The interfacial properties of Schottky contacts crucially affect the performance of power devices. While a few studies have explored the impact of fluorine on Schottky contacts, a comprehensive theoretical explanation...The interfacial properties of Schottky contacts crucially affect the performance of power devices. While a few studies have explored the impact of fluorine on Schottky contacts, a comprehensive theoretical explanation supported by experimental evidence remains lacking. This work investigates the effects of fluorine incorporation and electrothermal annealing(ETA) on the current transport process at Ni/β-Ga_(2)O_(3) Schottky contacts. X-ray photoelectron spectroscopy and first-principles calculations confirm the presence of fluorine substitutions for oxygen and oxygen vacancies and their lowering effect on the Schottky barrier heights. Additionally, accurate electrothermal hybrid TCAD simulations validates the extremely short-duration high temperatures(683 K) induced by ETA, which facilitates lattice rearrangement and reduces interface trap states. The interface trap states are quantitatively resolved through frequency-dependent conductance technique, showing the trap density(DT)reduction from(0.88-2.48) × 10^(11) cm^(-2)·eV^(-1) to(0.46-2.09) × 10^(11) cm^(-2)·eV^(-1). This investigation offers critical insights into the β-Ga_(2)O_(3) contacts with the collaborative treatment and solids the promotion of high-performance β-Ga_(2)O_(3) power devices.展开更多
Metal-ceramic composites combine the excellent properties of metals and ceramics,which have high strength,stability,and corrosion re-sistance.Al_(2)O_(3)/FeCo composites have been proven to be useful in ap-plications ...Metal-ceramic composites combine the excellent properties of metals and ceramics,which have high strength,stability,and corrosion re-sistance.Al_(2)O_(3)/FeCo composites have been proven to be useful in ap-plications such as catalysts,mi-crowave absorption materials,and enhanced permeability dielectric.The understanding of the mechani-cal properties and dynamics at the atomic scale of the Al_(2)O_(3)/FeCo in-terface can promote the design and exploitment of metal-ceramic composites.In this work,we have obtained Young’s modulus and diffusion coefficient of the Al_(2)O_(3)/FeCo interface using molecular dynamics simulation,elucidated the structural characteristics of the Al_(2)O_(3)/FeCo interface at the atomic scale,and investigated the impact of atomic magnetism and the exter-nal magnetic field on the interface.Simulated results show that Young’s modulus of the Al_(2)O_(3)/FeCo interface is significantly improved compared with pure Al_(2)O_(3)and FeCo alloy at room and high temperatures.When the atomic magnetism and the external magnetic field are applied,Young’s modulus of the Al_(2)O_(3)/FeCo interface further increases to 612 GPa at 300 K and 602 GPa at 500 K.Moreover,the average density,diffusion coefficient,and radial distri-bution function are found to be modified substantially.This study will shed light on the atom-istic investigations of the metal-ceramic composites.展开更多
The interaction of MgO-MgAl_(2)O_(4)-based and MgO-Cr_(2)O_(3)-based refractories with X70 molten steel was studied by immersion experiments at 1560℃.The effects of immersion time(30 and 60 min)on the contents of tot...The interaction of MgO-MgAl_(2)O_(4)-based and MgO-Cr_(2)O_(3)-based refractories with X70 molten steel was studied by immersion experiments at 1560℃.The effects of immersion time(30 and 60 min)on the contents of total oxygen(TO),Al,Nb,Si,Mn,and Cr as well as the composition,number density,and size distribution of inclusions in the molten steel were investigated.The influence of the penetration and erosion degree of the molten steel to the refractory on the steel-refractory interface layer was analyzed.The results show that,at 1560℃,the MgO-MgAl_(2)O_(4)-based refractory can better control the contents of TO and the composition of molten steel compared with the MgO-Cr_(2)O_(3)-based refractory.The TO content is only 16×10^(-4) wt.%in the molten steel after reacted with the Mg0-MgAl_(2)O_(4)-based refractory at the end point of refining,4 accounting for 11.5%of that reacted with the MgO-Cr_(2)O_(3)-based refractory(139×10^(-4) wt.%).The number density of inclusions is only 14 mm^(-2),and the average size ofinclusions is only 1.31μm,with thelargest proportion of inclusions in 1-2μm(70%).The Al_(2)O_(3)-MnS-CaO complex inclusions in the original steel changed to complex inclusions dominated by Cr-Nb-Mn-S-O and MgO.Al_(2)O_(3),corresponding to the MgO-Cr_(2)O_(3)-based and MgO-MgAl_(2)O_(4)-based refractories,respectively.The MgO.Al_(2)O_(3) layer was formed at the reaction interface between MgO-MgAl_(2)O_(4)-based refractory and molten steel,which is helpful to restrict the erosion of refractories and the pollution of molten steel.The damage mechanism of the MgO-Cr_(2)O_(3)-based refractory is mainly permeation and chemical reaction,while the damage of the MgO-MgAl_(2)O_(4)-based refractory is mainlyscouring erosion.展开更多
