Acetylene is produced from the reaction between calcium carbide(CaC_(2))and water,while the production of CaC_(2) generates significant amount of carbon dioxide not only because it is an energy-intensive process but a...Acetylene is produced from the reaction between calcium carbide(CaC_(2))and water,while the production of CaC_(2) generates significant amount of carbon dioxide not only because it is an energy-intensive process but also the raw material for CaC_(2) synthesis is from coal.Here,a comprehensive biomass-to-acetylene process was constructed that integrated several units including biomass pyrolysis,oxygen-thermal CaC_(2) fabrication and calcium looping.For comparison,a coal-to-acetylene process was also established by using coal as feedstock.The carbon efficiency,energy efficiency and environmental impacts of the bio-based calcium carbide acetylene(BCCA)and coal-based calcium carbide acetylene(CCCA)processes were systematically analyzed.Moreover,the environmental impacts were further evaluated by applying thermal integration at system level and energy substitution in CaC_(2) furnace.Even though the BCCA process showed lower carbon efficiency and energy efficiency than that of the CCCA process,life cycle assessment demonstrated the BCCA(1.873 kgCO_(2eq) kg-prod^(-1))a lower carbon footprint process which is 0.366 kgCO_(2eq) kg-prod^(-1) lower compared to the CCCA process.With sustainable energy(biomass power)substitution in CaC_(2) furnace,an even lower GWP value of 1.377 kgCO_(2eq) kg-prod^(-1) can be achieved in BCCA process.This work performed a systematic analysis on integrating biomass into industrial acetylene production,and revealed the positive role of biomass as raw material(carbon)and energy supplier.展开更多
The synthesis of carbide coatings on graphite substrates using molten salt synthesis(MSS),has garnered significant interest due to its cost-effective nature.This study investigates the reaction process and growth kine...The synthesis of carbide coatings on graphite substrates using molten salt synthesis(MSS),has garnered significant interest due to its cost-effective nature.This study investigates the reaction process and growth kinetics involved in MSS,shedding light on key aspects of the process.The involvement of Ti powder through liquid-phase mass transfer is revealed,where the diffusion distance and quantity of Ti powder play a crucial role in determining the reaction rate by influencing the C content gradient on both sides of the carbide.Furthermore,the growth kinetics of the carbide coating are predominantly governed by the diffusion behavior of C within the carbide layer,rather than the chemical reaction rate.To analyze the kinetics,the thickness of the carbide layer is measured with respect to heat treatment time and temperature,unveiling a parabolic relationship within the temperature range of 700-1300℃.The estimated activation energy for the reaction is determined to be 179283 J·mol^(-1).These findings offer valuable insights into the synthesis of carbide coatings via MSS,facilitating their optimization and enhancing our understanding of their growth mechanisms and properties for various applications.展开更多
Boron carbide has unique properties for wide application possibilities;however,poor sinterability limits its applications.One approach to overcome this limitation is the addition of secondary phases into boron carbide...Boron carbide has unique properties for wide application possibilities;however,poor sinterability limits its applications.One approach to overcome this limitation is the addition of secondary phases into boron carbide.Boron carbide based composite ceramics are produced by the direct addition of secondary phases into the structure or via reactive sintering using a sintering additive.The present study investigated the effect of Ti_(3)SiC_(2) addition to boron carbide by reactive spark plasma sintering in the range of 1700-1900℃.Ti_(3)SiC_(2) phase decomposed at high temperatures and reacted with B4C to form secondary phases of TiB2 and SiC.The results demonstrated that the increase of Ti_(3)SiC_(2) addition(up to 15 vol%)effectively promoted the densification of B4C and yielded higher hardness.However,as the amount of Ti_(3)SiC_(2) increased further,the formation of microstructural inhomogeneity and agglomeration of secondary phases caused a decrease in hardness.展开更多
Titanium monocarbide(TiC),which is the most stable titanium-based carbide,has attracted considerable interest in the fields of energy,catalysis,and structural materials due to its excellent properties.Synthesis of hig...Titanium monocarbide(TiC),which is the most stable titanium-based carbide,has attracted considerable interest in the fields of energy,catalysis,and structural materials due to its excellent properties.Synthesis of high-quality TiC powders with low cost and high efficiency is crucial for industrial applications;however major challenges face its realization.Herein,the methods for synthesizing TiC powders based on a reaction system are reviewed.This analysis is focused on the underlying mechanisms by which synthesis methods affect the quality of powders.Notably,strategies for improving the synthesis of highquality powders are analyzed from the perspective of enhancing heat and mass transfer processes.Furthermore,the critical issues,challenges,and development trends of the synthesis technology and application of high-quality TiC powder are discussed.展开更多
