Magnetite nanoparticles show promising applications in drug delivery,catalysis,and spintronics.The surface of magnetite plays an important role in these applications.Therefore,it is critical to understand the surface ...Magnetite nanoparticles show promising applications in drug delivery,catalysis,and spintronics.The surface of magnetite plays an important role in these applications.Therefore,it is critical to understand the surface structure of Fe_(3)O_(4)at atomic scale.Here,using a combination of first-principles calculations,particle swarm optimization(PSO)method and machine learning,we investigate the possible reconstruction and stability of Fe_(3)O_(4)(001)surface.The results show that besides the subsurface cation vacancy(SCV)reconstruction,an A layer with Fe vacancy(A-layer-V_(Fe))reconstruction of the(001)surface also shows very low surface energy especially at oxygen poor condition.Molecular dynamics simulation based on the iron–oxygen interaction potential function fitted by machine learning further confirms the thermodynamic stability of the A-layer-V_(Fe)reconstruction.Our results are also instructive for the study of surface reconstruction of other metal oxides.展开更多
The adsorption and diffusion of hydrogen atoms on Cu(001)are studied using first-principles calculations.By taking into account the contribution of zero-point energy(ZPE),the originally identical barriers are shown to...The adsorption and diffusion of hydrogen atoms on Cu(001)are studied using first-principles calculations.By taking into account the contribution of zero-point energy(ZPE),the originally identical barriers are shown to be different for H and D,which are respectively calculated to be~158 me V and~139 me V in height.Using the transfer matrix method(TMM),we are able to calculate the accurate probability of transmission across the barriers.The crucial role of quantum tunneling is clearly demonstrated at low-temperature region.By introducing a temperature-dependent attempting frequency prefactor,the rate constants and diffusion coefficients are calculated.The results are in agreement with the experimental measurements at temperatures from~50 K to 80 K.展开更多
The activation and dissociation of hydrogen molecules(H_(2))on the Cu(001)surface are studied theoretically.Using first-principles calculations,the activation barrier for the dissociation of H_(2) on Cu(001)is determi...The activation and dissociation of hydrogen molecules(H_(2))on the Cu(001)surface are studied theoretically.Using first-principles calculations,the activation barrier for the dissociation of H_(2) on Cu(001)is determined to be~0.59 eV in height.It is found that the electron transfer from the copper substrate to H_(2) plays a key role in the activation and breaking of the H–H bond,and the formation of the Cu–H bonds.Two stationary states are identified at around the critical height of bond breaking,corresponding to the molecular and the dissociative states,respectively.Using the transfer matrix method,we also investigate the role of quantum tunneling in the dissociation process along the minimum energy pathway(MEP),which is found to be significant at or below room temperature.At a given temperature,the tunneling contributions due to the translational and the vibrational motions of H_(2) are quantified for the dissociation process.Within a wide range of temperature,the effects of quantum tunneling on the effective barriers of dissociation and the rate constants are observed.The deduced energetic parameters associated with the thermal equilibrium and non-equilibrium(molecular beam)conditions are comparable to experimental data.In the low-temperature region,the crossover from classical to quantum regime is identified.展开更多
Systematic optimization of the photocatalyst and investigation of the role of each component is important to maximizing catalytic activity and comprehending the photocatalytic conversion of CO_(2) reduction to solar f...Systematic optimization of the photocatalyst and investigation of the role of each component is important to maximizing catalytic activity and comprehending the photocatalytic conversion of CO_(2) reduction to solar fuels.A surface-modified Ag@Ru-P25 photocatalyst with H_(2)O_(2) treatment was designed in this study to convert CO_(2) and H_(2)O vapor into highly selective CH4.Ru doping followed by Ag nanoparticles(NPs)cocatalyst deposition on P25(TiO_(2))enhances visible light absorption and charge separation,whereas H_(2)O_(2) treatment modifies the surface of the photocatalyst with hydroxyl(–OH)groups and promotes CO_(2) adsorption.High-resonance transmission electron microscopy,X-ray photoelectron spectroscopy,X-ray absorption near-edge structure,and extended X-ray absorption fine structure techniques were used to analyze the surface and chemical composition of the photocatalyst,while thermogravimetric analysis,CO_(2) adsorption isotherm,and temperature programmed desorption study were performed to examine the significance of H_(2)O_(2) treatment in increasing CO_(2) reduction activity.The optimized Ag1.0@Ru1.0-P25 photocatalyst performed excellent CO_(2) reduction activity into CO,CH4,and C2H6 with a~95%selectivity of CH4,where the activity was~135 times higher than that of pristine TiO_(2)(P25).For the first time,this work explored the effect of H_(2)O_(2) treatment on the photocatalyst that dramatically increases CO_(2) reduction activity.展开更多
We experimentally and theoretically present a paradigm for the accurate bilayer design of gradient metasurfaces for wave beam manipulation,producing an extremely asymmetric splitting effect by simply tailoring the int...We experimentally and theoretically present a paradigm for the accurate bilayer design of gradient metasurfaces for wave beam manipulation,producing an extremely asymmetric splitting effect by simply tailoring the interlayer size.This concept arises from anomalous diffraction in phase gradient metasurfaces and the precise combination of the phase gradient in bilayer metasurfaces.Ensured by different diffraction routes in momentum space for incident beams from opposite directions,extremely asymmetric acoustic beam splitting can be generated in a robust way,as demonstrated in experiments through a designed bilayer system.Our work provides a novel approach and feasible platform for designing tunable devices to control wave propagation.展开更多