Interfaces and surfaces of YBa_2Cu_3O_(7-x)(YBCO)-Ag have been studied by SEM-EDX and AES.No effect of Ag on 123 structure in X-ray diffraction pattern was observed for 0.4 mol Ag doped YBCO.AES analysis indicated tha...Interfaces and surfaces of YBa_2Cu_3O_(7-x)(YBCO)-Ag have been studied by SEM-EDX and AES.No effect of Ag on 123 structure in X-ray diffraction pattern was observed for 0.4 mol Ag doped YBCO.AES analysis indicated that Ag segregated on surface of YBCO and resulted in decrease of YBCO-metal lead resistance.In addition,solution and segregation of Ag as elemental state were often appeared on interfaces and surfaces of high temperature annealed YBCO,whether elemental Ag or compound Ag_2O and AgNO_3 adopted as doping material.展开更多
In the quest for the development of thermally stable,highly active and low-cost catalysts for use in catalyzed diesel particulate filter,nano-composites are new areas of research.Therefore,we reported the easy synthes...In the quest for the development of thermally stable,highly active and low-cost catalysts for use in catalyzed diesel particulate filter,nano-composites are new areas of research.Therefore,we reported the easy synthesis of spinel NiCo_(2)O_(4)/perovskite LaCoO_(3) nano-composite,and its individual oxides NiCo_(2)O_(4)and LaCoO_(3) for comparison.The detailed insights into the physio-chemical characteristics of formed NiCo_(2)O_(4)/LaCoO_(3) nano-composite were done based on various characterization analysis such as X-ray diffraction(XRD),Fourier transform infrared(FT-IR),N_(2) physiosorption,scanning electron microscopy-energy dispersive spectroscopy(SEM-EDX),transmission electron microscopy(TEM),and X-ray photoelectron spectroscopy(XPS).The characterization analysis of NiCo_(2)O_(4)/LaCoO_(3) revealed the successful formation of a chemical interface possessing strong interfacial interaction,resulting in desirable physicochemical characteristics such as small crystallite size,abundant mesoporosity,high specific surface area and activation of surface lattice oxygen.Owing to the desirable characteristics,the activity results over NiCo_(2)O_(4)/LaCoO_(3) nano-composite showed the excellent CO oxidation performance and high soot oxidation activity,recyclability and thermal stability.This work mainly attempts to emphasize the effectiveness of the facile,inexpensive and conventionally used precipitation method for the successful formation of highly efficient nano-composites.展开更多
Mg alloys have the defects of low stiffness,low strength,and high coefficient of thermal expansion(CTE).The composites strategy and its architecture design are effective approaches to improve the comprehensive perform...Mg alloys have the defects of low stiffness,low strength,and high coefficient of thermal expansion(CTE).The composites strategy and its architecture design are effective approaches to improve the comprehensive performance of materials,but the processing difficulty,especially in ceramics forming,limits the control and innovation of material architecture.Here,combined with 3D printing and squeeze infiltration technology,two precisely controllable architectures of AZ91/Al_(2)O_(3)interpenetrating phase composites(IPC)with ceramic scaffold were prepared.The interface,properties and impact of different architecture on IPC performance were studied by experiments and finite element simulation.The metallurgical bonding of the interface was realized with the formation of MgAl_(2)O_(4)reaction layer.The IPC with 1 mm circular hole scaffold(1C-IPC)exhibited significantly improved elastic modulus of 164 GPa,high compressive strength of 680 MPa,and good CTE of 12.91×10^(-6)K^(−1),which were 3.64 times,1.98 times and 55%of the Mg matrix,respectively.Their elastic modulus,compressive strength,and CTE were superior to the vast majority of Mg alloys and Mg based composites.The reinforcement and matrix were bicontinuous and interpenetrating each other,which played a critical role in ensuring the potent strengthening effect of the Al_(2)O_(3)reinforcement by efficient load transfer.Under the same volume fraction of reinforcements,compared to IPC with 1 mm hexagonal hole scaffold(1H-IPC),the elastic modulus and compressive strength of 1C-IPC increased by 15%and 28%,respectively,which was due to the reduced stress concentration and more uniform stress distribution of 1C-IPC.It shows great potential of architecture design in improving the performance of composites.This study provides architectural design strategy and feasible preparation method for the development of high performance materials.展开更多
基金supported by the National Natural Science Foundation of China (Grant Nos. 62174019, 52302046, L2424216)the Guangdong Basic and Applied Basic Research Foundation (Grant No. 2024A1515012139)+2 种基金the Major Program (JD) of Hubei Province (Grant No. 2023BAA009)the Knowledge Innovation Program of Wuhan-Shuguang Project (Grant No. 2023010201020262)the Basic Research Program of Jiangsu (Grant No. BK20230268)。