High entropy carbides (HECds) are multi-component carbides consisting of transition metal carbides.HECds are generally composed of five or more metal cations of the equal or near-equal substances,obtaining a single cr...High entropy carbides (HECds) are multi-component carbides consisting of transition metal carbides.HECds are generally composed of five or more metal cations of the equal or near-equal substances,obtaining a single crystal structure.HECds have great potentials for future applications due to excellent mechanical,antioxidant and thermal properties.Due to their complex crystal structures and lattice distortion,computer simulations are widely used to efficiently associate the properties of HECds with the corresponding microstructures.In response to the development of HECds,this article provides an overview of the basic design,preparation process and properties of HECds.展开更多
WC-Co nanocrystalline nitrogen-containing cemented carbides were prepared by vacuum sintering and low pressure sintering.The sintering processes of Cr_(2)(C,N)doped nano WC-Co powders were studied by using thermogravi...WC-Co nanocrystalline nitrogen-containing cemented carbides were prepared by vacuum sintering and low pressure sintering.The sintering processes of Cr_(2)(C,N)doped nano WC-Co powders were studied by using thermogravimetric analysis(TGA)and differential scanning calorimetry(DSC).The effect of sintering temperature on the microstructure and mechanical properties of nanocrystalline cemented carbide was studied by scanning electron microscope(SEM),high resolution transmission electron microscope(HRTEM)and mechanical property test.The results showed that the nano WC grains began to grow in the solid phase sintering stage.A high-performance nano-nitrogen-containing cemented carbide with uniform microstructure and good interfacial bonding can be obtained by increasing the sintering temperature to 1380℃.It has a transverse rupture strength(TRS)of 5057 MPa and a hardness of 1956 HV30.展开更多
We review the fundamental properties and significant issues related to Cu/graphite composites.In particular,recent research on the interfacial modification of Cu/graphite composites is addressed,including the metal-mo...We review the fundamental properties and significant issues related to Cu/graphite composites.In particular,recent research on the interfacial modification of Cu/graphite composites is addressed,including the metal-modified layer,carbide-modified layer,and combined modified layer.Additionally,we propose the use of ternary layered carbide as an interface modification layer for Cu/graphite composites.展开更多
Compared to single atom catalysts(SACs),the introduction of dual atom catalysts(DACs)has a significantly positive effect on improving the efficiency in the electrocatalytic nitrogen reduction reaction(NRR)which provid...Compared to single atom catalysts(SACs),the introduction of dual atom catalysts(DACs)has a significantly positive effect on improving the efficiency in the electrocatalytic nitrogen reduction reaction(NRR)which provides an environmental alternative to the Haber-Bosch process.However,the research on the mechanism and strategy of designing bimetallic combinations for better performance is still in its early stages.Herein,based on"blocking and rebalance"mechanism,45 combinations of bimetallic pair dopedα-phosphorus carbide(TM_(A)TM_(B)@PC)are investigated as efficient NRR catalysts through density functional theory and machine learning method.After a multi-step screening,the combinations of TiV,TiFe,MnMo,and FeW exhibit highly efficient catalytic performance with significantly lower limiting potentials(-0.17,-0.18,-0.14,and-0.30 V,respectively).Excitingly,the limiting potential for CrMo and CrW combinations is 0 V,which are considered to be extremely suitable for the NRR process.The mechanism of"blocking and rebalance"is revealed by the exploration of charge transfer for phosphorus atoms in electron blocking areas.Moreover,the descriptorφis proposed with machine learning,which provides design strategies and accurate prediction for finding efficient DACs.This work not only offers promising catalysts TM_(A)TM_(B)@PC for NRR process but also provides design strategies by presenting the descriptorφ.展开更多
