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
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
Electronic interactions of the Group 2A elements with magnesium have been studied through the dilute solid solutions in binary Mg-Ca,Mg-Sr and Mg-Ba systems.This investigation incorporated the difference in the‘Work ...Electronic interactions of the Group 2A elements with magnesium have been studied through the dilute solid solutions in binary Mg-Ca,Mg-Sr and Mg-Ba systems.This investigation incorporated the difference in the‘Work Function'(ΔWF)measured via Kelvin Probe Force Microscopy(KPFM),as a property directly affected by interatomic bond types,i.e.the electronic structure,nanoindentation measurements,and Stacking Fault Energy values reported in the literature.It was shown that the nano-hardness of the solid-solutionα-Mg phase changed in the order of Mg-Ca>Mg-Sr>Mg-Ba.Thus,it was shown,by also considering the nano-hardness levels,that SFE of a solid-solution is closely correlated with its‘Work Function'level.Nano-hardness measurements on the eutectics andΔWF difference between eutectic phases enabled an assessment of the relative bond strength and the pertinent electronic structures of the eutectics in the three alloys.Correlation withΔWF and at least qualitative verification of those computed SFE values with some experimental measurement techniques were considered important as those computational methods are based on zero Kelvin degree,relatively simple atomic models and a number of assumptions.As asserted by this investigation,if the results of measurement techniques can be qualitatively correlated with those of the computational methods,it can be possible to evaluate the electronic structures in alloys,starting from binary systems,going to ternary and then multi-elemental systems.Our investigation has shown that such a qualitative correlation is possible.After all,the SFE values are not treated as absolute values but rather become essential in comparative investigations when assessing the influences of alloying elements at a fundamental level,that is,free electron density distributions.Our study indicated that the principles of‘electronic metallurgy'in developing multi-elemental alloy systems can be followed via practical experimental methods,i.e.ΔWF measurements using KPFM and nanoindentation.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
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
In this paper, two types of silicon（Si） particles ball-milled from n-type Si wafers, respectively, with resistivity values of 1 Ω·cm and 0.001 Ω·cm are deposited with silver（Ag）. The Ag-deposited n-typ...In this paper, two types of silicon（Si） particles ball-milled from n-type Si wafers, respectively, with resistivity values of 1 Ω·cm and 0.001 Ω·cm are deposited with silver（Ag）. The Ag-deposited n-type 1-Ω·cm Si particles（nl-Ag） and Ag-deposited n-type 0.001-Ω·cm Si particles（n0.001-Ag） are separately used as an anode material to assemble coin cells,of which the electrochemical performances are investigated. For the matching of work function between n-type 1-Ω·cm Si（nl） and Ag, nl-Ag shows discharge specific capacity of up to 683 mAh·g^-1 at a current density of 8.4 A·g^-1, which is40% higher than that of n0.001-Ag. Furthermore, the resistivity of nl-Ag is lower than half that of n0.001-Ag. Due to the mismatch of work function between n-type 0.001-Ω·cm Si（n0.001） and Ag, the discharge specific capacity of n0.001-Ag is 250.2 mAh·g^-1 lower than that of nl-Ag after 100 cycles.展开更多
Al-doped zinc-oxide （AZO） thin films treated by oxygen and chlorine inductively coupled plasma （ICP） were compared. Kelvin probe （KP） and X-ray photoelectron spectroscopy （XPS） were employed to characterize th...Al-doped zinc-oxide （AZO） thin films treated by oxygen and chlorine inductively coupled plasma （ICP） were compared. Kelvin probe （KP） and X-ray photoelectron spectroscopy （XPS） were employed to characterize the effect of treatment. The results of KP measurement show that the surface work function of AZO thin films can increase up to 5.92 eV after oxygen ICP （O-ICP）＇s treatment, which means that the work function was increased by at least 1.1 eV. However, after the treatment of chlorine ICP （CI-ICP）, the work function increased to 5.44 eV, and the increment was 0.6 eV. And 10 days later, the work function increment was still 0.4 eV after O-ICP＇s treatment, while the work function after Cl-ICP＇s treatment came back to the original value only after 48 hours. The XPS results suggested that the O-ICP treatment was more effective than CI-ICP for enhancing the work function of AZO films, which is well consistent with KP results.展开更多