The monomolecular surface layer of acceptor doped CeO_(2) may become neutral and metallic or charged and semiconducting.This is revealed in the theoretical analysis of the oxygen pressure dependence of the surface def...The monomolecular surface layer of acceptor doped CeO_(2) may become neutral and metallic or charged and semiconducting.This is revealed in the theoretical analysis of the oxygen pressure dependence of the surface defects concentration in acceptor doped ceria with two different dopant types and operated under different oxygen pressures.Recently published experimental data for highly reduced Sm0.2Ce0.8O1.9-x(SDC)containing a fixed valence dopant Sm3+are very different from those published for Pr0.1Ce0.9O_(2)-x(PCO) with the variable valence dopant Pr4+/Pr3+being reduced under milder conditions.The theoretical analysis of these experimental results fits very well the experimental results of SDC and PCO.It leads to the following predictions:the highly reduced surface of SDC is metallic and neutral,the metallic surface electron density of state is gs=0.9×10^(38)J-1·m^(-2)(1.4×1015eV^(-1)·cm^(-2)),the electron effective mass is meff,s=3.3me,and the phase diagram of the reduced surface has theα(fcc)structure as in the bulk.In PCO a double layer is predicted to be formed between the surface and the bulk with the surface being negatively charged and semiconducting.The surface of PCO maintains high Pr^(3+) defect concentration as well as relative high oxygen vacancy concentration at oxygen pressures higher than in the bulk.The reasons for the difference between a metallic and semiconducting surface layer of acceptor doped CeO_(2) are reviewed,as well as the key theoretical considerations applied in coping with this problem.For that we make use of the experimental data and theoretical analysis available for acceptor doped ceria.展开更多
Surface metallization of glass fiber(GF)/polyetheretherketone(PEEK)[GF/PEEK] is conducted by coating copper using electroplating and magnetron sputtering and the properties are determined by X-ray diffraction(XRD), sc...Surface metallization of glass fiber(GF)/polyetheretherketone(PEEK)[GF/PEEK] is conducted by coating copper using electroplating and magnetron sputtering and the properties are determined by X-ray diffraction(XRD), scanning electron microscopy(SEM), and electron backscatter diffraction(EBSD).The coating bonding strength is assessed by pull-out tests and scribing in accordance with GB/T 9286-1998.The results show that the Cu coating with a thickness of 30 μm deposited on GF/PEEK by magnetron sputtering has lower roughness, finer grain size, higher crystallinity, as well as better macroscopic compressive stress,bonding strength, and electrical conductivity than the Cu coating deposited by electroplating.展开更多
A trigger system is typically employed in active seismic testing to trigger and synchronize multichannel surface wave data acquisition.The effect of the trigger system on the dispersion image of surface waves is empir...A trigger system is typically employed in active seismic testing to trigger and synchronize multichannel surface wave data acquisition.The effect of the trigger system on the dispersion image of surface waves is empirically known to be negligible,however,theoretical explanation regarding the effect of the trigger system is insufficient.This study systematically examines the theory for surface wave dispersion analysis and proves that the effect of the trigger system on a dispersion image is negligible via a solid theoretical explanation.Subsequently,based on the new theoretical explanation,an alternative method that uses only the relative phase difference between sensors to extract dispersion characteristics with better conceptual clarity is proposed.Two active surface wave testing cases are considered to validate the theory and method.The results indicate that(1)an accurate trigger system is not necessary for surface wave data acquisition,and(2)it is unnecessary to assume that the impact point is the generation point of the surface waves for the experimental dispersion analysis.展开更多
The efficient separation of chalcopyrite(CuFeS2)and galena(PbS)is essential for optimal resource utilization.However,find-ing a selective depressant that is environmentally friendly and cost effective remains a challe...The efficient separation of chalcopyrite(CuFeS2)and galena(PbS)is essential for optimal resource utilization.However,find-ing a selective depressant that is environmentally friendly and cost effective remains a challenge.Through various techniques,such as mi-croflotation tests,Fourier transform infrared spectroscopy,scanning electron microscopy(SEM)observation,X-ray photoelectron spec-troscopy(XPS),and Raman spectroscopy measurements,this study explored the use of ferric ions(Fe^(3+))as a selective depressant for ga-lena.The results of flotation tests revealed the impressive selective inhibition capabilities of Fe^(3+)when used alone.Surface analysis showed that Fe^(3+)significantly reduced the adsorption of isopropyl ethyl thionocarbamate(IPETC)on the galena surface while having a minimal impact on chalcopyrite.Further analysis using SEM,XPS,and Raman spectra revealed that Fe^(3+)can oxidize lead sulfide to form compact lead sulfate nanoparticles on the galena surface,effectively depressing IPETC adsorption and increasing surface hydrophilicity.These findings provide a promising solution for the efficient and environmentally responsible separation of chalcopyrite and galena.展开更多
In seismology and earthquake engineering,it is fundamental to identify and characterize the pulse-like features in pulse-type ground motions.To capture the pulses that dominate structural responses,this study establis...In seismology and earthquake engineering,it is fundamental to identify and characterize the pulse-like features in pulse-type ground motions.To capture the pulses that dominate structural responses,this study establishes congruence and shift relationships between response spectrum surfaces.A similarity search between spectrum surfaces,supplemented with a similarity search in time series,has been applied to characterize the pulse-like features in pulse-type ground motions.The identified pulses are tested in predicting the rocking consequences of slender rectangular blocks under the original ground motions.Generally,the prediction is promising for the majority of the ground motions where the dominant pulse is correctly identified.展开更多
