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Stabilizing silver window electrodes for organic photovoltaics using a mercaptosilane monolayer
摘要： A single layer of the bifunctional molecule 3-mercaptopropyltrimethoxysilane is shown to be remarkably effective at improving the stability of optically thin silver film electrodes towards spontaneous morphological change and oxidation by airborne sulfur. Inclusion of this layer in the novel transparent electrode; WO3 (30 nm) / silver (13 nm) / sol-gel ZnO (27 nm), at the silver / ZnO interface improves the efficiency of organic photovoltaic devices using this electrode by 20%, such that the power conversion efficiency is very close to that achievable using a conventional indium-tin oxide glass electrode; 9.6 % – 0.2 % vs 10.0 % – 0.3 %, with the advantage that the silver electrode has a sheet resistance one third that of the ITO glass ((cid:3)4 Ohms sq-1). The mercaptosilane monolayer is also shown to retard silver diffusion into the ZnO layer whilst imparting a favorable (cid:3)400 meV reduction in electrode work function. In addition to its utility inside the device, this molecular layer is shown to be useful for improving the stability of the silver film electrodes in top-illuminated semi-transparent photovoltaics, since it can be deposited directly onto a completed device from the vapor phase.
关键词： organic photovoltaic,silane,transparent electrode,silver electrode,3-mercaptopropyltrimethoxysilane,Monolayer,work function,organic solar cell
更新于2025-11-03 10:59:25
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Alkali-metal-adsorbed g-GaN monolayer: ultralow work functions and optical properties
摘要： The electronic and optical properties of alkali-metal-adsorbed graphene-like gallium nitride (g-GaN) have been investigated using density functional theory. The results denote that alkali-metal-adsorbed g-GaN systems are stable compounds, with the most stable adsorption site being the center of the hexagonal ring. In addition, because of charge transfer from the alkali-metal atom to the host, the g-GaN layer shows clear n-type doping behavior. The adsorption of alkali metal atoms on g-GaN occurs via chemisorption. More importantly, the work function of g-GaN is substantially reduced following the adsorption of alkali-metal atoms. Specifically, the Cs-adsorbed g-GaN system shows an ultralow work function of 0.84 eV, which has great potential application in field-emission devices. In addition, the alkali-metal adsorption can lead to an increase in the static dielectric constant and extend the absorption spectrum of g-GaN.
关键词： Density functional theory,Optical properties,Field emission device,Adsorption,Work function,G-GaN
更新于2025-09-23 15:23:52
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Hybrid ZnON-Organic Light Emitting Transistors with Low Threshold Voltage <5 V
摘要： The electrical and optical properties of inorganic–organic hybrid light emitting transistors (HLETs) are investigated, which are fabricated using the n-type semiconductor zinc-oxynitride (ZnON) as an electron transporting layer and the poly(p-phenylene vinylene)-based copolymer, Super Yellow (SY), as the light emitting layer. Additionally, the influence of various source (S)–drain (D) electrodes (Al, Ag, and Au) with different work functions (WFs) (4.1, 4.6, and 5.1 eV, respectively) on the performance of HLETs is studied. In order to increase the rate of hole injection from the metal electrodes and increase hole accumulation at the emissive layer, the use of a molybdenum oxide (MoOx) interlayer is also investigated. As a result, optimized devices using MoOx/Au hole injecting electrodes yield high brightness of up to 3.04 × 10^4 cd?m^?2 at a low threshold voltage of 4.79 V. This study provides valuable information about the role of the WF of S–D electrodes in HLETs, which may be exploited to improve the device performance of optoelectronic devices in the future.
关键词： zinc-oxynitride,light emitting transistors,work function,super yellow,low threshold voltage
更新于2025-09-23 15:23:52
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TFET performance optimization using gate work function engineering
摘要： This work presents main electrical characteristics improvement in a nanoscale tunnel ?eld-effect transistor (TFET) with 50 nm channel length, applying work function engineering techniques. Three different metal gate materials with dedicated work functions are utilized to optimize the TFET performance. By gate work function and length optimization, the main parameters of Ion = 5910-5 A/lm, Ioff = 2.5 9 10-15 A/lm, Iamb = 3910-7 A/lm, and subthreshold swing = 51.01 mV/decade are obtained in accordance with tunneling barrier shape at source/channel and drain/channel junctions. The work function engineering techniques, presented in the current work, results in 1.22 times improvement in ION and 0.99 times improvement in IOFF.
关键词： Planar triple metal gate,TFET,Work function engineering
更新于2025-09-23 15:23:52
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Effect of Au2Cl6 Doping on Stability and Work Function of Graphene
摘要： The first-principles method based on the density functional theory are used to study the work function and stability of the bilayer graphene doped with the Au2Cl6. The results show that the Au2Cl6 interlayer doping, like the common surface doping method, significantly increases the work function of graphene and successfully obtains p-type graphene. In addition, p-type graphene obtained by interlayer doping has better stability than surface doping. Considering the poor stability is a major problem faced in the practical application of surface-doped p-type graphene, this study shows that the interlayer doping of Au2Cl6 is a promising preparation method for p-type graphene.