文摘The interfacial properties of Schottky contacts crucially affect the performance of power devices. While a few studies have explored the impact of fluorine on Schottky contacts, a comprehensive theoretical explanation supported by experimental evidence remains lacking. This work investigates the effects of fluorine incorporation and electrothermal annealing(ETA) on the current transport process at Ni/β-Ga_(2)O_(3) Schottky contacts. X-ray photoelectron spectroscopy and first-principles calculations confirm the presence of fluorine substitutions for oxygen and oxygen vacancies and their lowering effect on the Schottky barrier heights. Additionally, accurate electrothermal hybrid TCAD simulations validates the extremely short-duration high temperatures(683 K) induced by ETA, which facilitates lattice rearrangement and reduces interface trap states. The interface trap states are quantitatively resolved through frequency-dependent conductance technique, showing the trap density(DT)reduction from(0.88-2.48) × 10^(11) cm^(-2)·eV^(-1) to(0.46-2.09) × 10^(11) cm^(-2)·eV^(-1). This investigation offers critical insights into the β-Ga_(2)O_(3) contacts with the collaborative treatment and solids the promotion of high-performance β-Ga_(2)O_(3) power devices.
基金supported by the National Natural Science Foundation of China(Nos.22173057,52130204,12074241,11929401,12311530675)Science and Technology Commission of Shanghai Municipality(Nos.21JC1402700,22XD1400900,20501130600,21JC1402600)High-Performance Computing Center,Shanghai Technical Service Center of Science and Engineering Computing,Shanghai University。
文摘Metal-ceramic composites combine the excellent properties of metals and ceramics,which have high strength,stability,and corrosion re-sistance.Al_(2)O_(3)/FeCo composites have been proven to be useful in ap-plications such as catalysts,mi-crowave absorption materials,and enhanced permeability dielectric.The understanding of the mechani-cal properties and dynamics at the atomic scale of the Al_(2)O_(3)/FeCo in-terface can promote the design and exploitment of metal-ceramic composites.In this work,we have obtained Young’s modulus and diffusion coefficient of the Al_(2)O_(3)/FeCo interface using molecular dynamics simulation,elucidated the structural characteristics of the Al_(2)O_(3)/FeCo interface at the atomic scale,and investigated the impact of atomic magnetism and the exter-nal magnetic field on the interface.Simulated results show that Young’s modulus of the Al_(2)O_(3)/FeCo interface is significantly improved compared with pure Al_(2)O_(3)and FeCo alloy at room and high temperatures.When the atomic magnetism and the external magnetic field are applied,Young’s modulus of the Al_(2)O_(3)/FeCo interface further increases to 612 GPa at 300 K and 602 GPa at 500 K.Moreover,the average density,diffusion coefficient,and radial distri-bution function are found to be modified substantially.This study will shed light on the atom-istic investigations of the metal-ceramic composites.
基金support from the National Natural Science Foundation of China(Grant Nos.U1860205 and 52204352)Youth Project of Hubei Natural Science Foundation(Grant No.2022CFB593)+1 种基金Key R&D Project of Hubei Province(Grant No.2022BAA021)Guiding Project of Scientific Research Plan of Hubei Provincial Department of Education(Grant No.B2022019).
文摘The interaction of MgO-MgAl_(2)O_(4)-based and MgO-Cr_(2)O_(3)-based refractories with X70 molten steel was studied by immersion experiments at 1560℃.The effects of immersion time(30 and 60 min)on the contents of total oxygen(TO),Al,Nb,Si,Mn,and Cr as well as the composition,number density,and size distribution of inclusions in the molten steel were investigated.The influence of the penetration and erosion degree of the molten steel to the refractory on the steel-refractory interface layer was analyzed.The results show that,at 1560℃,the MgO-MgAl_(2)O_(4)-based refractory can better control the contents of TO and the composition of molten steel compared with the MgO-Cr_(2)O_(3)-based refractory.The TO content is only 16×10^(-4) wt.%in the molten steel after reacted with the Mg0-MgAl_(2)O_(4)-based refractory at the end point of refining,4 accounting for 11.5%of that reacted with the MgO-Cr_(2)O_(3)-based refractory(139×10^(-4) wt.%).The number density of inclusions is only 14 mm^(-2),and the average size ofinclusions is only 1.31μm,with thelargest proportion of inclusions in 1-2μm(70%).The Al_(2)O_(3)-MnS-CaO complex inclusions in the original steel changed to complex inclusions dominated by Cr-Nb-Mn-S-O and MgO.Al_(2)O_(3),corresponding to the MgO-Cr_(2)O_(3)-based and MgO-MgAl_(2)O_(4)-based refractories,respectively.The MgO.Al_(2)O_(3) layer was formed at the reaction interface between MgO-MgAl_(2)O_(4)-based refractory and molten steel,which is helpful to restrict the erosion of refractories and the pollution of molten steel.The damage mechanism of the MgO-Cr_(2)O_(3)-based refractory is mainly permeation and chemical reaction,while the damage of the MgO-MgAl_(2)O_(4)-based refractory is mainlyscouring erosion.