The southern margin of the Gurbantunggut Desert,China,is characterized by alternating layers of aeolian and alluvial deposits.Investigating the characteristics of arenaceous sediment in this area is of significant imp...The southern margin of the Gurbantunggut Desert,China,is characterized by alternating layers of aeolian and alluvial deposits.Investigating the characteristics of arenaceous sediment in this area is of significant importance for understanding the interactive processes of wind and water forces,as well as the provenance of sediment.However,there are relatively few investigations on the characteristics of such sediment at present.In this study,we researched three aeolian-alluvial interactive stratigraphic profiles and different types of surface sediment on the desert-oasis transitional zone of southern margin of the Gurbantunggut Desert.Based on the optically stimulated luminescence(OSL)dating of aeolian sand and analyses of quartz sand grain size and surface micro-texture,we explored the aeolian-alluvial environmental change at southern margin of the desert in Holocene,as well as the provenance of sediment.The results indicated that the grain size characteristics of different types of sediment in the stratigraphic profiles were similar to those of modern dune sand,interdune sand,muddy desert surface soil,and riverbed sand.Their frequency curves were unimodal or bimodal,and cumulative probability curves were two-segment or three-segment,mainly composed of suspension load and saltation load.The quartz sand in the sediment at southern margin of the desert had undergone alternating transformation of various exogenic forces,with short transportation distance and time,and sedimentary environment was relatively humid.In Holocene,southern margin of the desert primarily featured braided river deposits,and during intermittent period of river activity,there were also aeolian deposits such as sand sheet deposits,stabilized dune deposits,and mobile dune deposits.The provenance for Holocene alluvial deposits at southern margin of the desert remains relatively constant,with the debris of the Tianshan Mountains being the primary provenance.Aeolian sand is mainly near-source recharge,which is formed by in situ deposition of fluvial or lacustrine materials in southern margin of the desert transported by wind erosion,and its provenance was still the weathered debris of the Tianshan Mountains.In addition,the sand in interior of the desert may be transported by northwest wind in desert-scale,thus affecting the development of dunes in southern margin of the desert.The results of this study provide a reference for understanding the composition and provenance changes of desert sand in the context of global climate change.展开更多
To improve the surface quality for aluminum alloy 6061(Al6061) in ultra-precision machining, we investigated the factors affecting the surface finish in single point diamond turning(SPDT)by studying influence of the p...To improve the surface quality for aluminum alloy 6061(Al6061) in ultra-precision machining, we investigated the factors affecting the surface finish in single point diamond turning(SPDT)by studying influence of the precipitates generation of Al6061 on surface integrity and surface roughness.Based on the Johnson-Mehl-Avrami solid phase transformation kinetics equation, theoretical and experimental studies were conducted to build the relationship between the aging condition and the type, size and number of the precipitates for Al6061. Diamond cutting experiments were conducted to machine Al6061 samples under different aging conditions. The experimental results show that, the protruding on the chip surface is mainly Mg_(2)Si and the scratches on the machined surface mostly come from the iron-containing phase(α-, β-AlFeSi).Moreover, the generated Mg_(2)Si and α-, β-AlFeSi affect the surface integrity and the diamond turned surface roughness. Especially, the achieved surface roughness in SPDT is consistent with the variation of the number of AlFeSi and Mg_(2)Si with the medium size(more than 1 μm and less than 2 μm) in Al6061.展开更多
The aim of this study is to investigate the sea surface temperature(SST) cooling as typhoons pass the Kuroshio Current.A numerical circulation model,denoted as the Stony Brook Parallel Ocean Model(sbPOM),was used to s...The aim of this study is to investigate the sea surface temperature(SST) cooling as typhoons pass the Kuroshio Current.A numerical circulation model,denoted as the Stony Brook Parallel Ocean Model(sbPOM),was used to simulate the SST,which includes four wave-induced effect terms(i.e.,radiation stress,nonbreaking waves,Stokes drift,and breaking waves) simulated using the third-generation wave model,called WAVEWATCH-Ⅲ(WW3).The significant wave height(SWH) measurements from the Jason-2 altimeter were used to validate the WW3-simulated results,yielding a root mean square error(RMSE) of less than 0.50 m and a correlation coefficient(COR) of approximately 0.93.The water temperature measured from the Advanced Research and Global Observation Satellite was applied to validate the model simulation.Accordingly,the RMSE of the SST is 0.92℃ with a COR of approximately 0.99.As revealed in the sbPOM-simulated SST fields,a reduction in the SST at the Kuroshio Current region was observed as a typhoon passed,although the water temperature of the Kuroshio Current is relatively high.The variation of the SST is consistent with that of the current,whereas the maximum SST lagged behind the occurrence of the peak SWH.Moreover,the Stokes drift plays an important role in the SST cooling after analyzing four wave-induced terms in the background of the Kuroshio Current.The sensitivity experiment also showed that the accuracy of the water temperature was significantly reduced when including breaking waves,which play a negative role in the inside part of the ocean.The variation in the mean mixing layer depth(MLD) showed that a typhoon could enhance the mean MLD in the Kuroshio Current area in September and October,whereas a typhoon has little influence on the mean MLD in the Kuroshio Current area in May.Moreover,the mean MLD rapidly decreased with the weakening of the strong wind force and wave-induced effects when a typhoon crossed the Kuroshio Current.展开更多
Segment Anything Model(SAM)is a cutting-edge model that has shown impressive performance in general object segmentation.The birth of the segment anything is a groundbreaking step towards creating a universal intellige...Segment Anything Model(SAM)is a cutting-edge model that has shown impressive performance in general object segmentation.The birth of the segment anything is a groundbreaking step towards creating a universal intelligent model.Due to its superior performance in general object segmentation,it quickly gained attention and interest.This makes SAM particularly attractive in industrial surface defect segmentation,especially for complex industrial scenes with limited training data.However,its segmentation ability for specific industrial scenes remains unknown.Therefore,in this work,we select three representative and complex industrial surface defect detection scenarios,namely strip steel surface defects,tile surface defects,and rail surface defects,to evaluate the segmentation performance of SAM.Our results show that although SAM has great potential in general object segmentation,it cannot achieve satisfactory performance in complex industrial scenes.Our test results are available at:https://github.com/VDT-2048/SAM-IS.展开更多