The molybdenum carbide(Mo_(2)C)has been regarded as one of the most cost-efficient and stable electrocatalyst for the hydrogen evolution reaction(HER)by the virtue of its Pt-like electronic structures.However,the inhe...The molybdenum carbide(Mo_(2)C)has been regarded as one of the most cost-efficient and stable electrocatalyst for the hydrogen evolution reaction(HER)by the virtue of its Pt-like electronic structures.However,the inherent limitation of high density of empty valence band significantly reduces its catalytic reactivity by reason of strong hydrogen desorption resistance.Herein,we propose a multiscale confinement synthesis method to design the nitrogen-rich Mo_(2)C for modulating the band structure via decomposing the pre-coordination bonded polymer in a pressure-tight tube sealing system.Pre-bonded c/N-Mo in the coordination precursor constructs a micro-confinement space,enabling the homogeneous nitrogenization in-situ happened during the formation of Mo_(2)C.Simultaneously,the evolved gases from the precursor decomposition in tube sealing system establish a macro-confinement environment,preventing the lattice N escape and further endowing a continuous nitridation.Combining the multiscale confinement effects,the nitrogen-rich Mo2C displays as high as 25%N-Mo concentration in carbide lattice,leading to a satisfactory band structure.Accordingly,the constructed nitrogen-rich Mo_(2)C reveals an adorable catalytic activity for HER in both alkaline and acid solution.It is anticipated that the multiscale confinement synthesis strategy presents guideline for the rational design of electrocatalysts and beyond.展开更多
Grain boundaries(GBs)play a significant role in the deformation behaviors of nanocrystalline ceramics.Here,we investigate the compression behaviors of nanocrystalline boron carbide(nB_(4)C)with varying grain sizes usi...Grain boundaries(GBs)play a significant role in the deformation behaviors of nanocrystalline ceramics.Here,we investigate the compression behaviors of nanocrystalline boron carbide(nB_(4)C)with varying grain sizes using molecular dynamics simulations with a machine-learning force field.The results reveal quasi-plastic deformation mechanisms in nB_(4)C:GB sliding,intergranular amorphization and intragranular amorphization.GB sliding arises from the presence of soft GBs,leading to intergranular amorphization.Intragranular amorphization arises from the interaction between grains with unfavorable orientations and the softened amorphous GBs,and finally causes structural failure.Furthermore,nB_(4)C models with varying grain sizes from 4.07 nm to 10.86 nm display an inverse Hall-Petch relationship due to the GB sliding mechanism.A higher strain rate in nB_(4)C often leads to a higher yield strength,following a 2/3 power relationship.These deformation mechanisms are critical for the design of ceramics with superior mechanical properties.展开更多
An experimental investigation into the thermal conductivity of CF-SiC two-phase composite asphalt concrete is presented.The main objective of this study was to verify the possibility of using SiC powder instead of min...An experimental investigation into the thermal conductivity of CF-SiC two-phase composite asphalt concrete is presented.The main objective of this study was to verify the possibility of using SiC powder instead of mineral powder as the thermal conductive filler to prepare a new type of asphalt concrete and improve the efficiency of electrothermal snow and ice melting systems accordingly.The thermal conductivity of asphalt concrete prepared with different thermally conductive fillers was tested by a transient plane source method,and the related performances were measured.Then the temperature rise rate and surface temperature were studied through field heating tests.Finally,the actual ice melting efficiency of the thermally conductive asphalt concrete was evaluated using an effective electrothermal system.As shown by the experimental results,the composite made of SiC powder and carbon fiber has a high thermal conductivity.When SiC replaces mineral powder,the thermal conductivity of the asphalt mixture increases first and then decreases with the increase of carbon fiber content.In the present study,in particular,the thermal conductivity attained a peak when the carbon fiber content was 0.2%of the aggregate mass.展开更多
The effects of ultrafine WC(WC_(UF),0.5μm) or W(1μm) and C(0.3μm)(W+C)_(UF) additives on the densification,microstructure and mechanical properties of coarse-grained cemented carbides were compared systematically.O...The effects of ultrafine WC(WC_(UF),0.5μm) or W(1μm) and C(0.3μm)(W+C)_(UF) additives on the densification,microstructure and mechanical properties of coarse-grained cemented carbides were compared systematically.Overall,the cemented carbides with WC_(UF)/(W+C)_(UF) additives are almost fully densification to be higher than 99%,and the average grain size is kept above 2.8μm.The WC_(UF) additive assists grains to(truncated)trigonal prism shape by two dimensional(2D) growth,whereas the(W+C)_(UF) additive assists grains to rounded shape by three dimensional(3D) growth,lowers WC contiguity and increases face-centered-cubic Co.The hardness and bending strength of(75WC_(C)-15WC_(UF))-10Co are 86.6 HRA and 2 272 MPa,respectively,both higher than those of(75WC_(C)-15(W+C)_(UF))-10Co,which could be ascribed to the enhanced densification and unblemished grains.However,the fracture toughness of the(75WC_(C)-15(W+C)_(UF))-10Co is 23.5 MPa·m^(1/2),higher than that of the(75WC_(C)-15WC_(UF))-10Co due to the uniform WC-Co structure and flexible binder phase.展开更多