Software.defined networking(SDN) enables third.part companies to participate in the network function innovations. A number of instances for one network function will inevitably co.exist in the network. Although some o...Software.defined networking(SDN) enables third.part companies to participate in the network function innovations. A number of instances for one network function will inevitably co.exist in the network. Although some orchestration architecture has been proposed to chain network functions, rare works are focused on how to optimize this process. In this paper, we propose an optimized model for network function orchestration, function combination model(FCM). Our main contributions are as following. First, network functions are featured with a new abstraction, and are open to external providers. And FCM identifies network functions using unique type, and organizes their instances distributed over the network with the appropriate way. Second, with the specialized demands, we can combine function instances under the global network views, and formulate it into the problem of Boolean linear program(BLP). A simulated annealing algorithm is designed to approach optimal solution for this BLP. Finally, the numerical experiment demonstrates that our model can create outstanding composite schemas efficiently.展开更多
The magnetism and work function Ф of Fe1-xGdx/Fe （001） films have been investigated using first-principles methods based on the density functional theory. The calculated results reveal that Gd doping on the Fe （00...The magnetism and work function Ф of Fe1-xGdx/Fe （001） films have been investigated using first-principles methods based on the density functional theory. The calculated results reveal that Gd doping on the Fe （001） surface would greatly affect the geometrical structure of the system. The restruction of the surface atoms leads to the transition of magnetic coupling between Gd and Fe atoms from ferromagnetic （FM） for 0.5 ≤x ≤ 0.75 to antiferromagnetic （AFM） for x = 1.0. For Fe1-xGdx/Fe （001） （x = 0.25, 0.5, 0.75, 1.0）, the charge transfer from Gd to Fe leads to a positive dipole formed on the surface, which is responsible for the decrease of the work function. Moreover, it is found that the magnetic moments of Fe and Gd on the surface layer can be strongly influenced by Gd doping. The changes of the work function and magnetism for Fe1-xGdx/Fe （001） can be explained by the electron transfer, the magnetic coupling interaction between Gd and Fe atoms, and the complex surface restruction. Our work strongly suggests that the doping of the metal with a low work function is a promising way for modulating the work function of the magnetic metal gate.展开更多
Al and Mn co-doped-ZnO films have been prepared at room temperature by DC reacti ve magnetron sputtering technique. The optical absorption coefficient, apparent and fundamental band gap, and work function of the films...Al and Mn co-doped-ZnO films have been prepared at room temperature by DC reacti ve magnetron sputtering technique. The optical absorption coefficient, apparent and fundamental band gap, and work function of the films have been investigated using optical spectroscopy, band structure analyses and ultraviolet photoelectro n spectroscopy (UPS). ZnO films have direct allowed transition band structure, w hich has been confirmed by the character of the optical absorption coefficient. The apparent band gap has been found directly proportional to N2/3, showing that the effect of Burstein-Moss shift on the band gap variations dominates over the many-body effect. With only standard cleaning protocols, the work function of ZnO: (Al, Mn) and ZnO: Al films have been measured to be 4.26 and 4.21eV, respec tively. The incorporation of Mn element into the matrix of ZnO, as a relatively deep donor, can remove some electrons from the conduction band and deplete the d ensity of occupied states at the Fermi energy, which causes a loss in measured p hotoemission intensity and an increase in the surface work function. Based on th e band gap and work function results, the energy band diagram of the ZnO: (Al, M n) film near its surface is also given.展开更多
Indium tin oxide （ITO） transparent conducting film was treated with oxygen plasma immersion ion implantation （PIII）. X-ray photoelectron spectroscopy （XPS） was employed to characterize the effect. The results su...Indium tin oxide （ITO） transparent conducting film was treated with oxygen plasma immersion ion implantation （PIII）. X-ray photoelectron spectroscopy （XPS） was employed to characterize the effect. The results suggested that the oxygen content in the surface was increased and maintained for more than 50 h compared with traditional plasma-treated samples. Meanwhile, the work function of ITO estimated by comparing the peak shift in the XPS diagram suggested a corresponding increase by more than 1 eV.展开更多
The work functions before and after crystallization of two glassy alloys,Pd_(83.5)Si_(16.5) and Cu_(70)Ti_(30) have been measured by means of the con- tact potential difference method in the secondary electron field a...The work functions before and after crystallization of two glassy alloys,Pd_(83.5)Si_(16.5) and Cu_(70)Ti_(30) have been measured by means of the con- tact potential difference method in the secondary electron field at room temperature under 10^(-5) Pa vacuum.The results show that the work functions of both glassy alloys are higher than those of the corresponding crystalline alloys.展开更多