MXenes,the most recent addition to the 2D material family,have attracted significant attention owing to their distinctive characteristics,including high surface area,conductivity,surface characteristics,mechanical str...MXenes,the most recent addition to the 2D material family,have attracted significant attention owing to their distinctive characteristics,including high surface area,conductivity,surface characteristics,mechanical strength,etc.This review begins by presenting MXenes,providing insights into their structural characteristics,synthesis methods,and surface functional groups.The review covers a thorough analysis of MXene surface properties,including surface chemistry and termination group impacts.The properties of MXenes are influenced by their synthesis,which can be fluorine-based or fluorinedependent.Fluorine-based synthesis techniques involve etching with fluorine-based reagents,mainly including HF or LiF/HCl,while fluorine-free methods include electrochemical etching,chemical vapor deposition(CVD),alkaline etching,Lewis acid-based etching,etc.These techniques result in the emergence of functional groups such as-F,-O,-OH,-Cl,etc.on the MXenes surface,depending on the synthesis method used.Properties of MXenes,such as electrical conductivity,electronic properties,catalytic activity,magnetic properties,mechanical strength,and chemical and thermal stability,are examined,and the role of functional groups in determining these properties is explored.The review delves into the diverse applications of MXenes,encompassing supercapacitors,battery materials,hydrogen storage,fuel cells,electromagnetic interference(EMI) shielding,pollutant removal,water purification,flexible electronics,sensors,additive manufacturing,catalysis,biomedical and healthcare fields,etc.Finally,this article outlines the challenges and opportunities in the current and future development of MXenes research,addressing various aspects such as synthesis scalability,etching challenges,and multifunctionality,and exploring novel applications.The review concludes with future prospects and conclusions envisioning the impact of MXenes on future technologies and innovation.展开更多
Surface reconstruction yields real active species in electrochemical oxygen evolution reaction(OER)conditions;however,rationally regulating reconstruction in a targeted manner for constructing highly active OER electr...Surface reconstruction yields real active species in electrochemical oxygen evolution reaction(OER)conditions;however,rationally regulating reconstruction in a targeted manner for constructing highly active OER electrocatalysts remains a formidable challenge.Here,an electrochemical activation strategy with selective etching was utilized to guide the reconstruction process of a hybrid cobalt-molybdenum oxide(CoMoO_(4)/Co_(3)O_(4)@CC)in a favorable direction to improve the OER performance.Both in-situ Raman and multiple ex-situ characterization tools demonstrate that controlled surface reconstruction can be easily achieved through Mo etching,with the formation of a dynamically stable amorphous-crystalline heterostructure.Theoretical calculations together with experimental results reveal that the synergistic effects between amorphous CoOOH and crystalline Co_(3)O_(4) are crucial in enhancing the catalytic performance.Consequently,the reconstructed CoMoO_(4)/Co_(3)O_(4)@CC exhibits a low overpotential of 250 mV to achieve a current density of 10 mA cm^(-2) in 1 M KOH,and more importantly it can be practiced in electrolytic water splitting and rechargeable zinc-air batteries devices,achieving ultra-long stability for over 500 and 1200 h,respectively.This work provides a promising route for the construction of high-performance electrocatalysts.展开更多
Straw mulching is a widespread practice for reducing the soil carbon loss caused by erosion.However,the effects of straw mulching on dissolved organic matter(DOM)runoff loss from black soil are not well studied.How st...Straw mulching is a widespread practice for reducing the soil carbon loss caused by erosion.However,the effects of straw mulching on dissolved organic matter(DOM)runoff loss from black soil are not well studied.How straw mulching affects the composition and loss of runoff DOM by changing soil aggregates remains largely unclear.Here,a straw mulching treatment was compared to a no mulching treatment(as a control)on sloping farmland with black soil erosion in Northeast China.We divided the soil into large macroaggregates(>2 mm),small macroaggregates(0.25-2 mm),and microaggregates(<0.25 mm).After five rain events,the effects of straw mulching on the concentration(characterized by dissolved organic carbon(DoC)and composition(analyzed by fluorescence spectroscopy)of runoff and soil aggregate DOM were studied.The results showed that straw mulching reduced the runoff amount by 54.7%.Therefore,although straw mulching increased the average DOc concentration in runoff,it reduced the total runoff DOM loss by 48.3%.The composition of runoff DOM is similar to that of soil,as both contain humic-like acid and protein-like components.With straw mulching treatment,the protein-like components in small macroaggregates accumulated and the protein-like components in runoff declined with rain events.Fluorescence spectroscopy technology may help in understanding the hydrological paths of rain events by capturing the dynamic changes of runoff and soil DOM characteristics.A variation partitioning analysis(VPA)indicated that the DOM concentration and composition of microaggregates explained 68.2%of the change in runoff DOM from no mulching plots,while the change in runoff DOM from straw mulching plots was dominated by small macroaggregates at a rate of 55.1%.Taken together,our results demonstrated that straw mulching reduces the fragmentation of small macroaggregates and the loss of microaggregates,thus effecting DOM compositions in soil and reducing the DOM loss in runoff.These results provide a theoretical basis for reducing carbon loss in sloping farmland.展开更多