We investigated the role of metal atomization and solvent decomposition into reductive species and carbon clusters in the phase formation of transition-metal carbides(TMCs;namely,Co_(3)C,Fe_(3)C,TiC,and MoC)by pulsed ...We investigated the role of metal atomization and solvent decomposition into reductive species and carbon clusters in the phase formation of transition-metal carbides(TMCs;namely,Co_(3)C,Fe_(3)C,TiC,and MoC)by pulsed laser ablation of Co,Fe,Ti,and Mo metals in acetone.The interaction between carbon s-p-orbitals and metal d-orbitals causes a redistribution of valence structure through charge transfer,leading to the formation of surface defects as observed by X-ray photoelectron spectroscopy.These defects influence the evolved TMCs,making them effective for hydrogen and oxygen evolution reactions(HER and OER)in an alkaline medium.Co_(3)C with more oxygen affinity promoted CoO(OH)intermediates,and the electrochemical surface oxidation to Co_(3)O_(4)was captured via in situ/operando electrochemical Raman probes,increasing the number of active sites for OER activity.MoC with more d-vacancies exhibits strong hydrogen binding,promoting HER kinetics,whereas Fe_(3)C and TiC with more defect states to trap charge carriers may hinder both OER and HER activities.The results show that the assembled membrane-less electrolyzer with Co_(3)C∥Co_(3)C and MoC∥MoC electrodes requires~2.01 and 1.99 V,respectively,to deliver a 10 mA cm−2 with excellent electrochemical and structural stability.In addition,the ascertained pulsed laser synthesis mechanism and unit-cell packing relations will open up sustainable pathways for obtaining highly stable electrocatalysts for electrolyzers.展开更多
The coating layers of Tri-structural Isotropic Particles(TRISO)serve to protect the kernel and act as barriers to fission products.Sintering aids in the silicon carbide matrix variably react with TRISO coating layers,...The coating layers of Tri-structural Isotropic Particles(TRISO)serve to protect the kernel and act as barriers to fission products.Sintering aids in the silicon carbide matrix variably react with TRISO coating layers,leading to the destruction of the coating layers.Investigating how carbon content affects element diffusion in silicon carbide-based TRISO composite fuel is of great significance for predicting reactor safety.In this study,silicon carbide-based TRISO composite fuels with different carbon contents were prepared by adding varying amounts of phenolic resin to the silicon carbide matrix.X-ray Diffraction(XRD)and Scanning Electron Microscopy(SEM)were employed to characterize the phase composition,morphology,and microstructure of the composite fuels.The elemental content in each coating layer of TRISO was quantified using Energy-Dispersive X-ray Spectroscopy(EDS).The results demonstrated that the addition of phenolic resin promoted the uniform distribution of sintering aids in the silicon carbide matrix.The atomic percentage(at.%)of aluminum(Al)in the pyrolytic carbon layer of the TRISO particles reached its lowest value of 0.55%when the phenolic resin addition was 1%.This is because the addition of phenolic resin caused the Al and silicon(Si)in the matrix to preferentially react with the carbon in the phenolic resin to form a metastable liquid phase,rather than preferentially consuming the pyrolytic carbon in the outer coating layer of the TRISO particles.The findings suggest that carbon addition through phenolic resin incorporation can effectively mitigate the deleterious reactions between the TRISO coating layers and sintering aids,thereby enhancing the durability and safety of silicon carbide-based TRISO composite fuels.展开更多
The objective of this study is to improve the mechanical properties and machining performance of high thermal conductivity and low expansion silicon carbide dispersion-strengthened hypereutectic aluminum-silicon elect...The objective of this study is to improve the mechanical properties and machining performance of high thermal conductivity and low expansion silicon carbide dispersion-strengthened hypereutectic aluminum-silicon electronic packaging materials to meet the needs of aviation,aerospace,and electronic packaging fields.We used the powder metallurgy method and high-temperature hot pressing technology to prepare SiC/Al-Si composite materials with different SiC contents(5vol%,10vol%,15vol%,and 20vol%).The results showed that as the SiC content increased,the tensile strength of the composite material first increased and then decreased.The tensile strength was the highest when the SiC content was 15%;the sintering temperature significantly affected the composite material’s structural density and mechanical properties.Findings indicated 700℃was the optimal sintering and the optimal SiC content of SiC/Al-Si composite materials was between 10%and 15%.Besides,the sintering temperature should be strictly controlled to improve the material’s structural density and mechanical properties.展开更多
基金the National Natural Science Foundation of China(21978128,91934302)the State Key Laboratory of Materials-oriented Chemical Engineering(ZK202006)is acknowledged.
