Zinc-ion batteries(ZIBs)are inexpensive and safe,but side reactions on the Zn anode and Zn dendrite growth hinder their practical applications.In this study,1,3,5-triformylphloroglycerol(Tp)and various diamine monomer...Zinc-ion batteries(ZIBs)are inexpensive and safe,but side reactions on the Zn anode and Zn dendrite growth hinder their practical applications.In this study,1,3,5-triformylphloroglycerol(Tp)and various diamine monomers(p-phenylenediamine(Pa),benzidine(BD),and 4,4"-diamino-p-terphenyl(DATP))were used to synthesize a series of two-dimensional covalent-organic frameworks(COFs).The resulting COFs were named TpPa,TpBD,and TpDATP,respectively,and they showed uniform zincophilic sites,different pore sizes,and high Young's moduli on the Zn anode.Among them,TpPa and TpBD showed lower surface work functions and higher ion transfer numbers,which were conducive to uniform galvanizing/stripping zinc and inhibited dendrite growth.Theoretical calculations showed that TpPa and TpBD had wider negative potential region and greater adsorption capacity for Zn2+than TpDATP,providing more electron donor sites to coordinate with Zn^(2+).Symmetric cells protected by TpPa and TpBD stably cycled for more than 2300 h,whereas TpDATP@Zn and the bare zinc symmetric cells failed after around 150 and200 h.The full cells containing TpPa and TpBD modification layers also showed excellent cycling capacity at 1 A/g.This study provides comprehensive insights into the construction of highly reversible Zn anodes via COF modification layers for advanced rechargeable ZIBs.展开更多
The growing global energy demand and worsening climate change highlight the urgent need for clean,efficient and sustainable energy solutions.Among emerging technologies,atomically thin two-dimensional(2D)materials off...The growing global energy demand and worsening climate change highlight the urgent need for clean,efficient and sustainable energy solutions.Among emerging technologies,atomically thin two-dimensional(2D)materials offer unique advantages in photovoltaics due to their tunable optoelectronic properties,high surface area and efficient charge transport capabilities.This review explores recent progress in photovoltaics incorporating 2D materials,focusing on their application as hole and electron transport layers to optimize bandgap alignment,enhance carrier mobility and improve chemical stability.A comprehensive analysis is presented on perovskite solar cells utilizing 2D materials,with a particular focus on strategies to enhance crystallization,passivate defects and improve overall cell efficiency.Additionally,the application of 2D materials in organic solar cells is examined,particularly for reducing recombination losses and enhancing charge extraction through work function modification.Their impact on dye-sensitized solar cells,including catalytic activity and counter electrode performance,is also explored.Finally,the review outlines key challenges,material limitations and performance metrics,offering insight into the future development of nextgeneration photovoltaic devices encouraged by 2D materials.展开更多
To mitigate the massive volume expansion of Si-based anode during the charge/discharge cycles,we synthesized a superstructure of Si@Co±NC composite via the carbonization of zeolite imidazolate frameworks incorpor...To mitigate the massive volume expansion of Si-based anode during the charge/discharge cycles,we synthesized a superstructure of Si@Co±NC composite via the carbonization of zeolite imidazolate frameworks incorporated with Si nanoparticles.The Si@Co±NC is comprised of Sinanoparticle core and N-doped/Co-incorporated carbon shell,and there is void space between the core and the shell.When using as anode material for LIBs,Si@Co±NC displayed a super performance with a charge/discharge capacity of 191.6/191.4 mA h g^(-1)and a coulombic efficiency of 100.1%at 1000 mA g^(-1)after 3000 cycles,and the capacity loss rate is 0.022%per cycle only.The excellent electrochemical property of Si@Co±NC is because its electronic conductivity is enhanced by doping the carbon shell with N atoms and by incorporating with Co particles,and the pathway of lithium ions transmission is shortened by the hollow structure and abundant mesopores in the carbon shell.Also,the volume expansion of Si nanoparticles is well accommodated in the void space and suppressed by the carbon host matrix.This work shows that,through designing a superstructure for the anode materials,we can synergistically reduce the work function and introduce the confinement effect,thus significantly enhancing the anode materials’electrochemical performance in LIBs.展开更多
Supported Ru nanoparticles with high utilization are promising for the hydrogen evolution reaction(HER)but the effect of the crystal phase engineering of supports on their performance remains unclear.Here,the impact o...Supported Ru nanoparticles with high utilization are promising for the hydrogen evolution reaction(HER)but the effect of the crystal phase engineering of supports on their performance remains unclear.Here,the impact of the crystal phase of the support on the catalytic activity of Ru was probed by anchoring Ru nanoparticles onto precisely synthesized hexagonal(WO_(3)-H),orthorhombic(WO_(3)-O),and monoclinic(WO_(3)-M)supports followed by thorough evaluation for HER.Among them,WO_(3)-H demonstrated superior performance by providing enhanced Ru anchoring and uniform dispersion,maximizing active site availability.A critical finding is the small work function difference(ΔW_(F))between Ru and WO_(3)-H,which minimizes interfacial charge accumulation and facilitates efficient hydrogen spillover,thereby accelerating HER kinetics.In contrast,WO_(3)-O and WO_(3)-M exhibited largerΔW_(F)and less effective Ru dispersion,resulting in a larger hydrogen spillover barrier and suboptimal hydrogen adsorption/desorption dynamics.As a result,Ru/WO_(3)-H exhibited the best performance,achieving an overpotential of 43.8 mV at 10 mA cm^(-2)and a Tafel slope of 49.1 mV dec^(-1).This work highlights the critical role of the crystal phase in optimizing the intrinsic catalytic activity of catalysts,offering new insights for designing efficient HER catalysts.展开更多
Electrides,characterized by spatially confined anionic electrons,have emerged as a promising class of materials for catalysis,magnetism,and superconductivity.However,transition-metal-based electrides with diverse elec...Electrides,characterized by spatially confined anionic electrons,have emerged as a promising class of materials for catalysis,magnetism,and superconductivity.However,transition-metal-based electrides with diverse electron dimensionalities remain largely unexplored.Here,we perform a comprehensive first-principles investigation of Y-Co electrides,focusing on Y_(3)Co,Y_(3)Co_(2),and YCo.Our calculations reveal a striking dimensional evolution of anionic electrons:from two-dimensional(2D)confinement in YCo to one-dimensional(1D)in Y_(3)Co_(2)and zero-dimensional(0D)in Y_(3)Co.Remarkably,the YCo monolayer exhibits intrinsic ferromagnetism,with a magnetic moment of 0.65μB per formula unit arising from spin-polarized anionic electrons mediating long-range coupling between Y and Co ions.The monolayer also shows a low exfoliation energy(1.66 J/m^(2)),indicating experimental feasibility.All three electrides exhibit low work functions(2.76 eV-3.11 eV)along with Co-centered anionic states.This work expands the family of transition-metal-based electrides and highlights dimensionality engineering as a powerful strategy for tuning electronic and magnetic properties.展开更多