The ohmic contact interface between diamond and metal is essential for the application of diamond detectors.Surface modification can significantly affect the contact performance and eliminate the interface polarizatio...The ohmic contact interface between diamond and metal is essential for the application of diamond detectors.Surface modification can significantly affect the contact performance and eliminate the interface polarization effect.However,the radiation stability of a diamond detector is also sensitive to surface modification.In this work,the influence of surface modification technology on a diamond ohmic contact under high-energy radiation was investigated.Before radiation,the specific contact resistivities(ρc)between Ti/Pt/Au-hydrogen-terminated diamond(H-diamond)and Ti/Pt/Au-oxygenterminated diamond(O-diamond)were 2.0×10^(-4)W·cm^(2) and 4.3×10^(-3)Wcm^(2),respectively.After 10 MeV electron radiation,the ρc of Ti/Pt/Au H-diamond and Ti/Pt/Au O-diamond were 5.3×10^(-3)W·cm^(2)and 9.1×10^(-3)W·cm^(2),respectively.The rates of change of ρc of H-diamond and O-diamond after radiation were 2550%and 112%,respectively.The electron radiation promotes bond reconstruction of the diamond surface,resulting in an increase in ρc.展开更多
基金the National Natural Science Foundation of China(Grant Nos.12004064,12074053,and 91961204)the Fundamental Research Funds for the Central Universities(Grant No.DUT22LK11)XingLiaoYingCai Project of Liaoning Province,China(Grant No.XLYC1907163)。
文摘Magnetite nanoparticles show promising applications in drug delivery,catalysis,and spintronics.The surface of magnetite plays an important role in these applications.Therefore,it is critical to understand the surface structure of Fe_(3)O_(4)at atomic scale.Here,using a combination of first-principles calculations,particle swarm optimization(PSO)method and machine learning,we investigate the possible reconstruction and stability of Fe_(3)O_(4)(001)surface.The results show that besides the subsurface cation vacancy(SCV)reconstruction,an A layer with Fe vacancy(A-layer-V_(Fe))reconstruction of the(001)surface also shows very low surface energy especially at oxygen poor condition.Molecular dynamics simulation based on the iron–oxygen interaction potential function fitted by machine learning further confirms the thermodynamic stability of the A-layer-V_(Fe)reconstruction.Our results are also instructive for the study of surface reconstruction of other metal oxides.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11474285 and 12074382)。
文摘The adsorption and diffusion of hydrogen atoms on Cu(001)are studied using first-principles calculations.By taking into account the contribution of zero-point energy(ZPE),the originally identical barriers are shown to be different for H and D,which are respectively calculated to be~158 me V and~139 me V in height.Using the transfer matrix method(TMM),we are able to calculate the accurate probability of transmission across the barriers.The crucial role of quantum tunneling is clearly demonstrated at low-temperature region.By introducing a temperature-dependent attempting frequency prefactor,the rate constants and diffusion coefficients are calculated.The results are in agreement with the experimental measurements at temperatures from~50 K to 80 K.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.11474285 and 12074382)。
文摘The activation and dissociation of hydrogen molecules(H_(2))on the Cu(001)surface are studied theoretically.Using first-principles calculations,the activation barrier for the dissociation of H_(2) on Cu(001)is determined to be~0.59 eV in height.It is found that the electron transfer from the copper substrate to H_(2) plays a key role in the activation and breaking of the H–H bond,and the formation of the Cu–H bonds.Two stationary states are identified at around the critical height of bond breaking,corresponding to the molecular and the dissociative states,respectively.Using the transfer matrix method,we also investigate the role of quantum tunneling in the dissociation process along the minimum energy pathway(MEP),which is found to be significant at or below room temperature.At a given temperature,the tunneling contributions due to the translational and the vibrational motions of H_(2) are quantified for the dissociation process.Within a wide range of temperature,the effects of quantum tunneling on the effective barriers of dissociation and the rate constants are observed.The deduced energetic parameters associated with the thermal equilibrium and non-equilibrium(molecular beam)conditions are comparable to experimental data.In the low-temperature region,the crossover from classical to quantum regime is identified.
基金supported by the Ministry of Science and ICT in Korea(2021R1A2C2009459)X-ray absorption spectra were obtained from Pohang Accelerator Laboratory(PAL)10C beamlinesupported by the US Department of Energy,Office of Science,Office of Advanced Scientific Computing Research,and Scientific Discovery through Advanced Computing(SciDAC)program under Award Number DE-SC0022209.
文摘Systematic optimization of the photocatalyst and investigation of the role of each component is important to maximizing catalytic activity and comprehending the photocatalytic conversion of CO_(2) reduction to solar fuels.A surface-modified Ag@Ru-P25 photocatalyst with H_(2)O_(2) treatment was designed in this study to convert CO_(2) and H_(2)O vapor into highly selective CH4.Ru doping followed by Ag nanoparticles(NPs)cocatalyst deposition on P25(TiO_(2))enhances visible light absorption and charge separation,whereas H_(2)O_(2) treatment modifies the surface of the photocatalyst with hydroxyl(–OH)groups and promotes CO_(2) adsorption.High-resonance transmission electron microscopy,X-ray photoelectron spectroscopy,X-ray absorption near-edge structure,and extended X-ray absorption fine structure techniques were used to analyze the surface and chemical composition of the photocatalyst,while thermogravimetric analysis,CO_(2) adsorption isotherm,and temperature programmed desorption study were performed to examine the significance of H_(2)O_(2) treatment in increasing CO_(2) reduction activity.The optimized Ag1.0@Ru1.0-P25 photocatalyst performed excellent CO_(2) reduction activity into CO,CH4,and C2H6 with a~95%selectivity of CH4,where the activity was~135 times higher than that of pristine TiO_(2)(P25).For the first time,this work explored the effect of H_(2)O_(2) treatment on the photocatalyst that dramatically increases CO_(2) reduction activity.
文摘We experimentally and theoretically present a paradigm for the accurate bilayer design of gradient metasurfaces for wave beam manipulation,producing an extremely asymmetric splitting effect by simply tailoring the interlayer size.This concept arises from anomalous diffraction in phase gradient metasurfaces and the precise combination of the phase gradient in bilayer metasurfaces.Ensured by different diffraction routes in momentum space for incident beams from opposite directions,extremely asymmetric acoustic beam splitting can be generated in a robust way,as demonstrated in experiments through a designed bilayer system.Our work provides a novel approach and feasible platform for designing tunable devices to control wave propagation.
