A5100366192- 2D Materials and Applications
- Graphene research and applications
- MXene and MAX Phase Materials
- Perovskite Materials and Applications
- Topological Materials and Phenomena
- Medical Imaging Techniques and Applications
- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Electronic and Structural Properties of Oxides
- Quantum and electron transport phenomena
- Iron-based superconductors research
- Physics of Superconductivity and Magnetism
- Advancements in Battery Materials
- Gas Sensing Nanomaterials and Sensors
- Organic and Molecular Conductors Research
- Boron and Carbon Nanomaterials Research
- Advanced battery technologies research
- Molecular Junctions and Nanostructures
- Advanced X-ray and CT Imaging
- Analytical Chemistry and Sensors
- Catalytic Processes in Materials Science
- Photonic and Optical Devices
- Electrochemical Analysis and Applications
- Radiation Detection and Scintillator Technologies
- Electrocatalysts for Energy Conversion
Chongqing University
2025
Beihang University
2016-2025
Zhejiang University
2024-2025
Zhejiang University of Science and Technology
2012-2025
Huzhou University
2021-2024
Lund University
2022-2024
Stony Brook University
2024
Lanzhou University
2016-2024
Ningbo Product Quality Supervision and Inspection Institute
2024
Nankai University
2015-2023
In recent years, a new large family of two dimensional transition metal carbides, carbonitrides, and nitrides, so-called MXenes, have grabbed considerable attention, owing to their many fascinating physical chemical properties that are closely related the rich diversity elemental compositions surface terminations. particular, it is easy for MXenes form composites with other materials such as polymers, oxides, carbon nanotubes, which further provides an effective way tune various...
Graphene-like two-dimensional materials have garnered tremendous interest as emerging device for nanoelectronics due to their remarkable properties. However, applications in spintronics been limited by the lack of intrinsic magnetism. Here, using hybrid density functional theory, we predict ferromagnetic behavior a graphene-like Cr2C crystal that belongs MXenes family. The ferromagnetism, arising from itinerant Cr d electrons, introduces half-metallicity MXene, with half-metallic gap large...
Two-dimensional (2D) transition metal carbides/nitrides Mn+1Xn labeled as MXenes are attracting increasing interest due to promising applications Li-ion battery anodes and hybrid electro-chemical capacitors. To realize devices in future flexible practical applications, it is necessary have a full understanding of the mechanical properties under deformation. In this study, we extensively investigated stress-strain curves deformation mechanisms response tensile stress by first principles...
We propose new two-dimensional (2D) topological insulators (TIs) in functionalized germanenes (GeX, X=H, F, Cl, Br or I) using first-principles calculations. find GeI is a 2D TI with bulk gap of about 0.3 eV, while GeH, GeF, GeCl and GeBr can be transformed into TIs sizeable gaps under achievable tensile strains. A unique mechanism revealed to responsible for large topologically-nontrivial obtained: owing the functionalization, $\sigma$ orbitals stronger spin-orbit coupling (SOC) dominate...
Graphene has exhibited a wealth of fascinating properties, but is also known not to be superconductor. Remarkably, we show that graphene can made conventional Bardeen-Cooper-Schrieffer superconductor by the combined effect charge doping and tensile strain. While obviously enlarges Fermi surface, strain profoundly increases electron-phonon coupling. At experimental accessible ($\ensuremath{\sim}4\ifmmode\times\else\texttimes\fi{}{10}^{14}\text{ }\text{ }{\mathrm{cm}}^{\ensuremath{-}2}$)...
MXenes are a large family of two-dimensional (2D) early transition metal carbides that have shown great potential for host applications ranging from electrodes in supercapacitors and batteries to sensors reinforcements polymers. Here, on the basis first-principles calculations, we predict Mo2MC2O2 (M = Ti, Zr, or Hf), belonging recently discovered new class with double elements an ordered structure, robust quantum spin Hall (QSH) insulators. A tight-binding (TB) model based dz2-, dxy-,...
Two-dimensional (2D) materials have attracted considerable interest due to their remarkable properties and potential applications for nanoelectronics, electrodes, energy storage devices, among others. However, many well-studied 2D lack appreciable conductivity tunable mechanical strength, limiting in flexible devices. Newly developed MXenes open up the opportunity design novel conductive electronic materials. Here, using density functional theory (DFT), we investigate systematically effects...