Annealing treatment is an effective strategy to enhance the comprehensive properties of Mg-8Li-3Al-2Zn(LAZ832)alloy,where the cooling rate plays a decisive role in tailoring microstructure and performance.This study s...Annealing treatment is an effective strategy to enhance the comprehensive properties of Mg-8Li-3Al-2Zn(LAZ832)alloy,where the cooling rate plays a decisive role in tailoring microstructure and performance.This study systematically investigates the effects of cooling rates,controlled via water quenching(WC),air cooling(AC),and furnace cooling(FC),on the phase evolution,mechanical properties,and corrosion resistance of LAZ832.The annealed microstructure consists ofα-Mg,β-Li,AlLi,and MgLi_(2)Al phases,and the volume fraction of Al-Li phases(AlLi and MgLi_(2)Al)increases as the cooling rate decreases.Strengthening mechanisms are dominated by solid solution strengthening,driven by the dissolution of Al and Zn atoms into the matrix,which significantly enhances tensile strength.However,excessive solute content leads to a marked decline in ductility.Scanning probe microscope(SPM)reveals an elevated work function due to the dissolution of Al and Zn atoms into the matrix phase,correlating with improved corrosion resistance.Comprehensive analysis demonstrates that air cooling achieves an optimal balance between tensile strength,ductility,and corrosion resistance,outperforming furnace-cooled samples and offering a pragmatic compromise compared to water-quenched specimens with higher strength but brittle failure.These findings establish a robust framework for designing LAZ832 alloys with tailored microstructures and multi-property optimization,advancing their application in lightweight engineering fields.展开更多
The injection of electrical charge from an electrode into organic semiconductors directly influences the performance of organic optoelectronic devices.However,our understanding of the mechanisms behind charge injectio...The injection of electrical charge from an electrode into organic semiconductors directly influences the performance of organic optoelectronic devices.However,our understanding of the mechanisms behind charge injection remains incomplete.In this study,we explored the hole injection from an indium tin oxide(ITO)electrode into a hole transport layer(HTL)by employing various organic interlayers(ILs)with different ionization potentials(IPs).It was demonstrated that using O_(2)plasma treatment onto an ITO surface and incorporating an interlayer(IL)with a higher IP between the ITO electrode and the HTL can substantially increase the hole current density.This improvement leads to the achievement of barrier-free injection and the establishment of space-charge-limited current.We propose two synergistic mechanisms of spatial electron tunneling that govern the injection characteristics:electron tunneling from the HTL across the IL to the electrode that establishes an electrostatic equilibrium with a zero-injection barrier and an electric-field-induced spatial tunneling effect that occurs during device operation with applying bias.This research offers a strategy to achieve spacecharge-limited hole current and provides an explanatory framework for understanding the underlying physics of charge injection.展开更多
The corrosion resistance of cobalt-based alloy cladding layers is crucial for the long-term reliability of materials in the nuclear power industry,where they are exposed to highly aggressive environmental conditions.A...The corrosion resistance of cobalt-based alloy cladding layers is crucial for the long-term reliability of materials in the nuclear power industry,where they are exposed to highly aggressive environmental conditions.A major challenge to their performance is the corrosion occurring at phase boundaries under harsh operating conditions.This study investigates the effects of pulsed magnetic field treatment(PMT)on improving corrosion resistance at phase boundaries,specifically at the carbide/matrix Co interface,and seeks to clarify the underlying mechanisms.Advanced characterization techniques,including scanning electron microscopy(SEM),in situ transmission electron microscopy(TEM),in situ scanning kelvin probe force microscopy(SKPFM),and density functional theory(DFT)calculations,were employed.PMT samples exhibited no interface corrosion cracking or carbide spalling and showed a significant reduction in corrosion depth.TEM analysis revealed reduced lattice distortion at phase boundaries and a partial transformation of face-centered cubic(FCC)Co to hexagonal closepacked(HCP)Co.The enhanced corrosion resistance at phase boundaries is attributed to changes in the electronic work function(EWF),as determined by SKPFM measurements and DFT calculations.展开更多
Bifunctional Ir catalysts for proton exchange membrane(PEM)water electrolysis offer transformative potential by streamlining electrolyzer while achieving efficient performance remains challenging due to the distinct c...Bifunctional Ir catalysts for proton exchange membrane(PEM)water electrolysis offer transformative potential by streamlining electrolyzer while achieving efficient performance remains challenging due to the distinct conditions required for oxygen and hydrogen evolution reaction(OER and HER).Herein,we propose a theory-directed design of Ir-based bifunctional catalysts,Ir nanoparticles supported on mesoporous carbon spheres embedded with MoSe_(2)(Ir/MoSe_(2)@MCS),leveraging a work function(WF)-induced spontaneous built-in electric field to enhance catalytic performance.They demonstrate exceptional kinetics for both OER and HER,and potential application in the practical PEM electrolyzer,showcasing the effectiveness of this innovative approach.Low overpotentials of 252 mV for OER and 28 mV for HER to drive 10 mA cm^(-2)were observed,and the PEM electrolyzer showed the current density of 2 A cm^(-2)at 1.87 V and maintained stable activity at 1.65 V for over 30 h to deliver 1 A cm^(-2).Density functional theory calculations reveal that the WF difference at Ir/MoSe_(2)interface induces a spontaneous built-in electric field with asymmetric charge distributions,that modulate the electronic environment and d-band center of Ir promoting bifunctional active phase formation.This significantly lowers reaction barriers for water splitting by balancing intermediate adsorption,endowing the bifunctional activity.展开更多
The development of next-generation electromagnetic wave(EMW)absorbers requires a shift in interface design.By employing hierarchical work function programming,we propose an approach to tune interfacial polarization dy...The development of next-generation electromagnetic wave(EMW)absorbers requires a shift in interface design.By employing hierarchical work function programming,we propose an approach to tune interfacial polarization dynamics.This method utilizes multi-gradient work functions to guide carrier migration and polarization effectively,thereby enhancing energy dissipation under alternating electromagnetic fields.Here,we constructed a 1T/2H-MoS_(2)/PPy/VS_(2) composite absorber with integrated gradient interfaces.The composite achieved a powerful absorption(RLmin)of-58.59 dB at 2.3 mm,and an effective absorption bandwidth(EAB)of 7.44 GHz at 2.5 mm,demonstrating improved broadband absorption.Radar cross-section(RCS)simulations show an EMW loss of-7.2 dB m^(2) at 0°,highlighting its potential for stealth and communication applications.This study introduces hierarchical work function programming as a promising strategy in EMW absorber design,contributing to advancements in material performance and functionality.展开更多