基金financially supported by the Technion V.P.for Research Fund(No.2023320)。
文摘The monomolecular surface layer of acceptor doped CeO_(2) may become neutral and metallic or charged and semiconducting.This is revealed in the theoretical analysis of the oxygen pressure dependence of the surface defects concentration in acceptor doped ceria with two different dopant types and operated under different oxygen pressures.Recently published experimental data for highly reduced Sm0.2Ce0.8O1.9-x(SDC)containing a fixed valence dopant Sm3+are very different from those published for Pr0.1Ce0.9O_(2)-x(PCO) with the variable valence dopant Pr4+/Pr3+being reduced under milder conditions.The theoretical analysis of these experimental results fits very well the experimental results of SDC and PCO.It leads to the following predictions:the highly reduced surface of SDC is metallic and neutral,the metallic surface electron density of state is gs=0.9×10^(38)J-1·m^(-2)(1.4×1015eV^(-1)·cm^(-2)),the electron effective mass is meff,s=3.3me,and the phase diagram of the reduced surface has theα(fcc)structure as in the bulk.In PCO a double layer is predicted to be formed between the surface and the bulk with the surface being negatively charged and semiconducting.The surface of PCO maintains high Pr^(3+) defect concentration as well as relative high oxygen vacancy concentration at oxygen pressures higher than in the bulk.The reasons for the difference between a metallic and semiconducting surface layer of acceptor doped CeO_(2) are reviewed,as well as the key theoretical considerations applied in coping with this problem.For that we make use of the experimental data and theoretical analysis available for acceptor doped ceria.
基金Funded by Shenzhen-Hong Kong Innovative Collaborative Research and Development Program (Nos.SGLH20181109 110802117, CityU 9240014)Innovation Project of Southwestern Institute of Physics (Nos.202001XWCXYD002, 202301XWCX003)CNNC Young Talent Program (No.2023JZYF-01)。
文摘Surface metallization of glass fiber(GF)/polyetheretherketone(PEEK)[GF/PEEK] is conducted by coating copper using electroplating and magnetron sputtering and the properties are determined by X-ray diffraction(XRD), scanning electron microscopy(SEM), and electron backscatter diffraction(EBSD).The coating bonding strength is assessed by pull-out tests and scribing in accordance with GB/T 9286-1998.The results show that the Cu coating with a thickness of 30 μm deposited on GF/PEEK by magnetron sputtering has lower roughness, finer grain size, higher crystallinity, as well as better macroscopic compressive stress,bonding strength, and electrical conductivity than the Cu coating deposited by electroplating.
基金Natural Science Foundation of Hubei Province of China for Distinguished Young Scholars (2023AFA099)Natural Science Foundation of Hubei Province of China for Key Projects (Innovation Group) (2023AFA030)National Natural Science Foundation of China (52178471)。
文摘A trigger system is typically employed in active seismic testing to trigger and synchronize multichannel surface wave data acquisition.The effect of the trigger system on the dispersion image of surface waves is empirically known to be negligible,however,theoretical explanation regarding the effect of the trigger system is insufficient.This study systematically examines the theory for surface wave dispersion analysis and proves that the effect of the trigger system on a dispersion image is negligible via a solid theoretical explanation.Subsequently,based on the new theoretical explanation,an alternative method that uses only the relative phase difference between sensors to extract dispersion characteristics with better conceptual clarity is proposed.Two active surface wave testing cases are considered to validate the theory and method.The results indicate that(1)an accurate trigger system is not necessary for surface wave data acquisition,and(2)it is unnecessary to assume that the impact point is the generation point of the surface waves for the experimental dispersion analysis.
基金the National Natural Science Foundation of China(Nos.52204298 and 52004335)the National Key R&D Program of China(Nos.2022YFC2904502 and 2022YFC2904501)+1 种基金the Major Science and Technology Projects in Yunnan Province(No.202202AB080012)the Science Research Initiation Fund of Central South University(No.202044019).
文摘The efficient separation of chalcopyrite(CuFeS2)and galena(PbS)is essential for optimal resource utilization.However,find-ing a selective depressant that is environmentally friendly and cost effective remains a challenge.Through various techniques,such as mi-croflotation tests,Fourier transform infrared spectroscopy,scanning electron microscopy(SEM)observation,X-ray photoelectron spec-troscopy(XPS),and Raman spectroscopy measurements,this study explored the use of ferric ions(Fe^(3+))as a selective depressant for ga-lena.The results of flotation tests revealed the impressive selective inhibition capabilities of Fe^(3+)when used alone.Surface analysis showed that Fe^(3+)significantly reduced the adsorption of isopropyl ethyl thionocarbamate(IPETC)on the galena surface while having a minimal impact on chalcopyrite.Further analysis using SEM,XPS,and Raman spectra revealed that Fe^(3+)can oxidize lead sulfide to form compact lead sulfate nanoparticles on the galena surface,effectively depressing IPETC adsorption and increasing surface hydrophilicity.These findings provide a promising solution for the efficient and environmentally responsible separation of chalcopyrite and galena.
基金National Key Research and Development Program,Ministry of Science and Technology of China under Grant No.2022YFC3803004the National Natural Science Foundation of China under Grant No.51838004。
文摘In seismology and earthquake engineering,it is fundamental to identify and characterize the pulse-like features in pulse-type ground motions.To capture the pulses that dominate structural responses,this study establishes congruence and shift relationships between response spectrum surfaces.A similarity search between spectrum surfaces,supplemented with a similarity search in time series,has been applied to characterize the pulse-like features in pulse-type ground motions.The identified pulses are tested in predicting the rocking consequences of slender rectangular blocks under the original ground motions.Generally,the prediction is promising for the majority of the ground motions where the dominant pulse is correctly identified.
基金the National Natural Science Foundation of China(42071011)the 2023 Annual Postgraduate Research and Innovation Foundation of Fujian Normal University,China.
