A5100332559- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Advanced Thermoelectric Materials and Devices
- Thermal properties of materials
- Phase-change materials and chalcogenides
- Chalcogenide Semiconductor Thin Films
- Graphene research and applications
- Catalytic Processes in Materials Science
- Transition Metal Oxide Nanomaterials
- High-Temperature Coating Behaviors
- Machine Learning in Materials Science
- Electrocatalysts for Energy Conversion
- Thermal Radiation and Cooling Technologies
- 2D Materials and Applications
- Spectroscopy and Quantum Chemical Studies
- Topological Materials and Phenomena
- Electronic Packaging and Soldering Technologies
- Advancements in Semiconductor Devices and Circuit Design
- Acoustic Wave Resonator Technologies
- Catalysis and Oxidation Reactions
- Boron and Carbon Nanomaterials Research
- ZnO doping and properties
- Nonlinear Optical Materials Studies
- Heusler alloys: electronic and magnetic properties
- Molecular spectroscopy and chirality
Jiangnan University
2023-2025
Donghua University
2024
Beihang University
2010-2024
University of Warwick
2020-2024
Minzu University of China
2024
Guilin University of Technology
2022
Northwestern Polytechnical University
2021
Shenyang Pharmaceutical University
2018
Xi'an Jiaotong University
2015
University of Akron
2015
Sb2Te3 exhibits outstanding performance among the candidate materials for phase-change memory; nevertheless, its low electrical resistivity and thermal stability hinder practical application. Hence, numerous studies have been carried out to search suitable dopants improve performance; however, explored always cause phase separation thus drastically reduce reliability of memory. In this work, on basis ab initio calculations, we identified yttrium (Y) as an optimal dopant Sb2Te3, which...
The disadvantages of high power consumption and slow operating speed hinder the application phase-change materials (PCMs) for a universal memory. In this work, based on rigorous experimental scheme, we synthesized series YxSb2-xTe3 (0 ≤ x 0.333) PCMs demonstrated that Y0.25Sb1.75Te3 (YST) is an excellent candidate material This YST PCM, even being integrated into conventional T-shaped device, exhibits ultralow reset 1.3 pJ competitive fast set 6 ns. attributed to Y-reduced thermal electrical...
Abstract The design of highly efficient and stable electrocatalysts in hydrogen evolution reaction over a wide range pH, especially neutral or alkaline conditions, is great significance but remains· challenging. Herein, family single‐atoms clusters inside the N‐doped porous carbon matrix (NDPCM) are encapsulated. Specifically, single‐atom platinum (Pt SA ) cluster C NDPCM exhibited ultralow overpotentials 20 14 mV at −10 mA cm −2 under respectively superior long‐term durability. Theoretical...
Abstract We present an efficient method for accurately computing electronic scattering rates and transport properties in materials with complex band structures. Using ab initio simulations, we calculate a limited number of electron–phonon matrix elements, extract acoustic optical processes based on deformation potential theory. Polar phonon are determined using the Fröhlich model, ionized impurity derived from Brooks-Herring Subsequently, coefficients computed within Boltzmann exemplify our...
We present a first-principles framework to extract deformation potentials in Silicon based on density-functional theory (DFT) and perturbation (DFPT). compute the electronic band structures, phonon dispersion relations, electron-phonon matrix elements for acoustic optical phonons all possible processes. The clearly show separation between intra- inter-valley scattering conduction band, quantify strength of events degenerate bands valence band. then use an advanced numerical Boltzmann...
Abstract Inspired by the remarkable performance of SnSe‐based compounds in thermoelectrics, a strontium‐tin‐selenium (SrSnSe 2 ) compound is theoretically designed, observing anisotropic Rashba spin‐orbital splitting and strong four‐phonon scattering behavior. Through comprehensive analyses elastic constants, phonon dispersion, ab initio molecular dynamics calculations, mechanical, dynamic, thermal stability SrSnSe demonstrated. Electronic calculations reveal that band decomposed into two...
Heterogeneous ice nucleation is a widespread phenomenon in nature. Despite extensive research on near biological antifreeze proteins, probe for and growth processes at the atomic level still lacking. Herein, we present simulation evidence of heterogeneous process ice-binding surface (IBS) Tenebrio molitor protein (TmAFP). Our all-atomistic molecular dynamics simulations reveal detailed steps toward precritical nucleus formation from one-dimensional (1D) channel water to 2D nanolayer and,...
The chain-folding mechanism and structure of semicrystalline polymers have long been controversial. Solid-state NMR was applied to determine the chain trajectory (13)C CH3-labeled isotactic poly(1-butene) (iPB1) in form III chiral single crystals blended with nonlabeled iPB1 crystallized dilute solutions under low supercooling. An advanced (13)C-(13)C double-quantum technique probing spatial proximity pattern labeled nuclei revealed that chains adopt a three-dimensional (3D) conformation...
2D magnetic semiconductors are intriguing for their great potential applications in spintronic nanodevices. Despite intensive research decades, intrinsically Janus scarce, and design guidelines remain elusive. Herein we propose new Cr2O2XY (X = Cl, Y Br/I) ferromagnets with asymmetric out-of-plane structural configurations from ab initio calculations. Abnormally, crystals Pmm2 structures derived pristine CrOX compounds dynamically metastable. By introducing novel phase transitions, generated...
Thermal conductivity (κ) is one of the fundamental properties materials for phase change memory (PCM) application, as set/reset processes strongly depend upon heat dissipation and transport. The κ in both amorphous crystalline phases should be quite small, because it determines how energy-efficient PCM device during programming. At a high temperature, electronic thermal (κe) always notable semiconductors, which still lacking antimony telluride under doping literature far we know. In this...
Low band gap thermoelectric materials suffer from bipolar effects at high temperatures, with increased electronic thermal conductivity and reduced Seebeck coefficient, leading to power factor low ZT figure of merit. In this work we show that the presence strong transport asymmetries between conduction valence bands can allow phonon-limited finite coefficient values, largely enhanced factors. The factors be achieved significantly larger compared their maximum unipolar counterparts, allowing...
High thermal stability, fast operation speed, low thickness variation, and resistance drift of phase-change nanomaterials are the essential characteristics in memory (PCM) applications. In this work, we put forward a graphite carbon-doped Sb2Te (C-Sb2Te) chalcogenide with semiconductor process compatibility. Our results prove that proposed C-Sb2Te has excellent stability high speed. More importantly, change only 0.89% 0.0149, respectively. The C-Sb2Te-based device exhibits switching speed to...
Mobility is a key parameter for SnO2, which extensively studied as practical transparent oxide n-type semiconductor. In experiments, the mobility of electrons in bulk SnO2 single crystals varies from 70 to 260 cm2V−1s−1 at room temperature. Here, we calculate limited by electron–phonon and ionized impurity scattering coupling Boltzmann transport equation with density functional theory electronic structures. The linearized solved numerically beyond commonly employed constant relaxation-time...
With extensive first-principles density-functional-theory calculations, we investigate the stability and atomic electronic structures of CrB2(0001) MoB2(0001) surfaces, each with two different terminations. It is found that boron-terminated surface energetically more favorable over wide range thermodynamically allowed chemical potentials than metal-terminated for both MoB2(0001), suggesting a stable layer graphene-like boron on surfaces. Our results also show similarities differences in...
Oxygen in GeTe induces the formation of defect clusters crystallization process amorphous state, which slows down speed and improves data retention phase change material GeTe.