CoCrFeNi high entropy alloy(HEA)has attracted extensive attention due to its excellent corrosion resistance,but the low strength limits its engineering application prospects.In order to develop CoCrFeNi based HEAs wit...CoCrFeNi high entropy alloy(HEA)has attracted extensive attention due to its excellent corrosion resistance,but the low strength limits its engineering application prospects.In order to develop CoCrFeNi based HEAs with high strength,ductility and corrosion resistance,the effects of Zr content on the microstructure,mechanical properties and corrosion resistance of heterogeneous CoCrFeNiZr_(x)(x=0,0.25,0.5 and 1)HEAs were investigated in this work.The results indicate that the increase of Zr content can significantly affect the phase stability of the alloy,and promote the formation of intermetallic compounds(Ni_(7)Zr_(2)and/or Laves phase)and the transformation of solid solution from face-centered cubic(FCC)structure(x=0,0.25 and 0.5)to body-centered cubic(BCC)structure(x=1).Reasonable control of the Zr content can endow the alloy excellent comprehensive properties.Especially,for CoCrFeNiZr_(0.25) alloy,composed of FCC matrix and a small amount of Ni_(7)Zr_(2)phases,the yield strength(~655 MPa)is increased by nearly four times higher than that of Zr-free alloy,and it also has good ductility(fracture stain>50%).Meanwhile,the corrosion resistance of CoCrFeNiZr_(0.25) alloy is better than that of SS304.The EIS results show that the addition of Zr reduces the stability of the passive film on the alloy,which can be related to the content of the beneficial oxide in the passive film and the thickness of the passive film through XPS analysis.Moreover,the work functions of different phases in CoCrFeNiZr_(x)alloys were obtained by firstprinciples calculations,which further confirmed the selective corrosion mechanism of the CoCrFeNiZr_(x) alloy combining the experimental results.展开更多
As a fundamental surface property of two-dimensional(2 D)materials,surface potential is critical for their emerging electronic applications and essential for van der Waals heterostructure engineering.Here,we report th...As a fundamental surface property of two-dimensional(2 D)materials,surface potential is critical for their emerging electronic applications and essential for van der Waals heterostructure engineering.Here,we report the surface potential of few-layer InSe.The effect of layer count,light intensity and different deposited substrates is considered.Few-layer InSe flakes were exfoliated from bulk InSe crystals on Si/SiO_(2)with 300-nm-thick thermal oxide and Si/SiO_(2)with 300-nm-thick thermal oxide and prefabricated micro-wells with 3μm in diameter.The samples were measured by Kelvin probe force microscopy and tuned by an integrated 405-nm(3.06 eV)laser.Based on the work function of SiO_(2)(5.00 eV),the work functions of supported and suspended InSe are determined.These results show that the work function of InSe decreases with the increase in the layer count of both supported InSe and suspended InSe.Besides,by introducing a tunable laser light,the influence of light intensity on surface potential of supported InSe was studied.The surface potential(SP)and surface potential shift between light and dark states(ASP=SP_(lignt)-SP_(dark))of supported InSe were measured and determined.These results present that the surface potential of supported InSe decreases with the increase in the light intensity and also decreases with the increase in the layer count.This is evident that light excites electrons,resulting in decreased surface potential,and the amount of electrons excited is correlated with light intensity.Meanwhile,⊿SP between light and dark states decreases with the increase in the layer count,which suggests that the influence of light illumination decreases with the increase in the layer count of few-layer InSe flakes.展开更多
Semiconductors are a major category of functional materials essential to various applications to sustain the modern society.Most applied materials or devices utilizing semiconductors are enabled by interfaces or junct...Semiconductors are a major category of functional materials essential to various applications to sustain the modern society.Most applied materials or devices utilizing semiconductors are enabled by interfaces or junctions,such as solar cells,electronic/photonic devices,environmental sensors,and redox hetero-catalysts.Herein,the author provides a critical commentary on photoemission measurement of the work function and,more importantly,the electron affinity of semiconductors essential for energy band diagram of heterojunctions.Particular effort is made towards addressing complications associated with Fermi level pinning due to surficial states of doped semiconductors.展开更多
Since colossal ionic conductivity was detected in the planar heterostructures consisting of fluorite and perovskite,heterostructures have drawn great research interest as potential electrolytes for solid oxide fuel ce...Since colossal ionic conductivity was detected in the planar heterostructures consisting of fluorite and perovskite,heterostructures have drawn great research interest as potential electrolytes for solid oxide fuel cells(SOFCs).However,so far,the practical uses of such promising material have failed to materialize in SOFCs due to the short circuit risk caused by SrTiO3.In this study,a series of fluorite/perovskite heterostructures made of Sm-doped CeO2 and SrTiO3(SDC–STO)are developed in a new bulk-heterostructure form and evaluated as electrolytes.The prepared cells exhibit a peak power density of 892 mW cm−2 along with open circuit voltage of 1.1 V at 550°C for the optimal composition of 4SDC–6STO.Further electrical studies reveal a high ionic conductivity of 0.05–0.14 S cm^−1 at 450–550°C,which shows remarkable enhancement compared to that of simplex SDC.Via AC impedance analysis,it has been shown that the small grain-boundary and electrode polarization resistances play the major roles in resulting in the superior performance.Furthermore,a Schottky junction effect is proposed by considering the work functions and electronic affinities to interpret the avoidance of short circuit in the SDC–STO cell.Our findings thus indicate a new insight to design electrolytes for low-temperature SOFCs.展开更多
The engineering of the electronic configurations of active sites,together with the production of more accessible active sites through heterostructure design,has been established as a forceful methodology for boosting ...The engineering of the electronic configurations of active sites,together with the production of more accessible active sites through heterostructure design,has been established as a forceful methodology for boosting water electrolysis performance.Herein,a facile approach is developed to fabricate well-dispersed MoO_(2) and WO_(2) nanoparticles with abundant heterointerfaces entrapped in N,P-doped carbon nanofibers(referred to as MoO_(2)/WO_(2)@N,P-CNFs hereafter)as hydrogen evolution reaction(HER)electrocatalysts in alkaline and acidic electrolytes.Extensive spectroscopic analyses and theoretical findings manifest that the heterointerface formed by the work function modulation of MoO_(2)/WO_(2) triggers the spontaneous electron redistribution from MoO_(2)to WO_(2) and a built-in electric field,which is essential to promote water adsorption,optimize the H-intermediate adsorption energy,result in the enhanced charge transfer efficiency,and ultimately increase the intrinsic HER activity.Simultaneously,the intimate confinement of MoO_(2)/WO_(2) heterostructures in the porous carbon substrate can restrain the active sites from unfavorable coarsening and detachment,thus ensuring facilitated HER kinetics and outstanding structural robustness.As a result,MoO_(2)/WO_(2)@N,P-CNFs exhibit superior catalytic HER performance in acidic and basic solutions,requiring 118 and 95 mV overpotentials to achieve 10 mA·cm^(−2),respectively,surpassing a number of reported non-noble metal-based electrocatalysts.This work provides guidelines for the rational design and construction of special metallic heterocomponents with optimized interfacial electronic structure for various electrochemical technologies.展开更多