文摘The southern margin of the Gurbantunggut Desert,China,is characterized by alternating layers of aeolian and alluvial deposits.Investigating the characteristics of arenaceous sediment in this area is of significant importance for understanding the interactive processes of wind and water forces,as well as the provenance of sediment.However,there are relatively few investigations on the characteristics of such sediment at present.In this study,we researched three aeolian-alluvial interactive stratigraphic profiles and different types of surface sediment on the desert-oasis transitional zone of southern margin of the Gurbantunggut Desert.Based on the optically stimulated luminescence(OSL)dating of aeolian sand and analyses of quartz sand grain size and surface micro-texture,we explored the aeolian-alluvial environmental change at southern margin of the desert in Holocene,as well as the provenance of sediment.The results indicated that the grain size characteristics of different types of sediment in the stratigraphic profiles were similar to those of modern dune sand,interdune sand,muddy desert surface soil,and riverbed sand.Their frequency curves were unimodal or bimodal,and cumulative probability curves were two-segment or three-segment,mainly composed of suspension load and saltation load.The quartz sand in the sediment at southern margin of the desert had undergone alternating transformation of various exogenic forces,with short transportation distance and time,and sedimentary environment was relatively humid.In Holocene,southern margin of the desert primarily featured braided river deposits,and during intermittent period of river activity,there were also aeolian deposits such as sand sheet deposits,stabilized dune deposits,and mobile dune deposits.The provenance for Holocene alluvial deposits at southern margin of the desert remains relatively constant,with the debris of the Tianshan Mountains being the primary provenance.Aeolian sand is mainly near-source recharge,which is formed by in situ deposition of fluvial or lacustrine materials in southern margin of the desert transported by wind erosion,and its provenance was still the weathered debris of the Tianshan Mountains.In addition,the sand in interior of the desert may be transported by northwest wind in desert-scale,thus affecting the development of dunes in southern margin of the desert.The results of this study provide a reference for understanding the composition and provenance changes of desert sand in the context of global climate change.
基金Funded by Natural Science Foundation of Guangdong Province,China (No.2017A030313330)Science and Technology Program of Guangzhou (No.201804020040)。
文摘To improve the surface quality for aluminum alloy 6061(Al6061) in ultra-precision machining, we investigated the factors affecting the surface finish in single point diamond turning(SPDT)by studying influence of the precipitates generation of Al6061 on surface integrity and surface roughness.Based on the Johnson-Mehl-Avrami solid phase transformation kinetics equation, theoretical and experimental studies were conducted to build the relationship between the aging condition and the type, size and number of the precipitates for Al6061. Diamond cutting experiments were conducted to machine Al6061 samples under different aging conditions. The experimental results show that, the protruding on the chip surface is mainly Mg_(2)Si and the scratches on the machined surface mostly come from the iron-containing phase(α-, β-AlFeSi).Moreover, the generated Mg_(2)Si and α-, β-AlFeSi affect the surface integrity and the diamond turned surface roughness. Especially, the achieved surface roughness in SPDT is consistent with the variation of the number of AlFeSi and Mg_(2)Si with the medium size(more than 1 μm and less than 2 μm) in Al6061.
基金supported by the National Natural Science Foundation of China(Nos.42076238,42176012,and 42130402)the National Key Research and Development Program of China(No.2021YFC3101702)the Shanghai Frontiers Research Center of the Hadal Biosphere.
文摘The aim of this study is to investigate the sea surface temperature(SST) cooling as typhoons pass the Kuroshio Current.A numerical circulation model,denoted as the Stony Brook Parallel Ocean Model(sbPOM),was used to simulate the SST,which includes four wave-induced effect terms(i.e.,radiation stress,nonbreaking waves,Stokes drift,and breaking waves) simulated using the third-generation wave model,called WAVEWATCH-Ⅲ(WW3).The significant wave height(SWH) measurements from the Jason-2 altimeter were used to validate the WW3-simulated results,yielding a root mean square error(RMSE) of less than 0.50 m and a correlation coefficient(COR) of approximately 0.93.The water temperature measured from the Advanced Research and Global Observation Satellite was applied to validate the model simulation.Accordingly,the RMSE of the SST is 0.92℃ with a COR of approximately 0.99.As revealed in the sbPOM-simulated SST fields,a reduction in the SST at the Kuroshio Current region was observed as a typhoon passed,although the water temperature of the Kuroshio Current is relatively high.The variation of the SST is consistent with that of the current,whereas the maximum SST lagged behind the occurrence of the peak SWH.Moreover,the Stokes drift plays an important role in the SST cooling after analyzing four wave-induced terms in the background of the Kuroshio Current.The sensitivity experiment also showed that the accuracy of the water temperature was significantly reduced when including breaking waves,which play a negative role in the inside part of the ocean.The variation in the mean mixing layer depth(MLD) showed that a typhoon could enhance the mean MLD in the Kuroshio Current area in September and October,whereas a typhoon has little influence on the mean MLD in the Kuroshio Current area in May.Moreover,the mean MLD rapidly decreased with the weakening of the strong wind force and wave-induced effects when a typhoon crossed the Kuroshio Current.
基金supported by the National Natural Science Foundation of China(51805078)Project of National Key Laboratory of Advanced Casting Technologies(CAT2023-002)the 111 Project(B16009).
文摘Segment Anything Model(SAM)is a cutting-edge model that has shown impressive performance in general object segmentation.The birth of the segment anything is a groundbreaking step towards creating a universal intelligent model.Due to its superior performance in general object segmentation,it quickly gained attention and interest.This makes SAM particularly attractive in industrial surface defect segmentation,especially for complex industrial scenes with limited training data.However,its segmentation ability for specific industrial scenes remains unknown.Therefore,in this work,we select three representative and complex industrial surface defect detection scenarios,namely strip steel surface defects,tile surface defects,and rail surface defects,to evaluate the segmentation performance of SAM.Our results show that although SAM has great potential in general object segmentation,it cannot achieve satisfactory performance in complex industrial scenes.Our test results are available at:https://github.com/VDT-2048/SAM-IS.
