction accuracy while reducing the vast amount of train datasets and computation costs.The S-CGCNN model has successfully predicted properties of crystalline materials,such as piezoelectric materials and dielectric materials,and increased the prediction accuracy up to 12%-20%than existing SOTA CGNN models.Furthermore,the distribution map between properties and compositions of materials has been built to screen the latent space of candidate materials efficiently by principal component analysis.
文摘In this paper, the isogeometric analysis (IGA) is employed to develop an acoustic radiation model for a double plate-acoustic cavity coupling system, with a focus on analyzing the sound transmission loss (STL). The functionally graded (FG) plate exhibits a different material properties in-plane, and the power-law rule is adopted as the governing principle for material mixing. To validate the harmonic response and demonstrate the accuracy and convergence of the isogeometric modeling, ANASYS is utilized to compare with numerical examples. A plane wave serves as the acoustic excitation, and the Rayleigh integral is applied to discretize the radiated plate. The STL results are compared with the literature, confirming the reliability of the coupling system. Finally, the investigation is conducted to study impact of cavity depth and power-law parameter on the STL.
基金supported by Young Elite Scientists Sponsorship Program by CAST(No.2019QNRC001)Fundamental Research Funds for the Central Universities(No.2572021CG05)+5 种基金China Postdoctoral Science Foundation Funded Project(No.2022T150102,No.2021M700735,No.2019T120249,No.2018M630331)Heilongjiang Postdoctoral Fund(No.LBH-Z18010,No.LBH-TZ1001)National Natural Science Foundation of China(No.51903031,No.31770619,No.62205052,No.32271805)State Key Program of National Natural Science Foundation of China(No.31930076)the 111 Project(No.B20088)Heilongjiang Touyan Innovation Team Program(Tree Genetics and Breeding Innovation Team).
文摘As the most abundant natural polymer material on the earth,cellulose is a promising sustainable sensing material due to its high mechanical strength,excellent biocompatibility,good degrada-tion,and regeneration ability.Considering the inherent advantages of cellulose and the success of modern sensors,applying cellulose to sensors has always been the subject of considerable investigation,and significant progress has been made in recent decades.Herein,we reviewed the research progress of cellulose functional materials(CFMs)in recent years.According to the different sources of cellulose,the classification and preparation methods for the design and func-tionalization of cellulose were summarized with the emphasis on the relationship between their structure and properties.Besides,the applications of advanced sensors based on CFMs in recent years were also discussed.Finally,the potential challenges and prospects of the development of sensor based on CFMs were outlined.
基金This research was funded by the National Natural Science Foundation of China(Grant number No.52175324)the APC was funded by the Innovation Capability Improvement Project of higher education institutions in Gansu Province of China in 2019(No.2019-198A).
文摘Additive manufacturing(AM)technology makes parts through layer-by-layer deposition,which can regulate the microstructure and properties of different parts of a single part well.It provides a new idea for the preparation of functionally gradient materials(FGM),and has become a research hotspot at present.By referring to and analyzing the recent research achievements in the additive manufacturing tech-nology of FGM,the latest research progress at domestic and abroad from four aspects were summaried:selective laser melting additive man-ufacturing,electron beam additive manufacturing,arc additive manufacturing,path planning,and material texture.Moreover,the existing problems in the research are pointed out,and the future research direction and focus are prospected.
基金supported by the National Natural Science Foundation of China(Nos.52022051,22035005,22075165,52090032,and 52073159)Tsinghua-Foshan Innovation Special Fund(No.2020THFS0501).
文摘Atmospheric water,as one of the most abundant natural resources on Earth,has attracted huge research interest in the field of water harvesting and energy harvesting and conversion owing its environmental friendliness and easy access.The developments of new materials have seen advanced technologies that can extract water and energy out of this long-neglected resource,suggesting a promising and sustainable approach to address the water and energy crises over the world.Carbon-based functional materials have been considered to be indispensable materials for atmospheric water utilization due to their large surface area,excellent adsorption performance,and higher surface activity.In this review,first,we analyze the interaction between carbon-based functional materials and atmospheric water molecular.Then,technologies developed in recent years for atmospheric water utilization based on carbon-based functional materials are reviewed,mainly focusing on atmospheric water harvesting,moisture-enabled electricity generation,and moisture-responsive actuation.Finally,the remaining challenges and some tentative suggestions possibly guiding developments are proposed,which may pave a way for a bright future of carbon-based functional material in the utilization of atmospheric water.
基金Supported by National Natural Science Foundation of China(51991361,52074327)Major Engineering Technology Field Test Project of CNPC(2020F-45)。
文摘By summarizing the composition,classification,and performance characterization of functional adhesive materials,the adhesion mechanisms of functional adhesive materials,such as adsorption/surface reaction,diffusion,mechanical interlocking,and electrostatic adsorption,are expounded.The research status of these materials in oil and gas drilling and production engineering field such as lost circulation prevention/control,wellbore stabilization,hydraulic fracturing,and profile control and water plugging,and their application challenges and prospects in oil and gas drilling and production are introduced comprehensively.According to the applications of functional adhesive materials in the field of oil and gas drilling and production at this stage,the key research directions of functional adhesive materials in the area of oil and gas drilling and production are proposed:(1)blending and modifying thermoplastic resins or designing curable thermoplastic resins to improve the bonding performance and pressure bearing capacity of adhesive lost circulation materials;(2)introducing low-cost adhesive groups and positive charge structures into polymers to reduce the cost of wellbore strengthening agents and improve their adhesion performance on the wellbore;(3)introducing thermally reversible covalent bond into thermosetting resin to prevent backflow of proppant and improve the compressive strength of adhesive proppant;(4)introducing thermally reversible covalent bonds into thermoplastic polymers to improve the temperature resistance,salt-resistance and water shutoff performance of adhesive water shutoff agents.
基金Anhui Provincial Natural Science Foundation(2308085QD124)Anhui Province University Natural Science Research Project(GrantNo.2023AH050918)The University Outstanding Youth Talent Support Program of Anhui Province.
文摘This study proposes an effective method to enhance the accuracy of the Differential Quadrature Method(DQM)for calculating the dynamic characteristics of functionally graded beams by improving the form of discrete node distribution.Firstly,based on the first-order shear deformation theory,the governing equation of free vibration of a functionally graded beam is transformed into the eigenvalue problem of ordinary differential equations with respect to beam axial displacement,transverse displacement,and cross-sectional rotation angle by considering the effects of shear deformation and rotational inertia of the beam cross-section.Then,ignoring the shear deformation of the beam section and only considering the effect of the rotational inertia of the section,the governing equation of the beam is transformed into the eigenvalue problem of ordinary differential equations with respect to beam transverse displacement.Based on the differential quadrature method theory,the eigenvalue problem of ordinary differential equations is transformed into the eigenvalue problem of standard generalized algebraic equations.Finally,the first several natural frequencies of the beam can be calculated.The feasibility and accuracy of the improved DQM are verified using the finite element method(FEM)and combined with the results of relevant literature.