High density lanthanum hexaboride(LaB_(6))polycrystalline with(100)preferred orientation was prepared by spark plasma sintering(SPS)using LaB_(6) nanocubes as raw materials in this work.Microstructure and thermionic e...High density lanthanum hexaboride(LaB_(6))polycrystalline with(100)preferred orientation was prepared by spark plasma sintering(SPS)using LaB_(6) nanocubes as raw materials in this work.Microstructure and thermionic electron emission property of LaB_(6) polycrystalline were investigated detailedly.The results show that the LaB_(6) polycrystalline had a relative density of 95.8%,and there was a(100)preferred orientation on its surface normal to SPS pressing direction.The work function of LaB_(6) polycrystalline normal surface was only 2.73 eV,which was almost close to the theoretical work function of LaB_(6)(100)single crystal surface.The reasons for preferential orientation of LaB_(6) polycrystalline were analyzed.展开更多
Promoting interfacial reaction kinetics is highly desirable for achieving high-performances of anode material in alkali-ion batteries.Herein,flower-like MoSe_(2)/MoO_(3-x)@r GO composites are fabricated by a facile so...Promoting interfacial reaction kinetics is highly desirable for achieving high-performances of anode material in alkali-ion batteries.Herein,flower-like MoSe_(2)/MoO_(3-x)@r GO composites are fabricated by a facile solvothermal method involving a thermal-treatment at 800°C.When evaluated as an anode material for potassium ion batteries,MoSe_(2)/MoO_(3-x)@r GO delivers 248.2 m A h g^(-1)after 50 cycles at 0.2 A g^(-1) with a capacity retention of 84.6%and 182.9 m A h g^(-1)after 150 cycles at 1.0 A g^(-1) with a capacity retention of almost 61.2%,superior to those of bare MoSe_(2)or MoSe_(2)@r GO composites.Analysis from electrochemical measurements,the amorphous MoO_(3-x)containing oxygen vacancies could not only effectively buffer the self-aggregation of MoSe_(2)nanosheets but also provides lots of accessible active sites for potassium ion storage.Additionally,the open channels in the amorphous MoO_(3-x) phase lead to easier ion hopping and smaller diffusion barriers.Furthermore,the built-in electric field at the interface would be beneficial for electron transfer and K-ion migration across the hetero-junction interface.Moreover,larger dielectric polarization induced by the high relative permittivity of amorphous MoO_(3-x) would reduce charge transfer resistance and enhance K-ion migration across electric double-layer.Our work provides new insight into the enhanced performance of anode material coated by an amorphous layer with large relative permittivity.展开更多
The magnetism and work function of pure Ni(001) and Ni-Cu slab alloys were investigated using first-principles methods based on density functional theory. The calculated results reveal that both magnetic moments and w...The magnetism and work function of pure Ni(001) and Ni-Cu slab alloys were investigated using first-principles methods based on density functional theory. The calculated results reveal that both magnetic moments and work functions of the alloys depend strongly on the surface orientation, but hardly on the distribution of doped Cu atoms for a given surface orientation. It is found that the doped Cu atoms have evident influence on the magnetic moment of Ni-Cu slabs, and the average magnetic moment of Ni atoms for Ni-Cu alloys decreases with increasing concentration of Cu atoms. Moreover, it is observed that the work function of Ni(001) is insensitive to the supercell thickness and the inner concentration of Cu atoms. In the meantime, the spin polarization is found to have an obvious role on the work function of the Ni-Cu alloys, which may give a new way to modulate the work function of the metal gate.展开更多
The dependences of Fermi-level pinning on interface state densities for the metal-dielectric, ploycrystalline silicon-dielectric, and metal silicide-dielectric interfaces are investigated by calculating their effectiv...The dependences of Fermi-level pinning on interface state densities for the metal-dielectric, ploycrystalline silicon-dielectric, and metal silicide-dielectric interfaces are investigated by calculating their effective work functions and their pinning factors. The Fermi-level pinning factors and effective work functions of the metal-dielectric interface are observed to be more susceptible to the increasing interface state densities, differing significantly from that of the ploycrystalline silicon-dielectric interface and the metal silicide-dielectric interface. The calculation results indicate that metal silicide gates with high-temperature resistance and low resistivity are a more promising choice for the design of gate materials in metal-oxide semiconductor（MOS） technology.展开更多
The initial micro-galvanic corrosion behavior of Mg-30wt%Ca alloy only containing Mg_(2)Ca andα-Mg was studied by immersion testing in a 0.9%Na Cl solution at 37°C.The quasi-in situ SEM and TEM results show that...The initial micro-galvanic corrosion behavior of Mg-30wt%Ca alloy only containing Mg_(2)Ca andα-Mg was studied by immersion testing in a 0.9%Na Cl solution at 37°C.The quasi-in situ SEM and TEM results show that Mg_(2)Ca corroded easier thanα-Mg,indicating that Mg_(2)Ca acted as an anode.The work function(Φ)for Mg_(2)Ca calculated by first-principles is significantly lower compared to that forα-Mg.The Volta potential measured by a scanning Kelvin probe force microscope reveals that the Mg_(2)Ca had a relatively low Volta potential(ψ)value.The lowerΦandψvalues for Mg_(2)Ca indicate a lower electrochemical nobility,which is consistent with the experimental phenomenon.展开更多
基金financially supported by the National Natural Science Foundation of China(62464010)Spring City Plan-Special Program for Young Talents(K202005007)+3 种基金Yunnan Talents Support Plan for Yong Talents(XDYC-QNRC-2022-0482)Yunnan Local Colleges Applied Basic Research Projects(202101BA070001-138)Key Laboratory of Artificial Microstructures in Yunnan Higher EducationFrontier Research Team of Kunming University 2023。
文摘Zinc-ion batteries(ZIBs)are inexpensive and safe,but side reactions on the Zn anode and Zn dendrite growth hinder their practical applications.In this study,1,3,5-triformylphloroglycerol(Tp)and various diamine monomers(p-phenylenediamine(Pa),benzidine(BD),and 4,4"-diamino-p-terphenyl(DATP))were used to synthesize a series of two-dimensional covalent-organic frameworks(COFs).The resulting COFs were named TpPa,TpBD,and TpDATP,respectively,and they showed uniform zincophilic sites,different pore sizes,and high Young's moduli on the Zn anode.Among them,TpPa and TpBD showed lower surface work functions and higher ion transfer numbers,which were conducive to uniform galvanizing/stripping zinc and inhibited dendrite growth.Theoretical calculations showed that TpPa and TpBD had wider negative potential region and greater adsorption capacity for Zn2+than TpDATP,providing more electron donor sites to coordinate with Zn^(2+).Symmetric cells protected by TpPa and TpBD stably cycled for more than 2300 h,whereas TpDATP@Zn and the bare zinc symmetric cells failed after around 150 and200 h.The full cells containing TpPa and TpBD modification layers also showed excellent cycling capacity at 1 A/g.This study provides comprehensive insights into the construction of highly reversible Zn anodes via COF modification layers for advanced rechargeable ZIBs.