基金supported by the National Research Foundation of Korea(NRF)grant funded by the Korean government(MSIT)(NRF-2020R1A6A1A03043435 and 2020R1A2C1099862)supported by the Korea Institute for Advancement of Technology(KIAT)grant funded by the Korean Government(MOTIE)(P0012451,The Competency Development Program for Industry Specialist)。
文摘MXenes,the most recent addition to the 2D material family,have attracted significant attention owing to their distinctive characteristics,including high surface area,conductivity,surface characteristics,mechanical strength,etc.This review begins by presenting MXenes,providing insights into their structural characteristics,synthesis methods,and surface functional groups.The review covers a thorough analysis of MXene surface properties,including surface chemistry and termination group impacts.The properties of MXenes are influenced by their synthesis,which can be fluorine-based or fluorinedependent.Fluorine-based synthesis techniques involve etching with fluorine-based reagents,mainly including HF or LiF/HCl,while fluorine-free methods include electrochemical etching,chemical vapor deposition(CVD),alkaline etching,Lewis acid-based etching,etc.These techniques result in the emergence of functional groups such as-F,-O,-OH,-Cl,etc.on the MXenes surface,depending on the synthesis method used.Properties of MXenes,such as electrical conductivity,electronic properties,catalytic activity,magnetic properties,mechanical strength,and chemical and thermal stability,are examined,and the role of functional groups in determining these properties is explored.The review delves into the diverse applications of MXenes,encompassing supercapacitors,battery materials,hydrogen storage,fuel cells,electromagnetic interference(EMI) shielding,pollutant removal,water purification,flexible electronics,sensors,additive manufacturing,catalysis,biomedical and healthcare fields,etc.Finally,this article outlines the challenges and opportunities in the current and future development of MXenes research,addressing various aspects such as synthesis scalability,etching challenges,and multifunctionality,and exploring novel applications.The review concludes with future prospects and conclusions envisioning the impact of MXenes on future technologies and innovation.
基金supported by the financial support of the Guangxi Science and Technology Major Projects(Guike AA23023033)。
文摘Surface reconstruction yields real active species in electrochemical oxygen evolution reaction(OER)conditions;however,rationally regulating reconstruction in a targeted manner for constructing highly active OER electrocatalysts remains a formidable challenge.Here,an electrochemical activation strategy with selective etching was utilized to guide the reconstruction process of a hybrid cobalt-molybdenum oxide(CoMoO_(4)/Co_(3)O_(4)@CC)in a favorable direction to improve the OER performance.Both in-situ Raman and multiple ex-situ characterization tools demonstrate that controlled surface reconstruction can be easily achieved through Mo etching,with the formation of a dynamically stable amorphous-crystalline heterostructure.Theoretical calculations together with experimental results reveal that the synergistic effects between amorphous CoOOH and crystalline Co_(3)O_(4) are crucial in enhancing the catalytic performance.Consequently,the reconstructed CoMoO_(4)/Co_(3)O_(4)@CC exhibits a low overpotential of 250 mV to achieve a current density of 10 mA cm^(-2) in 1 M KOH,and more importantly it can be practiced in electrolytic water splitting and rechargeable zinc-air batteries devices,achieving ultra-long stability for over 500 and 1200 h,respectively.This work provides a promising route for the construction of high-performance electrocatalysts.
基金supported by the National Key Research and Development Project of China (2022YFD1601102)the Key R&D Plan of Heilongjiang Province, China (JD22B002)+1 种基金the Program on Industrial Technology System of National Soybean, China (CARS-04-PS17)the UNDP Project, China (cpr/21/401) and the National Natural Science Foundation of China (41771284)
文摘Straw mulching is a widespread practice for reducing the soil carbon loss caused by erosion.However,the effects of straw mulching on dissolved organic matter(DOM)runoff loss from black soil are not well studied.How straw mulching affects the composition and loss of runoff DOM by changing soil aggregates remains largely unclear.Here,a straw mulching treatment was compared to a no mulching treatment(as a control)on sloping farmland with black soil erosion in Northeast China.We divided the soil into large macroaggregates(>2 mm),small macroaggregates(0.25-2 mm),and microaggregates(<0.25 mm).After five rain events,the effects of straw mulching on the concentration(characterized by dissolved organic carbon(DoC)and composition(analyzed by fluorescence spectroscopy)of runoff and soil aggregate DOM were studied.The results showed that straw mulching reduced the runoff amount by 54.7%.Therefore,although straw mulching increased the average DOc concentration in runoff,it reduced the total runoff DOM loss by 48.3%.The composition of runoff DOM is similar to that of soil,as both contain humic-like acid and protein-like components.With straw mulching treatment,the protein-like components in small macroaggregates accumulated and the protein-like components in runoff declined with rain events.Fluorescence spectroscopy technology may help in understanding the hydrological paths of rain events by capturing the dynamic changes of runoff and soil DOM characteristics.A variation partitioning analysis(VPA)indicated that the DOM concentration and composition of microaggregates explained 68.2%of the change in runoff DOM from no mulching plots,while the change in runoff DOM from straw mulching plots was dominated by small macroaggregates at a rate of 55.1%.Taken together,our results demonstrated that straw mulching reduces the fragmentation of small macroaggregates and the loss of microaggregates,thus effecting DOM compositions in soil and reducing the DOM loss in runoff.These results provide a theoretical basis for reducing carbon loss in sloping farmland.
基金Project supported by the National Key Research and Development Program of China(Grant No.2022YFB3608601).
文摘The ohmic contact interface between diamond and metal is essential for the application of diamond detectors.Surface modification can significantly affect the contact performance and eliminate the interface polarization effect.However,the radiation stability of a diamond detector is also sensitive to surface modification.In this work,the influence of surface modification technology on a diamond ohmic contact under high-energy radiation was investigated.Before radiation,the specific contact resistivities(ρc)between Ti/Pt/Au-hydrogen-terminated diamond(H-diamond)and Ti/Pt/Au-oxygenterminated diamond(O-diamond)were 2.0×10^(-4)W·cm^(2) and 4.3×10^(-3)Wcm^(2),respectively.After 10 MeV electron radiation,the ρc of Ti/Pt/Au H-diamond and Ti/Pt/Au O-diamond were 5.3×10^(-3)W·cm^(2)and 9.1×10^(-3)W·cm^(2),respectively.The rates of change of ρc of H-diamond and O-diamond after radiation were 2550%and 112%,respectively.The electron radiation promotes bond reconstruction of the diamond surface,resulting in an increase in ρc.