Correlation of work function and stacking fault energy through Kelvin probe force microscopy and nanohardness in diluteα-magnesium

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.

Modulating J-V hysteresis of planar perovskite solar cells and mini-modules via work function engineering

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.

Enhanced Work Function of Al-Doped Zinc-Oxide Thin Films by Oxygen Inductively Coupled Plasma Treatment

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.

Orchestrating Network Functions in Software-Defined Networks

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.

Effect of Gd doping on the magnetism and work function of Fe_(1-x)Gd_x/Fe(001)

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.

THE BAND STRUCTURE AND WORK FUNCTION OF TRANSPARENT CONDUCTING ALUMINUM AND MANGANESE CO-DOPED ZINC OXIDE 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.

Work Function Enhancement of Indium Tin Oxide via Oxygen Plasma Immersion Ion Implantation

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.

Performance of n-type silicon/silver composite anode material in lithium ion batteries: A study on effect of work function matching degree

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.

Work Functions of Pd_(83.5)Si_(16.5)and Cu_(70)Ti_(30)Glassy Alloys

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.

LaB6 Work Function and Structural Stability under High Pressure

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

Increased work function in PEDOT:PSS film under ultraviolet irradiation

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.

Work Function and Electron Affinity of Semiconductors:Doping Effect and Complication due to Fermi Level Pinning

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.

Work Function Optimization Technology of Indium Tin Oxide Films

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.

Increasing open circuit voltage by adjusting work function of hole-transporting materials in perovskite solar cells

A series of conductive polymers, i.e., poly（3-methylthiophene） （PMT）, poly（thiophene） （PT）, poly（3-bromothiophene） （PBT） and poly（3-chlorothiophene） （PCT）, were prepared via the electrochemical polymerization process. Subse- quently, their application as hole-transporting materials （HTMs） in CHBNI-I3Pb｜3 perovskite solar cells was explored. It was found that rationally increasing the work function of HTMs proves beneficial in improving the open circuit voltage （Voc） of the devices with an ITO/conductive-polymer/CHBNHBPbIg/C60/BCP/Ag structure. In addition, the higher-Voc devices with a higher-work-function HTM exhibited higher recombination resistances. The highest open circuit voltage of 1.04 V was obtained from devices with PCT, with a work function of -5.4 eV, as the hole-transporting layer. Its power conversion efficiency attained a value of approximately 16.5%, with a high fill factor of 0.764, an appreciable open voltage of 1.01 V and a short circuit current density of 21.4 mA.cm-2. This simple, controllable and low-cost manner of preparing HTMs will be beneficial to the production of large-area perovskite solar cells with a hole-transportin~ laver.

The effects of process condition of top-TiN and TaN thickness on the effective work function of MOSCAP with high-k/metal gate stacks

We introduced a TaN/TiAl/top-TiN triple-layer to modulate the effective work function of a TiN-based metal gate stack by varying the TaN thickness and top-TiN technology process. The results show that a thinner TaN and PVD-process top-TiN capping provide smaller effective work function （EWF）, and a thicker TaN and ALD-process top-TiN capping provides a larger EWF; here, the EWF shifts are from 4.25 to 4.56 eV. A physical understanding of the dependence of the EWF on the top-TiN technology process and TaN thickness is proposed. Compared with PVD-TiN room temperature process, the ALD-TiN 400 ℃ process provides more thermal budget. It would also promote more Al atoms to diffuse into the top-TiN rather than the bottom-TiN. Meanwhile, the thicker TaN prevents the Al atoms diffusing into the bottom-TiN. These facts induce the EWF to increase.

Structures, Stabilities and Work Functions of Alkali-metal-adsorbed Boron α1-Sheets

In this study, we employed the density functional theory method to simulate Li-, Na- and K-adsorbed boron α1-sheets（al-BSTs）. After optimizing possible structures, we investigated their thermodynamic stabilities, barriers for metal atom diffusion on the substrate, and work functions. The computed results indicate that the work function of α1-BST decreases significantly after the adsorption of Li, Na and K. Furthermore, under high hole coverage, these alkali-metal-adsorbed α1-BSTs have lower work functions than the two-dimensional materials of greatest concern and the commonly used electrode materials Ca and Mg. Therefore, the Li-, Na- and K-adsorbed α1-BSTs are potential low-work-function nanomaterials.

Work function engineering to enhance open-circuit voltage in planar perovskite solar cells by g-C_(3)N_(4) nanosheets

Enhancement of open-circuit voltage(Voc)is an effective way to improve power conversion efficiency(PCE)of the perovskite solar cells(PSCs).Theoretically,work function engineering of TiO2 electron transport layer can reduce both the loss of Voc and current hysteresis in PSCs.In this work,two-dimensional g-C_(3)N_(4) nanosheets were adopted to modify the compact TiO2 layers in planar PSCs,which can finely tune the work function(WF)and further improve the energy level alignment at the interface to enhance the Voc and diminish the hysteresis.Meanwhile,the quality of perovskite films and charge transfer of the devices were improved by g-C_(3)N_(4) nanosheets.Therefore,the PCE of the planar PSCs was champed to 19.55%without obvious hysteresis compared with the initial 15.81%,mainly owing to the remarkable improvement of VOC from 1.01 to 1.11 V.In addition,the stability of the devices was obviously improved.The results demonstrate an effective strategy of W_(F) engineering to enhance Voc and diminish hysteresis phenomenon for improving the performance of PSCs.

Material properties and effective work function of reactive sputtered TaN gate electrodes

The resistivity, crystalline structure and effective work function （EWF） of reactive sputtered TaN has been investigated. As-deposited TaN films have an fcc structure. After post-metal annealing （PMA） at 900℃, the TaN films deposited with a N2 flow rate greater than 6.5 sccm keep their fcc structure, while the films deposited with a N2 flow rate lower than 6.25 sccm exhibit a microstructure change. The flatband voltages of gate stacks with TaN films as gate electrodes on SiO2 and HfO2 are also measured. It is concluded that a dipole is formed at the dielectric-TaN interface and its contribution to the EWF of TaN changes with the Ta/N ratio in TaN, the underneath dielectric layer and the PMA conditions.

Modulation of the effective work function of a TiN metal gate for NMOS requisition with Al incorporation

The effect of Al incorporation on the effective work function（EWF） of TiN metal gate was systematically investigated.Metal-oxide-semiconductor（MOS） capacitors with W/TiN/Al/TiN gate stacks were used to fulfill this purpose.Different thickness ratios of Al to TiN and different post metal annealing（PMA） conditions were employed.Significant shift of work function towards to Si conduction band was observed,which was suitable for NMOS and the magnitude of shift depends on the processing conditions.