基金supported by the IITP(Institute of Information & Communications Technology Planning & Evaluation)-ITRC(Information Technology Research Center) grant funded by the Korea government(Ministry of Science and ICT) (IITP-2025-RS-2024-00437191, and RS-2025-02303505)partly supported by the Korea Basic Science Institute (National Research Facilities and Equipment Center) grant funded by the Ministry of Education. (No. 2022R1A6C101A774)the Deanship of Research and Graduate Studies at King Khalid University, Saudi Arabia, through Large Research Project under grant number RGP-2/527/46
文摘The growing global energy demand and worsening climate change highlight the urgent need for clean,efficient and sustainable energy solutions.Among emerging technologies,atomically thin two-dimensional(2D)materials offer unique advantages in photovoltaics due to their tunable optoelectronic properties,high surface area and efficient charge transport capabilities.This review explores recent progress in photovoltaics incorporating 2D materials,focusing on their application as hole and electron transport layers to optimize bandgap alignment,enhance carrier mobility and improve chemical stability.A comprehensive analysis is presented on perovskite solar cells utilizing 2D materials,with a particular focus on strategies to enhance crystallization,passivate defects and improve overall cell efficiency.Additionally,the application of 2D materials in organic solar cells is examined,particularly for reducing recombination losses and enhancing charge extraction through work function modification.Their impact on dye-sensitized solar cells,including catalytic activity and counter electrode performance,is also explored.Finally,the review outlines key challenges,material limitations and performance metrics,offering insight into the future development of nextgeneration photovoltaic devices encouraged by 2D materials.
基金financial supports by the National Natural Science Foundation of China(No.51772295)support of GTIIT for the collaboration,and the start-up fund provided by GTIIT
文摘To mitigate the massive volume expansion of Si-based anode during the charge/discharge cycles,we synthesized a superstructure of Si@Co±NC composite via the carbonization of zeolite imidazolate frameworks incorporated with Si nanoparticles.The Si@Co±NC is comprised of Sinanoparticle core and N-doped/Co-incorporated carbon shell,and there is void space between the core and the shell.When using as anode material for LIBs,Si@Co±NC displayed a super performance with a charge/discharge capacity of 191.6/191.4 mA h g^(-1)and a coulombic efficiency of 100.1%at 1000 mA g^(-1)after 3000 cycles,and the capacity loss rate is 0.022%per cycle only.The excellent electrochemical property of Si@Co±NC is because its electronic conductivity is enhanced by doping the carbon shell with N atoms and by incorporating with Co particles,and the pathway of lithium ions transmission is shortened by the hollow structure and abundant mesopores in the carbon shell.Also,the volume expansion of Si nanoparticles is well accommodated in the void space and suppressed by the carbon host matrix.This work shows that,through designing a superstructure for the anode materials,we can synergistically reduce the work function and introduce the confinement effect,thus significantly enhancing the anode materials’electrochemical performance in LIBs.
基金financial support from the National Natural Science Foundation of China(22272148)。
文摘Supported Ru nanoparticles with high utilization are promising for the hydrogen evolution reaction(HER)but the effect of the crystal phase engineering of supports on their performance remains unclear.Here,the impact of the crystal phase of the support on the catalytic activity of Ru was probed by anchoring Ru nanoparticles onto precisely synthesized hexagonal(WO_(3)-H),orthorhombic(WO_(3)-O),and monoclinic(WO_(3)-M)supports followed by thorough evaluation for HER.Among them,WO_(3)-H demonstrated superior performance by providing enhanced Ru anchoring and uniform dispersion,maximizing active site availability.A critical finding is the small work function difference(ΔW_(F))between Ru and WO_(3)-H,which minimizes interfacial charge accumulation and facilitates efficient hydrogen spillover,thereby accelerating HER kinetics.In contrast,WO_(3)-O and WO_(3)-M exhibited largerΔW_(F)and less effective Ru dispersion,resulting in a larger hydrogen spillover barrier and suboptimal hydrogen adsorption/desorption dynamics.As a result,Ru/WO_(3)-H exhibited the best performance,achieving an overpotential of 43.8 mV at 10 mA cm^(-2)and a Tafel slope of 49.1 mV dec^(-1).This work highlights the critical role of the crystal phase in optimizing the intrinsic catalytic activity of catalysts,offering new insights for designing efficient HER catalysts.
基金funding support from the National Science Fund for Distinguished Young Scholars(Grant No.T2225027)the National Natural Science Foundation of China(Grant Nos.12074013 and 12204419)the China Postdoctoral Science Foundation(Grant No.2021M702956)。
文摘Electrides,characterized by spatially confined anionic electrons,have emerged as a promising class of materials for catalysis,magnetism,and superconductivity.However,transition-metal-based electrides with diverse electron dimensionalities remain largely unexplored.Here,we perform a comprehensive first-principles investigation of Y-Co electrides,focusing on Y_(3)Co,Y_(3)Co_(2),and YCo.Our calculations reveal a striking dimensional evolution of anionic electrons:from two-dimensional(2D)confinement in YCo to one-dimensional(1D)in Y_(3)Co_(2)and zero-dimensional(0D)in Y_(3)Co.Remarkably,the YCo monolayer exhibits intrinsic ferromagnetism,with a magnetic moment of 0.65μB per formula unit arising from spin-polarized anionic electrons mediating long-range coupling between Y and Co ions.The monolayer also shows a low exfoliation energy(1.66 J/m^(2)),indicating experimental feasibility.All three electrides exhibit low work functions(2.76 eV-3.11 eV)along with Co-centered anionic states.This work expands the family of transition-metal-based electrides and highlights dimensionality engineering as a powerful strategy for tuning electronic and magnetic properties.