文摘Interfaces and surfaces of YBa_2Cu_3O_(7-x)(YBCO)-Ag have been studied by SEM-EDX and AES.No effect of Ag on 123 structure in X-ray diffraction pattern was observed for 0.4 mol Ag doped YBCO.AES analysis indicated that Ag segregated on surface of YBCO and resulted in decrease of YBCO-metal lead resistance.In addition,solution and segregation of Ag as elemental state were often appeared on interfaces and surfaces of high temperature annealed YBCO,whether elemental Ag or compound Ag_2O and AgNO_3 adopted as doping material.
文摘In the quest for the development of thermally stable,highly active and low-cost catalysts for use in catalyzed diesel particulate filter,nano-composites are new areas of research.Therefore,we reported the easy synthesis of spinel NiCo_(2)O_(4)/perovskite LaCoO_(3) nano-composite,and its individual oxides NiCo_(2)O_(4)and LaCoO_(3) for comparison.The detailed insights into the physio-chemical characteristics of formed NiCo_(2)O_(4)/LaCoO_(3) nano-composite were done based on various characterization analysis such as X-ray diffraction(XRD),Fourier transform infrared(FT-IR),N_(2) physiosorption,scanning electron microscopy-energy dispersive spectroscopy(SEM-EDX),transmission electron microscopy(TEM),and X-ray photoelectron spectroscopy(XPS).The characterization analysis of NiCo_(2)O_(4)/LaCoO_(3) revealed the successful formation of a chemical interface possessing strong interfacial interaction,resulting in desirable physicochemical characteristics such as small crystallite size,abundant mesoporosity,high specific surface area and activation of surface lattice oxygen.Owing to the desirable characteristics,the activity results over NiCo_(2)O_(4)/LaCoO_(3) nano-composite showed the excellent CO oxidation performance and high soot oxidation activity,recyclability and thermal stability.This work mainly attempts to emphasize the effectiveness of the facile,inexpensive and conventionally used precipitation method for the successful formation of highly efficient nano-composites.
基金supported by the National Key Research and Development Program of China(No.2022YFB3708400)the National Natural Science Foundation of China(No.52305158)+1 种基金the Young Elite Scientists Sponsorship Program by CAST(No.2022QNRC001)the Science Innovation Foundation of Shanghai Academy of Spaceflight Technology(No.USCAST2021-18).
文摘Mg alloys have the defects of low stiffness,low strength,and high coefficient of thermal expansion(CTE).The composites strategy and its architecture design are effective approaches to improve the comprehensive performance of materials,but the processing difficulty,especially in ceramics forming,limits the control and innovation of material architecture.Here,combined with 3D printing and squeeze infiltration technology,two precisely controllable architectures of AZ91/Al_(2)O_(3)interpenetrating phase composites(IPC)with ceramic scaffold were prepared.The interface,properties and impact of different architecture on IPC performance were studied by experiments and finite element simulation.The metallurgical bonding of the interface was realized with the formation of MgAl_(2)O_(4)reaction layer.The IPC with 1 mm circular hole scaffold(1C-IPC)exhibited significantly improved elastic modulus of 164 GPa,high compressive strength of 680 MPa,and good CTE of 12.91×10^(-6)K^(−1),which were 3.64 times,1.98 times and 55%of the Mg matrix,respectively.Their elastic modulus,compressive strength,and CTE were superior to the vast majority of Mg alloys and Mg based composites.The reinforcement and matrix were bicontinuous and interpenetrating each other,which played a critical role in ensuring the potent strengthening effect of the Al_(2)O_(3)reinforcement by efficient load transfer.Under the same volume fraction of reinforcements,compared to IPC with 1 mm hexagonal hole scaffold(1H-IPC),the elastic modulus and compressive strength of 1C-IPC increased by 15%and 28%,respectively,which was due to the reduced stress concentration and more uniform stress distribution of 1C-IPC.It shows great potential of architecture design in improving the performance of composites.This study provides architectural design strategy and feasible preparation method for the development of high performance materials.
