A5101703689- Semiconductor materials and devices
- 2D Materials and Applications
- Semiconductor materials and interfaces
- MXene and MAX Phase Materials
- ZnO doping and properties
- Advancements in Battery Materials
- Graphene research and applications
- Advanced Battery Materials and Technologies
- Ga2O3 and related materials
- Supercapacitor Materials and Fabrication
- Electronic and Structural Properties of Oxides
- GaN-based semiconductor devices and materials
- Electron and X-Ray Spectroscopy Techniques
- Advancements in Semiconductor Devices and Circuit Design
- Copper Interconnects and Reliability
- Electrocatalysts for Energy Conversion
- Molecular Junctions and Nanostructures
- Copper-based nanomaterials and applications
- Advanced Photocatalysis Techniques
- Integrated Circuits and Semiconductor Failure Analysis
- Inorganic Chemistry and Materials
- Semiconductor Quantum Structures and Devices
- Quantum Dots Synthesis And Properties
- Thermal properties of materials
- Titanium Alloys Microstructure and Properties
Nankai University
2016-2025
China Southern Power Grid (China)
2024
Lanzhou University of Technology
2020-2022
National Institute of Clean and Low-Carbon Energy
2021-2022
Nantong University
2022
University of Maryland, College Park
2022
The University of Texas at Dallas
2011-2019
Shandong Jianzhu University
2019
Hangzhou Normal University
2013
The effect of room temperature ultraviolet-ozone (UV-O3) exposure MoS2 on the uniformity subsequent atomic layer deposition Al2O3 is investigated. It found that a UV-O3 pre-treatment removes adsorbed carbon contamination from surface and also functionalizes through formation weak sulfur-oxygen bond without any evidence molybdenum-sulfur disruption. This supported by first principles density functional theory calculations which show oxygen bonded to sulfur atom while simultaneously...
The contact resistance of metal-graphene junctions has been actively explored and exhibited inconsistencies in reported values. interpretation these electrical data based exclusively on a side-contact model, that is, metal slabs sitting pristine graphene sheet. Using situ X-ray photoelectron spectroscopy to study the wetting metals as-synthesized copper foil, we show is sometimes misleading picture. For instance, like Pd Ti readily react with graphitic carbons, resulting Pd- Ti-carbides....
Layered Li-rich 3d-transition-metal cathode materials, xLi2MnO3·(1–x)LiMO2, have increasingly triggered immense interest for their use in Li-ion batteries due to advantages terms of energy density. Nevertheless, poor cycle and rate performances cause limitations practical commercial applications. We modified the material with boron bulk doping carbon surface modification form a B-doped layered@spinel@carbon heterostructure. Herein, B-doping can increase lattice spacing favorable Li+...
With systematic first principles calculations, a class of monolayer metal halogenides MX2 (M = Mg, Ca, Zn, Cd, Ge, Pb; M Cl, Br, I) has been proposed. Our study indicates that these materials are semiconductors with the band gaps ranging from 2.03 eV ZnI2 to 6.08 MgCl2. Overall, gap increases increase electronegativity X atom or atomic number M. Meanwhile, MgX2 (X Br) direct while those other monolayers indirect. Based on edge curvatures, derived electron (me) and hole (mh) effective masses...
In situ X-ray photoelectron spectroscopy and low energy electron diffraction are performed to study the formation of a crystalline oxide on AlGaN surface. The oxidation surface is prepared by annealing remote N2 + O2 plasma pretreatments resulting in stable oxide. impact interface state density studied capacitance voltage (C-V) measurements. It found that exposure at 550 °C shows smallest frequency dispersion. Crystalline may provide novel passivation method for high quality AlGaN/GaN devices.
The use of an interfacial passivation layer is one important strategy for achieving a high quality interface between high-k and III-V materials integrated into high-mobility metal-oxide-semiconductor field-effect transistor (MOSFET) devices. Here, we propose gallium nitride (GaN) as the hafnium oxide (HfO2). Utilizing first-principles calculations, explore structural electronic properties GaN/HfO2 with respect to oxygen contents. In O-rich condition, O8 (eight atoms at interface,...
MoS2, as a model transition metal dichalcogenide, is viewed potential channel material in future nanoelectronic and optoelectronic devices. Minimizing the contact resistance of metal/MoS2 junction critical to realizing MoS2-based In this work, Schottky barrier height (SBH) band structure high work function Pd on MoS2 have been studied by situ X-ray photoelectron spectroscopy (XPS). The analytical spot diameter XPS spectrometer about 400 μm, signal proportional detection area, so influence...
Exploiting two-dimensional (2D) metallic electrodes with high energy density and fast rate performance is crucial in rechargeable ion batteries. Herein, the electronic properties of 2D monolayer Ta2CS2 its potential as electrode candidate Li+, Na+, K+, Ca2+ batteries have been examined by utilizing first-principles calculations. The exfoliation feasible owing to small cleavage 0.64 J/m2 thermodynamical stability. Ta2CS2–metal atom complexes are energetically favorable through examining...
The selective catalytic reduction deNOx technology by ammonia (NH3-SCR) on vanadium-based catalysts is now being used worldwide for industrial exhaust treatment, while the disposal of spent faces a high level environmental risk posed poisonous vanadium. We present here an environmentally friendly method with pure H-FER zeolite as catalyst using methanol reductant instead NH3 (CH3OH-SCR). This metal-free Brønsted and Lewis acid pairs shows almost 4 times higher activity than most investigated...