基金the financial support of the Scientific Research Starting Foundation of Anhui Polytechnic University of China(Grant No.2200YQQ049)the Excellent Scientific Research and Innovation Teams of Anhui Province,China(Grant No.2022AH010059).
文摘Annealing treatment is an effective strategy to enhance the comprehensive properties of Mg-8Li-3Al-2Zn(LAZ832)alloy,where the cooling rate plays a decisive role in tailoring microstructure and performance.This study systematically investigates the effects of cooling rates,controlled via water quenching(WC),air cooling(AC),and furnace cooling(FC),on the phase evolution,mechanical properties,and corrosion resistance of LAZ832.The annealed microstructure consists ofα-Mg,β-Li,AlLi,and MgLi_(2)Al phases,and the volume fraction of Al-Li phases(AlLi and MgLi_(2)Al)increases as the cooling rate decreases.Strengthening mechanisms are dominated by solid solution strengthening,driven by the dissolution of Al and Zn atoms into the matrix,which significantly enhances tensile strength.However,excessive solute content leads to a marked decline in ductility.Scanning probe microscope(SPM)reveals an elevated work function due to the dissolution of Al and Zn atoms into the matrix phase,correlating with improved corrosion resistance.Comprehensive analysis demonstrates that air cooling achieves an optimal balance between tensile strength,ductility,and corrosion resistance,outperforming furnace-cooled samples and offering a pragmatic compromise compared to water-quenched specimens with higher strength but brittle failure.These findings establish a robust framework for designing LAZ832 alloys with tailored microstructures and multi-property optimization,advancing their application in lightweight engineering fields.
基金Project supported by the National Key Research and Development Program of China(Grant No.2020YFB0408000)Guangdong Provincial Department of Science and Technology(Grant No.2019TQ05C778)Guangdong Basic and Applied Basic Research Foundation(Grant No.2019A1515011639)。
文摘The injection of electrical charge from an electrode into organic semiconductors directly influences the performance of organic optoelectronic devices.However,our understanding of the mechanisms behind charge injection remains incomplete.In this study,we explored the hole injection from an indium tin oxide(ITO)electrode into a hole transport layer(HTL)by employing various organic interlayers(ILs)with different ionization potentials(IPs).It was demonstrated that using O_(2)plasma treatment onto an ITO surface and incorporating an interlayer(IL)with a higher IP between the ITO electrode and the HTL can substantially increase the hole current density.This improvement leads to the achievement of barrier-free injection and the establishment of space-charge-limited current.We propose two synergistic mechanisms of spatial electron tunneling that govern the injection characteristics:electron tunneling from the HTL across the IL to the electrode that establishes an electrostatic equilibrium with a zero-injection barrier and an electric-field-induced spatial tunneling effect that occurs during device operation with applying bias.This research offers a strategy to achieve spacecharge-limited hole current and provides an explanatory framework for understanding the underlying physics of charge injection.
基金financially supported by the National Key Research and Development Program of China(No.2020YFA0714900)the Joint Fund of the Ministry of Education(No.8091B012201)
文摘The corrosion resistance of cobalt-based alloy cladding layers is crucial for the long-term reliability of materials in the nuclear power industry,where they are exposed to highly aggressive environmental conditions.A major challenge to their performance is the corrosion occurring at phase boundaries under harsh operating conditions.This study investigates the effects of pulsed magnetic field treatment(PMT)on improving corrosion resistance at phase boundaries,specifically at the carbide/matrix Co interface,and seeks to clarify the underlying mechanisms.Advanced characterization techniques,including scanning electron microscopy(SEM),in situ transmission electron microscopy(TEM),in situ scanning kelvin probe force microscopy(SKPFM),and density functional theory(DFT)calculations,were employed.PMT samples exhibited no interface corrosion cracking or carbide spalling and showed a significant reduction in corrosion depth.TEM analysis revealed reduced lattice distortion at phase boundaries and a partial transformation of face-centered cubic(FCC)Co to hexagonal closepacked(HCP)Co.The enhanced corrosion resistance at phase boundaries is attributed to changes in the electronic work function(EWF),as determined by SKPFM measurements and DFT calculations.
文摘Bifunctional Ir catalysts for proton exchange membrane(PEM)water electrolysis offer transformative potential by streamlining electrolyzer while achieving efficient performance remains challenging due to the distinct conditions required for oxygen and hydrogen evolution reaction(OER and HER).Herein,we propose a theory-directed design of Ir-based bifunctional catalysts,Ir nanoparticles supported on mesoporous carbon spheres embedded with MoSe_(2)(Ir/MoSe_(2)@MCS),leveraging a work function(WF)-induced spontaneous built-in electric field to enhance catalytic performance.They demonstrate exceptional kinetics for both OER and HER,and potential application in the practical PEM electrolyzer,showcasing the effectiveness of this innovative approach.Low overpotentials of 252 mV for OER and 28 mV for HER to drive 10 mA cm^(-2)were observed,and the PEM electrolyzer showed the current density of 2 A cm^(-2)at 1.87 V and maintained stable activity at 1.65 V for over 30 h to deliver 1 A cm^(-2).Density functional theory calculations reveal that the WF difference at Ir/MoSe_(2)interface induces a spontaneous built-in electric field with asymmetric charge distributions,that modulate the electronic environment and d-band center of Ir promoting bifunctional active phase formation.This significantly lowers reaction barriers for water splitting by balancing intermediate adsorption,endowing the bifunctional activity.