Fracture toughness determines materials＇ resistance to fracture, which is measured often using impact or bending tests. However, it is difficult to evaluate fracture toughness of coatings and small samples.In this ar...Fracture toughness determines materials＇ resistance to fracture, which is measured often using impact or bending tests. However, it is difficult to evaluate fracture toughness of coatings and small samples.In this article, using white irons as sample materials, we explore a possible approach of using electron work function（EWF） as an indicator in evaluating fracture toughness of hard metallic materials. This parameter is promising for being utilized to analyze toughness of protective coatings and small objects as well as bulk materials. Through comparison with results obtained from impact tests and elastic modulus measurement, effectiveness of this EWF approach is demonstrated.展开更多
Electronic regulation of carbon is essential for developing non-platinum electrocatalysts for oxygen reduction reactions(ORRs).In this work,we used Cs to further regulate the electronic structure of nitrogen-doped(N-d...Electronic regulation of carbon is essential for developing non-platinum electrocatalysts for oxygen reduction reactions(ORRs).In this work,we used Cs to further regulate the electronic structure of nitrogen-doped(N-doped)carbon.The Cs atoms coordinated with the nitrogen atom in the N-doped carbon for injecting electrons into the carbon conjugate structure and reducing the work function of the carbon network.The low-work-function surface improved electron donation,facilitated O_(2) dissociation,and enhanced the adsorption of an OOH^(*) intermediate.Thus,electrocatalytic performance for the ORR was improved.The material shows potential as an ORR electrocatalyst comparable with Pt/C.展开更多
An increase of work function （0.3 eV） is achieved by irradiating poly（3,4-ethylenedioxythiophene）：poly（styrene sul- fonate） （PEDOT：PSS） film in vacuum with 254-nm ultraviolet （UV） light. The mechanism for ...An increase of work function （0.3 eV） is achieved by irradiating poly（3,4-ethylenedioxythiophene）：poly（styrene sul- fonate） （PEDOT：PSS） film in vacuum with 254-nm ultraviolet （UV） light. The mechanism for such an improvement is investigated by photoelectron yield spectroscopy, X-ray photo electron energy spectrum, and field emission technique. Sur- face oxidation and composition change are found as the reasons for work function increase. The UV-treated PEDOT：PSS film is used as the hole injection layer in a hole-only device. Hole injection is improved by UV-treated PEDOT：PSS film without baring the enlargement of film resistance. Our result demonstrates that UV treatment is more suitable for modifying the injection barrier than UV ozone exposure.展开更多
The work functions of the （110） and （10（3） surfaces of LaB6 are determined from ambient pressure to 39.1 GPa. The work function of the （110） surface slowly decreases but that of the （100） surface remains at a...The work functions of the （110） and （10（3） surfaces of LaB6 are determined from ambient pressure to 39.1 GPa. The work function of the （110） surface slowly decreases but that of the （100） surface remains at a relatively constant value. To determine the reason for this difference, the electron density distribution （EDD） is determined from high-pressure single-crystal x-ray diffraction data by the maximum entropy method. The EDD results show that the chemical bond properties in LaB6 play a key role also investigated by single-crystal x-ray diffraction. In observed from ambient pressure to 39.1 GPa. The structural stability of LaB6 under high pressure is this study, no structural or electronic phase transition is展开更多
Commercialization of perovskite solar cells(PSCs) requires the development of high-efficiency devices with none current density-voltage(J-V) hysteresis. Here, electron transport layers(ETLs) with gradual change in wor...Commercialization of perovskite solar cells(PSCs) requires the development of high-efficiency devices with none current density-voltage(J-V) hysteresis. Here, electron transport layers(ETLs) with gradual change in work function(WF) are successfully fabricated and employed as an ideal model to investigate the energy barriers, charge transfer and recombination kinetics at ETL/perovskite interface. The energy barrier for electron injection existing at ETL/perovskite is directly assessed by surface photovoltage microscopy, and the results demonstrate the tunable barriers have significant impact on the J-V hysteresis and performance of PSCs. By work function engineering of ETL, PSCs exhibit PCEs over 21% with negligible hysteresis. These results provide a critical understanding of the origin reason for hysteresis effect in planar PSCs, and clear reveal that the J-V hysteresis can be effectively suppressed by carefully tuning the interface features in PSCs. By extending this strategy to a modified formamidinium-cesium-rubidium(FA-Cs-Rb) perovskite system, the PCEs are further boosted to 24.18%. Moreover, 5 cm × 5 cm perovskite mini-modules are also fabricated with an impressive efficiency of 20.07%, demonstrating compatibility and effectiveness of our strategy on upscaled devices.展开更多