文摘Acetylene is produced from the reaction between calcium carbide(CaC_(2))and water,while the production of CaC_(2) generates significant amount of carbon dioxide not only because it is an energy-intensive process but also the raw material for CaC_(2) synthesis is from coal.Here,a comprehensive biomass-to-acetylene process was constructed that integrated several units including biomass pyrolysis,oxygen-thermal CaC_(2) fabrication and calcium looping.For comparison,a coal-to-acetylene process was also established by using coal as feedstock.The carbon efficiency,energy efficiency and environmental impacts of the bio-based calcium carbide acetylene(BCCA)and coal-based calcium carbide acetylene(CCCA)processes were systematically analyzed.Moreover,the environmental impacts were further evaluated by applying thermal integration at system level and energy substitution in CaC_(2) furnace.Even though the BCCA process showed lower carbon efficiency and energy efficiency than that of the CCCA process,life cycle assessment demonstrated the BCCA(1.873 kgCO_(2eq) kg-prod^(-1))a lower carbon footprint process which is 0.366 kgCO_(2eq) kg-prod^(-1) lower compared to the CCCA process.With sustainable energy(biomass power)substitution in CaC_(2) furnace,an even lower GWP value of 1.377 kgCO_(2eq) kg-prod^(-1) can be achieved in BCCA process.This work performed a systematic analysis on integrating biomass into industrial acetylene production,and revealed the positive role of biomass as raw material(carbon)and energy supplier.
基金This work was financially supported by the National Natural Science Foundation of China(No.52171144)the Fundamental Research Special Zone Program of Shanghai Jiao Tong University(No.21TQ1400215).
文摘The synthesis of carbide coatings on graphite substrates using molten salt synthesis(MSS),has garnered significant interest due to its cost-effective nature.This study investigates the reaction process and growth kinetics involved in MSS,shedding light on key aspects of the process.The involvement of Ti powder through liquid-phase mass transfer is revealed,where the diffusion distance and quantity of Ti powder play a crucial role in determining the reaction rate by influencing the C content gradient on both sides of the carbide.Furthermore,the growth kinetics of the carbide coating are predominantly governed by the diffusion behavior of C within the carbide layer,rather than the chemical reaction rate.To analyze the kinetics,the thickness of the carbide layer is measured with respect to heat treatment time and temperature,unveiling a parabolic relationship within the temperature range of 700-1300℃.The estimated activation energy for the reaction is determined to be 179283 J·mol^(-1).These findings offer valuable insights into the synthesis of carbide coatings via MSS,facilitating their optimization and enhancing our understanding of their growth mechanisms and properties for various applications.
基金YOK(MEVLANA 2018-9999-Proj-ect-Based International Exchange Programme)for financial support in inter-national collaboration.
文摘Boron carbide has unique properties for wide application possibilities;however,poor sinterability limits its applications.One approach to overcome this limitation is the addition of secondary phases into boron carbide.Boron carbide based composite ceramics are produced by the direct addition of secondary phases into the structure or via reactive sintering using a sintering additive.The present study investigated the effect of Ti_(3)SiC_(2) addition to boron carbide by reactive spark plasma sintering in the range of 1700-1900℃.Ti_(3)SiC_(2) phase decomposed at high temperatures and reacted with B4C to form secondary phases of TiB2 and SiC.The results demonstrated that the increase of Ti_(3)SiC_(2) addition(up to 15 vol%)effectively promoted the densification of B4C and yielded higher hardness.However,as the amount of Ti_(3)SiC_(2) increased further,the formation of microstructural inhomogeneity and agglomeration of secondary phases caused a decrease in hardness.