Exploring point defects in FAPbI3 and their passivation strategies is essential for optimizing the stability optoelectronic properties of perovskite solar cells. In this work, possible defect complexes with PbI2-terminated FAI-terminated structures have been explored using first-principles calculations. The results indicated that some were more stable than corresponding individual defects, including VFA + VPb VI, PbFA VPb, etc., structure, which induced obvious states within band gap. Then,...
A dielectric material with a higher permittivity and lower leakage is required to meet the demands of three-dimensional (3D) dynamic random access memory (DRAM). Current morphotropic phase boundary (MPB) behavior exhibits but relatively high leakage. In this work, we propose feasible approach achieve MPB low by charge balance effect in doped HfO2-ZrO2 superlattice system. Our first-principles calculations reveal that synergy doping oxygen vacancies can transition barriers between polar...
Complementary field-effect transistor technology enhances integration density and reduces power consumption by vertically stacking n-MOS p-MOS transistors. However, the three-dimensional (3D) architecture poses challenges in threshold voltage control when depositing metal with distinct work function (WF) for gates. Using first-principles calculations, we explore wide-range WF modulation (3.20–5.25 eV) of defective TiN widely used industry 3D integration, enabling its application both n-...
The metal–semiconductor contact resistivity has become a severe challenge for three-dimensional (3D) integration. In this work, starting from the physical origin, we propose that charge redistribution is an effective strategy decreasing Schottky barrier height (SBH), subsequently leading to reduction in resistivity. Guided by perspective, first-principles calculations are utilized investigate effect of series metal dopants on SBH NiSi/Si system. ΦBe values can be reduced 0.27, 0.28, and 0.22...
Although LiMPO4 (M = Fe, Mn) cathode materials have been widely applied in electric vehicles owing to the advantages of excellent safety, cycle stability, and low cost, poor electronic conductivity severely limits further expansion its field. Herein, LiFe0.8Mn0.2PO4 composite with boron/phosphorus dual-doped carbon coating (LFMP@B/P–C) was fabricated by a sol–gel hydrothermal method. As result, LFMP@B/P–C exhibits superior rate performance (97.1 mAh g–1 at 20 C) preferable low-temperature...
Indium (In) out-diffusion through high-k oxides severely undermines the thermal reliability of next generation device III-V/high-k based metal oxide semiconductor (MOS). To date, microscopic mechanism In diffusion is not yet fully understood. Here, we utilize angle resolved X-ray photoelectron spectroscopy (ARXPS) and density functional theory (DFT) to explore in HfO2. Our ARXPS results confirm as-prepared annealed HfO2 grown on InP substrate. The theoretical show that barrier reduced ∼0.88...
The passivation of the InSb semiconductor surface and related alloys is interest due to their small bandgaps high bulk mobilities, which make them favorable materials for use in quantum-well transistors long wavelength optoelectronic devices. One most common approaches an ammonium sulfide ((NH4)2S) treatment; however, there are variations reported processing conditions this procedure. This study represents a broad review different sulfur treatment parameters used as well determining optimal...
An in situ half-cycle atomic layer deposition/X-ray photoelectron spectroscopy (XPS) study was conducted order to investigate the evolution of HfO2 dielectric interface with GaSb(100) surfaces after sulfur passivation and HCl etching, designed remove native oxides. With first pulses tetrakis(dimethylamido)hafnium(IV) water, a decrease concentration antimony oxide states present on HCl-etched surface is observed, while diminished below XPS detection limit passivated surface. increase amount...
A theoretical study of the oxidation InP(001)-(2 × 4) surface is performed using density functional theory methods. Our results on show that oxygen adsorption does not produce any gap states in bulk InP band gap, due to saturation In dangling bonds, whereas substitutional atoms states. This also shows stability increases with content, indicating a strong tendency for oxidation. help clarify origin upon and provide an insight at atomic level mechanism oxidation, which will assist...
Using ab-initio methods, atomic structures and electronic properties of InP (001)/HfO2 (001) interface are studied within the framework density functional theory. We examine InP/HfO2 model under varying oxidation conditions. The effects indium phosphorous concentrations on interfacial bonding, defect states, band offsets, thermodynamic stability at also investigated. origin gap states in proposed, mainly from P-rich oxides, which is validated by our experimental work. This highlights...
β-Ga2O3 based Schottky barrier diodes (SBDs) with low temperature O2 gas annealing pretreatment is investigated. Improved electrical performance and uniformity are seen, which expected that oxygen vacancies at the surface passivated height (SBH) lowered upon this pretreatment. The mechanism interrogated by x-ray photoelectron spectroscope (XPS) measurements first-principles modeling. SBH lowering consistent change in interface dipole W/Ga2O3 interface, as evidenced XPS results. first...
Understanding of GaN interfacing with GaAs is crucial for to be an effective interfacial layer between high-k oxides and III-V materials the application in high-mobility metal-oxide-semiconductor field effect transistor (MOSFET) devices. Utilizing first principles calculations, here, we investigate structural electronic properties GaN/GaAs interface respect nitrogen contents. The decrease N contents leads more Ga dangling bonds As-As dimers. At N-rich limit, concentration 87.5% shows most...
X-ray photoelectron spectroscopy (XPS) is one of the most used methods in a diverse field materials science and engineering. The elemental core-level binding energies (BE) shifts (CLS) are determined interpreted XPS. Oxidation commonly considered to increase BE core electrons metal semiconductor elements (i.e., positive shift due O bonds), because valence electron charge density moves toward electronegative atoms intuitive charge-transfer model. Here we demonstrate that this hypothesis not...