Indium tin oxide(In_(2)O_(3)∶Sn)film is one of the most potential materials in the field of semiconductor industry.However,untreated In2O3∶Sn film has a low work function which can result in a high energy barrier th...Indium tin oxide(In_(2)O_(3)∶Sn)film is one of the most potential materials in the field of semiconductor industry.However,untreated In2O3∶Sn film has a low work function which can result in a high energy barrier that hinders the passage of carriers through the interface,thus leading to poor overall performance of directly prepared devices.In this study,crystalline transparent conductive In_(2)O_(3)∶Sn films were prepared by plasma exposure assisted magnetron sputtering under room temperature.Based on multiple testing methods,it can be found that the low temperature crystallization characteristics of In_(2)O_(3)∶Sn film were enhanced and the work function was effectively improved after Ar^(+)plasma exposure.The increase of the work function of In_(2)O_(3)∶Sn film was due to the increment of Sn⁃O bond on the surface brought by the transition from low oxidation state Sn^(2+)to high oxidation state Sn^(4+)under the action of high exposure.展开更多
Work function plays a significant role in surface chemistry. Local work function provides the information of local d/pole-d/pole interaction and charge distribution between adsorbates and substrate, highlighting the l...Work function plays a significant role in surface chemistry. Local work function provides the information of local d/pole-d/pole interaction and charge distribution between adsorbates and substrate, highlighting the local charge effect of the targeted spot which is normally smeared out in conventional average work function measurements. Chloroaluminum phthalocyanine （CIA1Pc）, an important optoelectronic molecule with a permanent dipole moment pointing from the Pc ring to the ending CI atom, adsorbed on Au（111） in either Cl-up or Cl-down configuration. Scanning tunneling microscopy/spectroscopy measurements revealed that at the centers of Cl-up and CI-down molecules, the local work functions changed oppositely with respect to the Au（111） substrate. At their Pc lobes, however, the local work functions unanimously increased due to charging effect of the indole lobes in the CIAIPc molecule.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.
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financial support for this work provided by Eski sehir Technical University Scientific Research Projects Unit with Grant Number 20DRP059support provided by the Turkish Ministry of Science,Industry and Technology under the SANTEZ Project 0286.STZ.2013±2。
文摘Electronic interactions of the Group 2A elements with magnesium have been studied through the dilute solid solutions in binary Mg-Ca,Mg-Sr and Mg-Ba systems.This investigation incorporated the difference in the‘Work Function'(ΔWF)measured via Kelvin Probe Force Microscopy(KPFM),as a property directly affected by interatomic bond types,i.e.the electronic structure,nanoindentation measurements,and Stacking Fault Energy values reported in the literature.It was shown that the nano-hardness of the solid-solutionα-Mg phase changed in the order of Mg-Ca>Mg-Sr>Mg-Ba.Thus,it was shown,by also considering the nano-hardness levels,that SFE of a solid-solution is closely correlated with its‘Work Function'level.Nano-hardness measurements on the eutectics andΔWF difference between eutectic phases enabled an assessment of the relative bond strength and the pertinent electronic structures of the eutectics in the three alloys.Correlation withΔWF and at least qualitative verification of those computed SFE values with some experimental measurement techniques were considered important as those computational methods are based on zero Kelvin degree,relatively simple atomic models and a number of assumptions.As asserted by this investigation,if the results of measurement techniques can be qualitatively correlated with those of the computational methods,it can be possible to evaluate the electronic structures in alloys,starting from binary systems,going to ternary and then multi-elemental systems.Our investigation has shown that such a qualitative correlation is possible.After all,the SFE values are not treated as absolute values but rather become essential in comparative investigations when assessing the influences of alloying elements at a fundamental level,that is,free electron density distributions.Our study indicated that the principles of‘electronic metallurgy'in developing multi-elemental alloy systems can be followed via practical experimental methods,i.e.ΔWF measurements using KPFM and nanoindentation.