基金supported by Basic Frontier Scientific Research of the Chinese Academy of Sciences(ZDBS-LY-JSC041)the National Natural Science Foundation of China(22178348)+1 种基金the open research fund of the State Key Laboratory of Mesoscience and Engineering(MESO-23-D06)the Youth Innovation Promotion Association CAS(292021000085)。
文摘Titanium monocarbide(TiC),which is the most stable titanium-based carbide,has attracted considerable interest in the fields of energy,catalysis,and structural materials due to its excellent properties.Synthesis of high-quality TiC powders with low cost and high efficiency is crucial for industrial applications;however major challenges face its realization.Herein,the methods for synthesizing TiC powders based on a reaction system are reviewed.This analysis is focused on the underlying mechanisms by which synthesis methods affect the quality of powders.Notably,strategies for improving the synthesis of highquality powders are analyzed from the perspective of enhancing heat and mass transfer processes.Furthermore,the critical issues,challenges,and development trends of the synthesis technology and application of high-quality TiC powder are discussed.
文摘High entropy carbides (HECds) are multi-component carbides consisting of transition metal carbides.HECds are generally composed of five or more metal cations of the equal or near-equal substances,obtaining a single crystal structure.HECds have great potentials for future applications due to excellent mechanical,antioxidant and thermal properties.Due to their complex crystal structures and lattice distortion,computer simulations are widely used to efficiently associate the properties of HECds with the corresponding microstructures.In response to the development of HECds,this article provides an overview of the basic design,preparation process and properties of HECds.
基金Funded by the National Key Research and Development Plan of China(No.2017YFB0305900)。
文摘WC-Co nanocrystalline nitrogen-containing cemented carbides were prepared by vacuum sintering and low pressure sintering.The sintering processes of Cr_(2)(C,N)doped nano WC-Co powders were studied by using thermogravimetric analysis(TGA)and differential scanning calorimetry(DSC).The effect of sintering temperature on the microstructure and mechanical properties of nanocrystalline cemented carbide was studied by scanning electron microscope(SEM),high resolution transmission electron microscope(HRTEM)and mechanical property test.The results showed that the nano WC grains began to grow in the solid phase sintering stage.A high-performance nano-nitrogen-containing cemented carbide with uniform microstructure and good interfacial bonding can be obtained by increasing the sintering temperature to 1380℃.It has a transverse rupture strength(TRS)of 5057 MPa and a hardness of 1956 HV30.
基金Funded by Changsha Natural Science Foundation(No.kq2208270)。
文摘We review the fundamental properties and significant issues related to Cu/graphite composites.In particular,recent research on the interfacial modification of Cu/graphite composites is addressed,including the metal-modified layer,carbide-modified layer,and combined modified layer.Additionally,we propose the use of ternary layered carbide as an interface modification layer for Cu/graphite composites.
基金supports by the National Natural Science Foundation of China (NSFC,Grant No.52271113)the Natural Science Foundation of Shaanxi Province,China (2020JM-218)+1 种基金the Fundamental Research Funds for the Central Universities (CHD300102311405)HPC platform,Xi’an Jiaotong University。
文摘Compared to single atom catalysts(SACs),the introduction of dual atom catalysts(DACs)has a significantly positive effect on improving the efficiency in the electrocatalytic nitrogen reduction reaction(NRR)which provides an environmental alternative to the Haber-Bosch process.However,the research on the mechanism and strategy of designing bimetallic combinations for better performance is still in its early stages.Herein,based on"blocking and rebalance"mechanism,45 combinations of bimetallic pair dopedα-phosphorus carbide(TM_(A)TM_(B)@PC)are investigated as efficient NRR catalysts through density functional theory and machine learning method.After a multi-step screening,the combinations of TiV,TiFe,MnMo,and FeW exhibit highly efficient catalytic performance with significantly lower limiting potentials(-0.17,-0.18,-0.14,and-0.30 V,respectively).Excitingly,the limiting potential for CrMo and CrW combinations is 0 V,which are considered to be extremely suitable for the NRR process.The mechanism of"blocking and rebalance"is revealed by the exploration of charge transfer for phosphorus atoms in electron blocking areas.Moreover,the descriptorφis proposed with machine learning,which provides design strategies and accurate prediction for finding efficient DACs.This work not only offers promising catalysts TM_(A)TM_(B)@PC for NRR process but also provides design strategies by presenting the descriptorφ.