基金supported by the National Natural Science Foundation of China(Nos.22275156,52025132,21,621,091,52300138,22021001 and 22121001)the Fundamental Research Funds for the Central Universities of China(No.20720220019)+2 种基金the National Science Foundation of Fujian Province of China(No.2022J02059)the 111 Project(Nos.B17027,B16029)the New Cornerstone Science Foundation through the XPLORER PRIZE。
文摘The development of next-generation electromagnetic wave(EMW)absorbers requires a shift in interface design.By employing hierarchical work function programming,we propose an approach to tune interfacial polarization dynamics.This method utilizes multi-gradient work functions to guide carrier migration and polarization effectively,thereby enhancing energy dissipation under alternating electromagnetic fields.Here,we constructed a 1T/2H-MoS_(2)/PPy/VS_(2) composite absorber with integrated gradient interfaces.The composite achieved a powerful absorption(RLmin)of-58.59 dB at 2.3 mm,and an effective absorption bandwidth(EAB)of 7.44 GHz at 2.5 mm,demonstrating improved broadband absorption.Radar cross-section(RCS)simulations show an EMW loss of-7.2 dB m^(2) at 0°,highlighting its potential for stealth and communication applications.This study introduces hierarchical work function programming as a promising strategy in EMW absorber design,contributing to advancements in material performance and functionality.
基金supported by the National Key R&D Program of China(Grant No.2020YFA0405700)the Inner Mongolia Science and Technology Major Project(No.2020ZD0011)。
文摘CoCrFeNi high entropy alloy(HEA)has attracted extensive attention due to its excellent corrosion resistance,but the low strength limits its engineering application prospects.In order to develop CoCrFeNi based HEAs with high strength,ductility and corrosion resistance,the effects of Zr content on the microstructure,mechanical properties and corrosion resistance of heterogeneous CoCrFeNiZr_(x)(x=0,0.25,0.5 and 1)HEAs were investigated in this work.The results indicate that the increase of Zr content can significantly affect the phase stability of the alloy,and promote the formation of intermetallic compounds(Ni_(7)Zr_(2)and/or Laves phase)and the transformation of solid solution from face-centered cubic(FCC)structure(x=0,0.25 and 0.5)to body-centered cubic(BCC)structure(x=1).Reasonable control of the Zr content can endow the alloy excellent comprehensive properties.Especially,for CoCrFeNiZr_(0.25) alloy,composed of FCC matrix and a small amount of Ni_(7)Zr_(2)phases,the yield strength(~655 MPa)is increased by nearly four times higher than that of Zr-free alloy,and it also has good ductility(fracture stain>50%).Meanwhile,the corrosion resistance of CoCrFeNiZr_(0.25) alloy is better than that of SS304.The EIS results show that the addition of Zr reduces the stability of the passive film on the alloy,which can be related to the content of the beneficial oxide in the passive film and the thickness of the passive film through XPS analysis.Moreover,the work functions of different phases in CoCrFeNiZr_(x)alloys were obtained by firstprinciples calculations,which further confirmed the selective corrosion mechanism of the CoCrFeNiZr_(x) alloy combining the experimental results.
基金the Key-Area Research and Development Program of Guangdong Province(No.2018B010109009)the Shenzhen Science and Technology Innovation Committee(Nos.JCYJ20170818155752559 and JCYJ20170818160815002)+3 种基金the Instrument Developing Project of Chinese Academy of Sciences(No.ZDKYYQ20180004)the National Natural Science Foundation of China(No.11872203)the National Natural Science Foundation of China for Creative Research Groups(No.51921003)support of the China Scholarship Council。
文摘As a fundamental surface property of two-dimensional(2 D)materials,surface potential is critical for their emerging electronic applications and essential for van der Waals heterostructure engineering.Here,we report the surface potential of few-layer InSe.The effect of layer count,light intensity and different deposited substrates is considered.Few-layer InSe flakes were exfoliated from bulk InSe crystals on Si/SiO_(2)with 300-nm-thick thermal oxide and Si/SiO_(2)with 300-nm-thick thermal oxide and prefabricated micro-wells with 3μm in diameter.The samples were measured by Kelvin probe force microscopy and tuned by an integrated 405-nm(3.06 eV)laser.Based on the work function of SiO_(2)(5.00 eV),the work functions of supported and suspended InSe are determined.These results show that the work function of InSe decreases with the increase in the layer count of both supported InSe and suspended InSe.Besides,by introducing a tunable laser light,the influence of light intensity on surface potential of supported InSe was studied.The surface potential(SP)and surface potential shift between light and dark states(ASP=SP_(lignt)-SP_(dark))of supported InSe were measured and determined.These results present that the surface potential of supported InSe decreases with the increase in the light intensity and also decreases with the increase in the layer count.This is evident that light excites electrons,resulting in decreased surface potential,and the amount of electrons excited is correlated with light intensity.Meanwhile,⊿SP between light and dark states decreases with the increase in the layer count,which suggests that the influence of light illumination decreases with the increase in the layer count of few-layer InSe flakes.
文摘Semiconductors are a major category of functional materials essential to various applications to sustain the modern society.Most applied materials or devices utilizing semiconductors are enabled by interfaces or junctions,such as solar cells,electronic/photonic devices,environmental sensors,and redox hetero-catalysts.Herein,the author provides a critical commentary on photoemission measurement of the work function and,more importantly,the electron affinity of semiconductors essential for energy band diagram of heterojunctions.Particular effort is made towards addressing complications associated with Fermi level pinning due to surficial states of doped semiconductors.
基金The authors acknowledge funding from the Shanghai Pujiang Program,the National Natural Science Foundation of China(12004103)Hubei Provincial Natural Science Foundation of China(No.2020CFB414)+1 种基金Fundamental Research Funds for the Central Universities(19D111317,20D110638/003 and 274-10-0001/003)start-up grant from Donghua University(No.113-07-0053058).
文摘Since colossal ionic conductivity was detected in the planar heterostructures consisting of fluorite and perovskite,heterostructures have drawn great research interest as potential electrolytes for solid oxide fuel cells(SOFCs).However,so far,the practical uses of such promising material have failed to materialize in SOFCs due to the short circuit risk caused by SrTiO3.In this study,a series of fluorite/perovskite heterostructures made of Sm-doped CeO2 and SrTiO3(SDC–STO)are developed in a new bulk-heterostructure form and evaluated as electrolytes.The prepared cells exhibit a peak power density of 892 mW cm−2 along with open circuit voltage of 1.1 V at 550°C for the optimal composition of 4SDC–6STO.Further electrical studies reveal a high ionic conductivity of 0.05–0.14 S cm^−1 at 450–550°C,which shows remarkable enhancement compared to that of simplex SDC.Via AC impedance analysis,it has been shown that the small grain-boundary and electrode polarization resistances play the major roles in resulting in the superior performance.Furthermore,a Schottky junction effect is proposed by considering the work functions and electronic affinities to interpret the avoidance of short circuit in the SDC–STO cell.Our findings thus indicate a new insight to design electrolytes for low-temperature SOFCs.