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 China Postdoctoral Science Foundation(Grant No.2016M592115)the Jiangxi Postdoctoral Foundation,China(Grant No.2015KY12)+1 种基金the Fund from the Jiangxi Provincial Education Department,China(Grant No.150184)the Fund from Nanchang University,China(Grant No.CX2017006)
文摘In this paper, two types of silicon（Si） particles ball-milled from n-type Si wafers, respectively, with resistivity values of 1 Ω·cm and 0.001 Ω·cm are deposited with silver（Ag）. The Ag-deposited n-type 1-Ω·cm Si particles（nl-Ag） and Ag-deposited n-type 0.001-Ω·cm Si particles（n0.001-Ag） are separately used as an anode material to assemble coin cells,of which the electrochemical performances are investigated. For the matching of work function between n-type 1-Ω·cm Si（nl） and Ag, nl-Ag shows discharge specific capacity of up to 683 mAh·g^-1 at a current density of 8.4 A·g^-1, which is40% higher than that of n0.001-Ag. Furthermore, the resistivity of nl-Ag is lower than half that of n0.001-Ag. Due to the mismatch of work function between n-type 0.001-Ω·cm Si（n0.001） and Ag, the discharge specific capacity of n0.001-Ag is 250.2 mAh·g^-1 lower than that of nl-Ag after 100 cycles.
基金supported by National Natural Science Foundation of China(Nos.1100502151177017 and 11175049)+1 种基金the Fudan University Excellent Doctoral Research Program(985 Project) the Ph.D Programs Foundation of Ministry of Education of China(No.20120071110031)
文摘Al-doped zinc-oxide （AZO） thin films treated by oxygen and chlorine inductively coupled plasma （ICP） were compared. Kelvin probe （KP） and X-ray photoelectron spectroscopy （XPS） were employed to characterize the effect of treatment. The results of KP measurement show that the surface work function of AZO thin films can increase up to 5.92 eV after oxygen ICP （O-ICP）＇s treatment, which means that the work function was increased by at least 1.1 eV. However, after the treatment of chlorine ICP （CI-ICP）, the work function increased to 5.44 eV, and the increment was 0.6 eV. And 10 days later, the work function increment was still 0.4 eV after O-ICP＇s treatment, while the work function after Cl-ICP＇s treatment came back to the original value only after 48 hours. The XPS results suggested that the O-ICP treatment was more effective than CI-ICP for enhancing the work function of AZO films, which is well consistent with KP results.
基金supported by the China Postdoctoral Fund Project (No.44603)the National Natural Science Foundation of China (No.61309020)+1 种基金the National key Research and Development Program of China (No.2016YFB0800100, 2016YFB0800101)the National Natural Science Fund for Creative Research Groups Project(No.61521003)
文摘Software.defined networking(SDN) enables third.part companies to participate in the network function innovations. A number of instances for one network function will inevitably co.exist in the network. Although some orchestration architecture has been proposed to chain network functions, rare works are focused on how to optimize this process. In this paper, we propose an optimized model for network function orchestration, function combination model(FCM). Our main contributions are as following. First, network functions are featured with a new abstraction, and are open to external providers. And FCM identifies network functions using unique type, and organizes their instances distributed over the network with the appropriate way. Second, with the specialized demands, we can combine function instances under the global network views, and formulate it into the problem of Boolean linear program(BLP). A simulated annealing algorithm is designed to approach optimal solution for this BLP. Finally, the numerical experiment demonstrates that our model can create outstanding composite schemas efficiently.
基金Project supported by the National Natural Science Foundation of China(Grant No.11004039)the National Basic Research Program of China(Grant No.2011CBA00200)
文摘The magnetism and work function Ф of Fe1-xGdx/Fe （001） films have been investigated using first-principles methods based on the density functional theory. The calculated results reveal that Gd doping on the Fe （001） surface would greatly affect the geometrical structure of the system. The restruction of the surface atoms leads to the transition of magnetic coupling between Gd and Fe atoms from ferromagnetic （FM） for 0.5 ≤x ≤ 0.75 to antiferromagnetic （AFM） for x = 1.0. For Fe1-xGdx/Fe （001） （x = 0.25, 0.5, 0.75, 1.0）, the charge transfer from Gd to Fe leads to a positive dipole formed on the surface, which is responsible for the decrease of the work function. Moreover, it is found that the magnetic moments of Fe and Gd on the surface layer can be strongly influenced by Gd doping. The changes of the work function and magnetism for Fe1-xGdx/Fe （001） can be explained by the electron transfer, the magnetic coupling interaction between Gd and Fe atoms, and the complex surface restruction. Our work strongly suggests that the doping of the metal with a low work function is a promising way for modulating the work function of the magnetic metal gate.