基金supported by the National Natural Science Foundation of China(52372201,52125202,52202247)the Natural Science Foundation of Jiangsu Province(1192261031693)the Fundamental Research Funds for the Central Universities(30919011110,1191030558)。
文摘The molybdenum carbide(Mo_(2)C)has been regarded as one of the most cost-efficient and stable electrocatalyst for the hydrogen evolution reaction(HER)by the virtue of its Pt-like electronic structures.However,the inherent limitation of high density of empty valence band significantly reduces its catalytic reactivity by reason of strong hydrogen desorption resistance.Herein,we propose a multiscale confinement synthesis method to design the nitrogen-rich Mo_(2)C for modulating the band structure via decomposing the pre-coordination bonded polymer in a pressure-tight tube sealing system.Pre-bonded c/N-Mo in the coordination precursor constructs a micro-confinement space,enabling the homogeneous nitrogenization in-situ happened during the formation of Mo_(2)C.Simultaneously,the evolved gases from the precursor decomposition in tube sealing system establish a macro-confinement environment,preventing the lattice N escape and further endowing a continuous nitridation.Combining the multiscale confinement effects,the nitrogen-rich Mo2C displays as high as 25%N-Mo concentration in carbide lattice,leading to a satisfactory band structure.Accordingly,the constructed nitrogen-rich Mo_(2)C reveals an adorable catalytic activity for HER in both alkaline and acid solution.It is anticipated that the multiscale confinement synthesis strategy presents guideline for the rational design of electrocatalysts and beyond.
基金the support from the National Natural Science Foundation of China (Grant No.11972267)。
文摘Grain boundaries(GBs)play a significant role in the deformation behaviors of nanocrystalline ceramics.Here,we investigate the compression behaviors of nanocrystalline boron carbide(nB_(4)C)with varying grain sizes using molecular dynamics simulations with a machine-learning force field.The results reveal quasi-plastic deformation mechanisms in nB_(4)C:GB sliding,intergranular amorphization and intragranular amorphization.GB sliding arises from the presence of soft GBs,leading to intergranular amorphization.Intragranular amorphization arises from the interaction between grains with unfavorable orientations and the softened amorphous GBs,and finally causes structural failure.Furthermore,nB_(4)C models with varying grain sizes from 4.07 nm to 10.86 nm display an inverse Hall-Petch relationship due to the GB sliding mechanism.A higher strain rate in nB_(4)C often leads to a higher yield strength,following a 2/3 power relationship.These deformation mechanisms are critical for the design of ceramics with superior mechanical properties.
基金the support of the Joint Funds of the Natural Science Foundation of Hubei Province(2022CFD130)the Technology Innovation Project of Hubei Province(Key Program,No.2023BEB010)+1 种基金the Key Research and Development Program of Hubei Province(No.2021BGD015)the Knowledge Innovation Project of Wuhan(No.2022010801010259).
文摘An experimental investigation into the thermal conductivity of CF-SiC two-phase composite asphalt concrete is presented.The main objective of this study was to verify the possibility of using SiC powder instead of mineral powder as the thermal conductive filler to prepare a new type of asphalt concrete and improve the efficiency of electrothermal snow and ice melting systems accordingly.The thermal conductivity of asphalt concrete prepared with different thermally conductive fillers was tested by a transient plane source method,and the related performances were measured.Then the temperature rise rate and surface temperature were studied through field heating tests.Finally,the actual ice melting efficiency of the thermally conductive asphalt concrete was evaluated using an effective electrothermal system.As shown by the experimental results,the composite made of SiC powder and carbon fiber has a high thermal conductivity.When SiC replaces mineral powder,the thermal conductivity of the asphalt mixture increases first and then decreases with the increase of carbon fiber content.In the present study,in particular,the thermal conductivity attained a peak when the carbon fiber content was 0.2%of the aggregate mass.
基金Funded by the Technology Innovation Leading Program of Shaanxi(No.2022QFY08-02)。
文摘The effects of ultrafine WC(WC_(UF),0.5μm) or W(1μm) and C(0.3μm)(W+C)_(UF) additives on the densification,microstructure and mechanical properties of coarse-grained cemented carbides were compared systematically.Overall,the cemented carbides with WC_(UF)/(W+C)_(UF) additives are almost fully densification to be higher than 99%,and the average grain size is kept above 2.8μm.The WC_(UF) additive assists grains to(truncated)trigonal prism shape by two dimensional(2D) growth,whereas the(W+C)_(UF) additive assists grains to rounded shape by three dimensional(3D) growth,lowers WC contiguity and increases face-centered-cubic Co.The hardness and bending strength of(75WC_(C)-15WC_(UF))-10Co are 86.6 HRA and 2 272 MPa,respectively,both higher than those of(75WC_(C)-15(W+C)_(UF))-10Co,which could be ascribed to the enhanced densification and unblemished grains.However,the fracture toughness of the(75WC_(C)-15(W+C)_(UF))-10Co is 23.5 MPa·m^(1/2),higher than that of the(75WC_(C)-15WC_(UF))-10Co due to the uniform WC-Co structure and flexible binder phase.