Recently, charge-density wave (CDW) and superconductivity are observed to coexist in atomically thin metallic NbSe2. Lacking of knowledge on the structural details CDW, however, prevents us explore its interplay with superconductivity. Using first-principles calculations, we identify ground state 3 × CDW atomic structure monolayer NbSe2, which is characterized by formation triangular Nb clusters shows a scanning tunnelling microscopy (STM) image Raman modes good agreement experiments. We...
We present a straightforward method to double the refractive index sensitivity of surface-supported nanoplasmonic optical sensors by lifting metal nanoparticles above substrate dielectric nanopillar. The role pillar is substantially decrease spatial overlap between and enhanced fields generated at plasmon resonance. Data presented for nanodisks nanoellipsoids supported pillars varying heights are found be in excellent agreement with electrodynamics simulations. described concepts apply...
Graphene is known as the strongest 2D material in nature, yet we show that moderate charge doping of either electrons or holes can further enhance its ideal strength by up to ~17%, based on first principles calculations. This unusual electronic enhancement, versus conventional structural material's achieved an intriguing physical mechanism counteracting strain induced enhancement Kohn anomaly, which leads overall stiffening zone boundary K1 phonon mode whose softening under responsible for...
The discoveries of graphene and other related two-dimensional crystals have recently led to a new technology: van der Waals (vdW) heterostructures based on these atomically thin materials. Such paradigm has been proved promising for wide range applications from nanoelectronics optoelectronics spintronics. Here, using first-principles calculations, we investigate the electronic structure interface characteristics newly synthesized GaSe/graphene (GaSe/g) vdW heterostructure. We show that...
We present a density functional theory study of 3d transition-metal (TM) atoms (Sc–Zn) adsorbed on phosphorene sheet. show that due to the existence lone pair electrons P in phosphorene, all TM atoms, except closed-shell Zn atom, can bond strongly with sizable binding energies. Moreover, TM@phosphorene systems for from Sc Co exhibit interesting magnetic properties, which arise exchange splitting orbitals. also find strain is an effective way control magnetism by tuning interaction and, thus,...
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...
Conventional thermoelectric generators (TEGs) are normally hard, rigid, and flat. However, most objects have curvy surfaces, which require soft even stretchable TEGs for maximizing efficiency of thermal energy harvesting. Here, using conventional rigid Bi2Te3 pellets metallized with a liquid alloy is reported. The fabrication implemented by means tailored layer-by-layer process. STEGs exhibit an output power density 40.6 μW/cm2 at room temperature. operational after being mechanically...
Fluorescent dithienylethene-based photochromic materials have been attracting considerable attention owing to their wide applications in biological and sciences. However, the limitations of detrimental UV irradiation for photocyclization, short emission lifetime, inefficient photoresponsive speed still need be addressed. Herein, a novel dithienylethene molecule, BFBDTE, has prepared by incorporation difluoroboron β-diketonate (BF2bdk) unit. The strong electron acceptor BF2bdk not only...
Lateral junctions composed of quantum many-body materials are highly desirable for realizing physical phenomena and device concepts. However, controllable fabrication high-quality is challenging, which greatly hinders further exploration. Here, we successfully realize monolayer heterophase homojunctions metallic H-NbSe2 correlated insulating T-NbSe2 with atomically sharp boundaries via nanoscale polymorph engineering. By applying a scanning tunneling microscopy (STM) tip pulse, can be...
Among the known transition metal dichalcogenides, monolayer ${\mathrm{VS}}_{2}$ has attracted particular attention because of its intrinsic ferromagnetism and great application potential as a high-performance functional nanomaterial. Here, using first-principles calculations, we study structural electronic phase transitions in induced by charge doping. We show that without electron or hole doping, stabilizes 2H is bipolar magnetic semiconductor (BMS) whose valence conduction states near...
A new static synchronous compensator (STATCOM) based on the diode-clamped modular multilevel converter (DCM <sup xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">2</sup> C) is proposed in this paper. In topology, capacitor voltage clamped by using a low power rating diode each submodule. The quantity of sensors significantly reduced and free from number levels. Furthermore, balancing control method becomes very simple balance speed fast. Based...