基金This work was supported by the National Nalural Science Foundation of China(No.50172051).
文摘Al and Mn co-doped-ZnO films have been prepared at room temperature by DC reacti ve magnetron sputtering technique. The optical absorption coefficient, apparent and fundamental band gap, and work function of the films have been investigated using optical spectroscopy, band structure analyses and ultraviolet photoelectro n spectroscopy (UPS). ZnO films have direct allowed transition band structure, w hich has been confirmed by the character of the optical absorption coefficient. The apparent band gap has been found directly proportional to N2/3, showing that the effect of Burstein-Moss shift on the band gap variations dominates over the many-body effect. With only standard cleaning protocols, the work function of ZnO: (Al, Mn) and ZnO: Al films have been measured to be 4.26 and 4.21eV, respec tively. The incorporation of Mn element into the matrix of ZnO, as a relatively deep donor, can remove some electrons from the conduction band and deplete the d ensity of occupied states at the Fermi energy, which causes a loss in measured p hotoemission intensity and an increase in the surface work function. Based on th e band gap and work function results, the energy band diagram of the ZnO: (Al, M n) film near its surface is also given.
基金supported by National Natural Science Foundation of China(Nos.11005021,51177017 and 11175049)
文摘Indium tin oxide （ITO） transparent conducting film was treated with oxygen plasma immersion ion implantation （PIII）. X-ray photoelectron spectroscopy （XPS） was employed to characterize the effect. The results suggested that the oxygen content in the surface was increased and maintained for more than 50 h compared with traditional plasma-treated samples. Meanwhile, the work function of ITO estimated by comparing the peak shift in the XPS diagram suggested a corresponding increase by more than 1 eV.
文摘The work functions before and after crystallization of two glassy alloys,Pd_(83.5)Si_(16.5) and Cu_(70)Ti_(30) have been measured by means of the con- tact potential difference method in the secondary electron field at room temperature under 10^(-5) Pa vacuum.The results show that the work functions of both glassy alloys are higher than those of the corresponding crystalline alloys.
基金financial support from the Natural Science and Engineering Research Council of CanadaCamber Technology Corporation+3 种基金Suncor Energy Inc.Shell Canada Ltd.Magna International Inc.Volant Products Inc.
文摘Fracture toughness determines materials＇ resistance to fracture, which is measured often using impact or bending tests. However, it is difficult to evaluate fracture toughness of coatings and small samples.In this article, using white irons as sample materials, we explore a possible approach of using electron work function（EWF） as an indicator in evaluating fracture toughness of hard metallic materials. This parameter is promising for being utilized to analyze toughness of protective coatings and small objects as well as bulk materials. Through comparison with results obtained from impact tests and elastic modulus measurement, effectiveness of this EWF approach is demonstrated.
文摘Electronic regulation of carbon is essential for developing non-platinum electrocatalysts for oxygen reduction reactions(ORRs).In this work,we used Cs to further regulate the electronic structure of nitrogen-doped(N-doped)carbon.The Cs atoms coordinated with the nitrogen atom in the N-doped carbon for injecting electrons into the carbon conjugate structure and reducing the work function of the carbon network.The low-work-function surface improved electron donation,facilitated O_(2) dissociation,and enhanced the adsorption of an OOH^(*) intermediate.Thus,electrocatalytic performance for the ORR was improved.The material shows potential as an ORR electrocatalyst comparable with Pt/C.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.61076057,61376059,61171023,and 91221202,)the National Basic Research Program of China(Grant Nos.2012CB932701 and 2011CB933001)
文摘An increase of work function （0.3 eV） is achieved by irradiating poly（3,4-ethylenedioxythiophene）：poly（styrene sul- fonate） （PEDOT：PSS） film in vacuum with 254-nm ultraviolet （UV） light. The mechanism for such an improvement is investigated by photoelectron yield spectroscopy, X-ray photo electron energy spectrum, and field emission technique. Sur- face oxidation and composition change are found as the reasons for work function increase. The UV-treated PEDOT：PSS film is used as the hole injection layer in a hole-only device. Hole injection is improved by UV-treated PEDOT：PSS film without baring the enlargement of film resistance. Our result demonstrates that UV treatment is more suitable for modifying the injection barrier than UV ozone exposure.