基金National Research Foundation of Korea,Grant/Award Numbers:2019H1D3A1A01071209,2021R1I1A1A01060380,2022R1A2C2010686,2022R1A4A3033528Korea Basic Science Institute,Grant/Award Numbers:2019R1A6C1010042,2021R1A6C103A427。
文摘We investigated the role of metal atomization and solvent decomposition into reductive species and carbon clusters in the phase formation of transition-metal carbides(TMCs;namely,Co_(3)C,Fe_(3)C,TiC,and MoC)by pulsed laser ablation of Co,Fe,Ti,and Mo metals in acetone.The interaction between carbon s-p-orbitals and metal d-orbitals causes a redistribution of valence structure through charge transfer,leading to the formation of surface defects as observed by X-ray photoelectron spectroscopy.These defects influence the evolved TMCs,making them effective for hydrogen and oxygen evolution reactions(HER and OER)in an alkaline medium.Co_(3)C with more oxygen affinity promoted CoO(OH)intermediates,and the electrochemical surface oxidation to Co_(3)O_(4)was captured via in situ/operando electrochemical Raman probes,increasing the number of active sites for OER activity.MoC with more d-vacancies exhibits strong hydrogen binding,promoting HER kinetics,whereas Fe_(3)C and TiC with more defect states to trap charge carriers may hinder both OER and HER activities.The results show that the assembled membrane-less electrolyzer with Co_(3)C∥Co_(3)C and MoC∥MoC electrodes requires~2.01 and 1.99 V,respectively,to deliver a 10 mA cm−2 with excellent electrochemical and structural stability.In addition,the ascertained pulsed laser synthesis mechanism and unit-cell packing relations will open up sustainable pathways for obtaining highly stable electrocatalysts for electrolyzers.
基金funded by the Shanghai Academic/Technology Research Leader(Project No.21XD1432000).
文摘The coating layers of Tri-structural Isotropic Particles(TRISO)serve to protect the kernel and act as barriers to fission products.Sintering aids in the silicon carbide matrix variably react with TRISO coating layers,leading to the destruction of the coating layers.Investigating how carbon content affects element diffusion in silicon carbide-based TRISO composite fuel is of great significance for predicting reactor safety.In this study,silicon carbide-based TRISO composite fuels with different carbon contents were prepared by adding varying amounts of phenolic resin to the silicon carbide matrix.X-ray Diffraction(XRD)and Scanning Electron Microscopy(SEM)were employed to characterize the phase composition,morphology,and microstructure of the composite fuels.The elemental content in each coating layer of TRISO was quantified using Energy-Dispersive X-ray Spectroscopy(EDS).The results demonstrated that the addition of phenolic resin promoted the uniform distribution of sintering aids in the silicon carbide matrix.The atomic percentage(at.%)of aluminum(Al)in the pyrolytic carbon layer of the TRISO particles reached its lowest value of 0.55%when the phenolic resin addition was 1%.This is because the addition of phenolic resin caused the Al and silicon(Si)in the matrix to preferentially react with the carbon in the phenolic resin to form a metastable liquid phase,rather than preferentially consuming the pyrolytic carbon in the outer coating layer of the TRISO particles.The findings suggest that carbon addition through phenolic resin incorporation can effectively mitigate the deleterious reactions between the TRISO coating layers and sintering aids,thereby enhancing the durability and safety of silicon carbide-based TRISO composite fuels.
文摘The objective of this study is to improve the mechanical properties and machining performance of high thermal conductivity and low expansion silicon carbide dispersion-strengthened hypereutectic aluminum-silicon electronic packaging materials to meet the needs of aviation,aerospace,and electronic packaging fields.We used the powder metallurgy method and high-temperature hot pressing technology to prepare SiC/Al-Si composite materials with different SiC contents(5vol%,10vol%,15vol%,and 20vol%).The results showed that as the SiC content increased,the tensile strength of the composite material first increased and then decreased.The tensile strength was the highest when the SiC content was 15%;the sintering temperature significantly affected the composite material’s structural density and mechanical properties.Findings indicated 700℃was the optimal sintering and the optimal SiC content of SiC/Al-Si composite materials was between 10%and 15%.Besides,the sintering temperature should be strictly controlled to improve the material’s structural density and mechanical properties.