基金This study was financially supported by the National Natural Science Foundation of China(Nos.U21A20332,52103226,52202275,52203314 and 12204253)the Distinguished Young Scholars Fund of Jiangsu Province(No.BK20220061).
文摘The engineering of the electronic configurations of active sites,together with the production of more accessible active sites through heterostructure design,has been established as a forceful methodology for boosting water electrolysis performance.Herein,a facile approach is developed to fabricate well-dispersed MoO_(2) and WO_(2) nanoparticles with abundant heterointerfaces entrapped in N,P-doped carbon nanofibers(referred to as MoO_(2)/WO_(2)@N,P-CNFs hereafter)as hydrogen evolution reaction(HER)electrocatalysts in alkaline and acidic electrolytes.Extensive spectroscopic analyses and theoretical findings manifest that the heterointerface formed by the work function modulation of MoO_(2)/WO_(2) triggers the spontaneous electron redistribution from MoO_(2)to WO_(2) and a built-in electric field,which is essential to promote water adsorption,optimize the H-intermediate adsorption energy,result in the enhanced charge transfer efficiency,and ultimately increase the intrinsic HER activity.Simultaneously,the intimate confinement of MoO_(2)/WO_(2) heterostructures in the porous carbon substrate can restrain the active sites from unfavorable coarsening and detachment,thus ensuring facilitated HER kinetics and outstanding structural robustness.As a result,MoO_(2)/WO_(2)@N,P-CNFs exhibit superior catalytic HER performance in acidic and basic solutions,requiring 118 and 95 mV overpotentials to achieve 10 mA·cm^(−2),respectively,surpassing a number of reported non-noble metal-based electrocatalysts.This work provides guidelines for the rational design and construction of special metallic heterocomponents with optimized interfacial electronic structure for various electrochemical technologies.
基金Project(51902342)supported by the National Natural Science Foundation of China。
文摘High density lanthanum hexaboride(LaB_(6))polycrystalline with(100)preferred orientation was prepared by spark plasma sintering(SPS)using LaB_(6) nanocubes as raw materials in this work.Microstructure and thermionic electron emission property of LaB_(6) polycrystalline were investigated detailedly.The results show that the LaB_(6) polycrystalline had a relative density of 95.8%,and there was a(100)preferred orientation on its surface normal to SPS pressing direction.The work function of LaB_(6) polycrystalline normal surface was only 2.73 eV,which was almost close to the theoretical work function of LaB_(6)(100)single crystal surface.The reasons for preferential orientation of LaB_(6) polycrystalline were analyzed.
基金the Natural Science Foundations of China(Nos.12174057,22179020)Natural Science Foundation of Fuccccjian Province(No.2021L3011)Fujian Natural Science Foundation for Distinguished Young Scholars(No.2020J06042)。
文摘Promoting interfacial reaction kinetics is highly desirable for achieving high-performances of anode material in alkali-ion batteries.Herein,flower-like MoSe_(2)/MoO_(3-x)@r GO composites are fabricated by a facile solvothermal method involving a thermal-treatment at 800°C.When evaluated as an anode material for potassium ion batteries,MoSe_(2)/MoO_(3-x)@r GO delivers 248.2 m A h g^(-1)after 50 cycles at 0.2 A g^(-1) with a capacity retention of 84.6%and 182.9 m A h g^(-1)after 150 cycles at 1.0 A g^(-1) with a capacity retention of almost 61.2%,superior to those of bare MoSe_(2)or MoSe_(2)@r GO composites.Analysis from electrochemical measurements,the amorphous MoO_(3-x)containing oxygen vacancies could not only effectively buffer the self-aggregation of MoSe_(2)nanosheets but also provides lots of accessible active sites for potassium ion storage.Additionally,the open channels in the amorphous MoO_(3-x) phase lead to easier ion hopping and smaller diffusion barriers.Furthermore,the built-in electric field at the interface would be beneficial for electron transfer and K-ion migration across the hetero-junction interface.Moreover,larger dielectric polarization induced by the high relative permittivity of amorphous MoO_(3-x) would reduce charge transfer resistance and enhance K-ion migration across electric double-layer.Our work provides new insight into the enhanced performance of anode material coated by an amorphous layer with large relative permittivity.
基金supported by National Natural Science Foundation of China (No. 11074039)National Key Project for Basic Research of China (No. 2011CBA00200)
文摘The magnetism and work function of pure Ni(001) and Ni-Cu slab alloys were investigated using first-principles methods based on density functional theory. The calculated results reveal that both magnetic moments and work functions of the alloys depend strongly on the surface orientation, but hardly on the distribution of doped Cu atoms for a given surface orientation. It is found that the doped Cu atoms have evident influence on the magnetic moment of Ni-Cu slabs, and the average magnetic moment of Ni atoms for Ni-Cu alloys decreases with increasing concentration of Cu atoms. Moreover, it is observed that the work function of Ni(001) is insensitive to the supercell thickness and the inner concentration of Cu atoms. In the meantime, the spin polarization is found to have an obvious role on the work function of the Ni-Cu alloys, which may give a new way to modulate the work function of the metal gate.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.61376096,61327813,and 11234007)
文摘The dependences of Fermi-level pinning on interface state densities for the metal-dielectric, ploycrystalline silicon-dielectric, and metal silicide-dielectric interfaces are investigated by calculating their effective work functions and their pinning factors. The Fermi-level pinning factors and effective work functions of the metal-dielectric interface are observed to be more susceptible to the increasing interface state densities, differing significantly from that of the ploycrystalline silicon-dielectric interface and the metal silicide-dielectric interface. The calculation results indicate that metal silicide gates with high-temperature resistance and low resistivity are a more promising choice for the design of gate materials in metal-oxide semiconductor（MOS） technology.
基金funded by the National Key Research and Development Program of China(No.2017YFB0702504)
文摘The initial micro-galvanic corrosion behavior of Mg-30wt%Ca alloy only containing Mg_(2)Ca andα-Mg was studied by immersion testing in a 0.9%Na Cl solution at 37°C.The quasi-in situ SEM and TEM results show that Mg_(2)Ca corroded easier thanα-Mg,indicating that Mg_(2)Ca acted as an anode.The work function(Φ)for Mg_(2)Ca calculated by first-principles is significantly lower compared to that forα-Mg.The Volta potential measured by a scanning Kelvin probe force microscope reveals that the Mg_(2)Ca had a relatively low Volta potential(ψ)value.The lowerΦandψvalues for Mg_(2)Ca indicate a lower electrochemical nobility,which is consistent with the experimental phenomenon.