基金Supported by the National Natural Science Foundation of China under Grant Nos 11274030 and 11474281
文摘The work functions of the （110） and （10（3） surfaces of LaB6 are determined from ambient pressure to 39.1 GPa. The work function of the （110） surface slowly decreases but that of the （100） surface remains at a relatively constant value. To determine the reason for this difference, the electron density distribution （EDD） is determined from high-pressure single-crystal x-ray diffraction data by the maximum entropy method. The EDD results show that the chemical bond properties in LaB6 play a key role also investigated by single-crystal x-ray diffraction. In observed from ambient pressure to 39.1 GPa. The structural stability of LaB6 under high pressure is this study, no structural or electronic phase transition is
基金supported by the National Natural Science Foundation of China (Grant No. NSFC62004182)the Career Development Grant of Institute of Chemical Materials (Grant No. STB-2021-10)the Sichuan Science and Technology Program (Grant No. 2022JDRC0021)。
文摘Commercialization of perovskite solar cells(PSCs) requires the development of high-efficiency devices with none current density-voltage(J-V) hysteresis. Here, electron transport layers(ETLs) with gradual change in work function(WF) are successfully fabricated and employed as an ideal model to investigate the energy barriers, charge transfer and recombination kinetics at ETL/perovskite interface. The energy barrier for electron injection existing at ETL/perovskite is directly assessed by surface photovoltage microscopy, and the results demonstrate the tunable barriers have significant impact on the J-V hysteresis and performance of PSCs. By work function engineering of ETL, PSCs exhibit PCEs over 21% with negligible hysteresis. These results provide a critical understanding of the origin reason for hysteresis effect in planar PSCs, and clear reveal that the J-V hysteresis can be effectively suppressed by carefully tuning the interface features in PSCs. By extending this strategy to a modified formamidinium-cesium-rubidium(FA-Cs-Rb) perovskite system, the PCEs are further boosted to 24.18%. Moreover, 5 cm × 5 cm perovskite mini-modules are also fabricated with an impressive efficiency of 20.07%, demonstrating compatibility and effectiveness of our strategy on upscaled devices.
基金Sponsored by the National Science Fund for Distinguished Young Scholars of China(Grant No.51625201).
文摘Indium tin oxide(In_(2)O_(3)∶Sn)film is one of the most potential materials in the field of semiconductor industry.However,untreated In2O3∶Sn film has a low work function which can result in a high energy barrier that hinders the passage of carriers through the interface,thus leading to poor overall performance of directly prepared devices.In this study,crystalline transparent conductive In_(2)O_(3)∶Sn films were prepared by plasma exposure assisted magnetron sputtering under room temperature.Based on multiple testing methods,it can be found that the low temperature crystallization characteristics of In_(2)O_(3)∶Sn film were enhanced and the work function was effectively improved after Ar^(+)plasma exposure.The increase of the work function of In_(2)O_(3)∶Sn film was due to the increment of Sn⁃O bond on the surface brought by the transition from low oxidation state Sn^(2+)to high oxidation state Sn^(4+)under the action of high exposure.
基金supported by National Natural Science Foundation of China(Nos. 91527303, 21333001,21373020, 61321001)MOST(Nos.2013CB933404,2014CB239302),China
文摘Work function plays a significant role in surface chemistry. Local work function provides the information of local d/pole-d/pole interaction and charge distribution between adsorbates and substrate, highlighting the local charge effect of the targeted spot which is normally smeared out in conventional average work function measurements. Chloroaluminum phthalocyanine （CIA1Pc）, an important optoelectronic molecule with a permanent dipole moment pointing from the Pc ring to the ending CI atom, adsorbed on Au（111） in either Cl-up or Cl-down configuration. Scanning tunneling microscopy/spectroscopy measurements revealed that at the centers of Cl-up and CI-down molecules, the local work functions changed oppositely with respect to the Au（111） substrate. At their Pc lobes, however, the local work functions unanimously increased due to charging effect of the indole lobes in the CIAIPc molecule.