关键词： first principle,graphene,Au2Cl6 molecule,work function
更新于2025-09-23 15:23:52
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Two Dimensional β-InSe with Layer-Dependent Properties: Band Alignment, Work Function and Optical Properties
摘要： Density functional theory calculations of the layer (L)-dependent electronic band structure, work function and optical properties of β-InSe have been reported. Owing to the quantum size effects (QSEs) in β-InSe, the band structures exhibit direct-to-indirect transitions from bulk β-InSe to few-layer β-InSe. The work functions decrease monotonically from 5.22 eV (1 L) to 5.0 eV (6 L) and then remain constant at 4.99 eV for 7 L and 8 L and drop down to 4.77 eV (bulk β-InSe). For optical properties, the imaginary part of the dielectric function has a strong dependence on the thickness variation. Layer control in two-dimensional layered materials provides an effective strategy to modulate the layer-dependent properties which have potential applications in the next-generation high performance electronic and optoelectronic devices.
关键词： optical properties,Layer-dependent,density functional theory,Indium Selenide,work function
更新于2025-09-23 15:22:29
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Prevent hydrogen damage in α-Cr2O3/α-Fe2O3 (0?0?0?1) interface
摘要： By means of first-principles calculations based on the density-functional theory, we investigate the vacancy trappings prevent hydrogen damage in two dimension α-Cr2O3/α-Fe2O3 (0 0 0 1) interface structure. Our calculations show that H atoms prefer to occupy the unoccupied O atoms octahedral interstitial site (Osite) in the center of the interface structure without vacancy defect, weakening the cleavage strength of Fe and O atoms and decreasing the work function and stability of interface structure. To prevent hydrogen damage in this interface structure, we model three Fe, Cr and O vacancy defects in this interface structure, respectively. Fe and Cr vacancy defects with lower H binding energy and higher work function, are better hydrogen trappings compared to O vacancy. These results confirm the Fe and Cr vacancy defects are effective hydrogen trappings to prevent hydrogen damage for passive film of steel, which has significant practical implications.
关键词： Interface structure,Fe vacancy,Hydrogen trapping,Work function
更新于2025-09-23 15:22:29
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Cs adsorption on Bi2Se3
摘要： Bi2Se3 is a topological insulator whose unique properties result from topological surface states (TSS) in the band gap. The adsorption of Cs onto a Bi2Se3 surface is investigated by low energy ion scattering and work function measurements. Much of the deposited Cs quickly diffuses to the step edges forming one-dimensional chains of positively charged adatoms, along with some deposition on the terraces. The work function decreases until a coverage of 0.1 ML is reached, beyond which it increases slightly. The minimum in the work function is due to depolarization of the dipoles induced when the concentration of adatoms in the chains reaches a critical value. A slow diffusion of adsorbed Cs from the terraces to the step edges is also marked by changes in the neutralization of scattered Na+ and work function over time. The spatial distribution of the conductive charges in the TSS, which are primarily positioned between the first and second atomic layers, is confirmed by comparison of the neutralization of Na+ scattered from Bi and Se.
关键词： Topological insulators,Alkali adsorption,Work function,Low energy ion scattering
更新于2025-09-23 15:22:29
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Defect-associated adsorption of monoethanolamine on TiO2(1 1 0): An alternative way to control the work function of oxide electrode
摘要： Controlling defects is one of the basic strategies for tailoring electronic structure of materials, which has not been explored that much yet for organic-inorganic hybrid systems. In this study, we investigated the control of work function of oxide electrode by defect-associated adsorption of molecules at the single-molecule level by means of scanning tunneling microscopy and first principle calculations. The equilibrium adsorption configuration of monoethanolamine (MEA, HO(CH2)2NH2), an effective coating for lowering the work function of an oxide electrode, varies as a function of surface coverage at TiO2(1 1 0) surfaces. Our results showed that defects at the oxide surface and intermolecular interactions dominate the stable configuration of adsorbates as well as work function of the system. The dissociative adsorption at Ov was found to be more efficient at lowering the work function of TiO2(1 1 0) surface, suggesting that defect control can be used to improve the performance of organic-inorganic hybrid systems.
关键词： STM,Work function,DFT,TiO2(1 1 0),Defect,Monoethanolamine
更新于2025-09-23 15:21:21
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[IEEE 2018 31st International Vacuum Nanoelectronics Conference (IVNC) - Kyoto, Japan (2018.7.9-2018.7.13)] 2018 31st International Vacuum Nanoelectronics Conference (IVNC) - Work Function Measurement of Er-Oxide/W(100) Surface by Using of Photoemission Electron Microscope and Field Emission Microscopy
摘要： A cathode material of a low work function is needed to achieve a high performance electron source. We measured the work function of W(100) surface modified with Er2O3 by using of photoemission electron microscope. The work function of Er-oxide/W(100) surface is measured to be 2.86eV. Field emission characteristics is measured with Er-oxide/W emitter and work function is estimated by N-F plots.
关键词： work function,W(100) surface,Erbium oxide,PEEM
更新于2025-09-23 15:21:21