A5038884290- Graphene research and applications
- 2D Materials and Applications
- Quantum and electron transport phenomena
- Topological Materials and Phenomena
- Perovskite Materials and Applications
- MXene and MAX Phase Materials
- Quantum Information and Cryptography
- Theoretical and Computational Physics
- Advancements in Battery Materials
- Surface and Thin Film Phenomena
- Chalcogenide Semiconductor Thin Films
- Plasmonic and Surface Plasmon Research
- Quantum many-body systems
- Quantum Mechanics and Applications
- Carbon Nanotubes in Composites
- Graphene and Nanomaterials Applications
- Advanced Condensed Matter Physics
- Spectroscopy and Quantum Chemical Studies
- Boron and Carbon Nanomaterials Research
- Electronic and Structural Properties of Oxides
- Fullerene Chemistry and Applications
- Quantum Computing Algorithms and Architecture
- Gold and Silver Nanoparticles Synthesis and Applications
- Ga2O3 and related materials
- Nanopore and Nanochannel Transport Studies
Wuhan University
2017-2025
Wuhan Institute of Technology
2022-2025
Beijing Computational Science Research Center
2017-2024
Wuchang University of Technology
2024
Soil and Fertilizer Institute of Hunan Province
2024
Radboud University Nijmegen
2014-2023
Radboud Institute for Molecular Life Sciences
2020
Radboud University Medical Center
2020
Peng Cheng Laboratory
2019
Computing Center
2019
We report a stoichiometric derivative of graphene with fluorine atom attached to each carbon. Raman, optical, structural, micromechanical and transport studies show that the material is qualitatively different from known graphene-based nonstoichiometric derivatives. Fluorographene high-quality insulator (resistivity >10^12 Ohm per square) an optical gap 3 eV. It inherits mechanical strength graphene, exhibiting Young's modulus 100 N/m sustaining strains 15%. inert stable up 400C even in air,...
While liquid exfoliation is a powerful technique to produce defect-free nanosheets in large quantities, its usefulness limited by broad nanosheet thickness distributions and low monolayer contents. Here we demonstrate processing techniques, based on iterative centrifugation cascades, which can be designed achieve either highly efficient size-selection and/or enrichment. The resultant size-selected dispersions were used establish quantitative metrics determine volume fraction, as well mean...
We develop a first-principles theory of resonant impurities in graphene and show that broad range typical realistic leads to the characteristic sublinear dependence conductivity on carrier concentration. By means density functional calculations various organic groups as well ad-atoms like H absorbed are shown create midgap states within +-0.03eV around neutrality point. A low energy tight-binding description is mapped out. Boltzmann transport numerically exact Kubo formula approach yield...
Liquid phase exfoliation is a powerful and scalable technique to produce defect-free mono- few-layer graphene. However, samples are typically polydisperse control over size thickness challenging. Notably, high throughput techniques measure lacking. In this work, we have measured the extinction, absorption, scattering Raman spectra for liquid exfoliated graphene nanosheets of various lateral sizes (90 ≤ 〈L〉 810 nm) thicknesses (2.7 〈N〉 10.4). We found all show well-defined dependences on...
We provide a tight-binding model parametrization for black phosphorus (BP) with an arbitrary number of layers. The is derived from partially self-consistent $G{W}_{0}$ approach, where the screened Coulomb interaction ${W}_{0}$ calculated within random phase approximation on basis density functional theory. thoroughly validate by performing series benchmark calculations, and determine limits its applicability. application to calculations electronic optical properties multilayer BP...
We present a detailed numerical study of the electronic properties single-layer graphene with resonant ("hydrogen") impurities and vacancies within framework noninteracting tight-binding model on honeycomb lattice. The algorithms are based solution time-dependent Schr\"{o}dinger equation applied to calculate density states, \textit{quasieigenstates}, AC DC conductivities large samples containing millions atoms. Our results give consistent picture evolution structure transport functionalized...
Electrons in artificial lattices enable explorations of the impact repulsive Coulomb interactions a tunable system. We have trapped two-dimensional electrons belonging to gallium arsenide quantum well nanofabricated lattice with honeycomb geometry. probe excitation spectrum magnetic field identifying novel collective modes that emerge from interaction as predicted by Mott-Hubbard model. These observations allow us determine Hubbard gap and suggest existence Coulomb-driven ground state. This...
We study the optical transmittance of multilayer graphene films up to 65 layers thick. By combing large-scale tight-binding simulation and measurement on CVD graphene, transmission through in visible region is found be solely determined by number layers. argue that more reliable determination than commonly used Raman Spectroscopy. Moreover, can applied also other 2D materials with weak van der Waals interlayer interaction.
Imperfections in the crystal structure, such as point defects, can strongly modify optical and transport properties of materials. Here, we study effect defects on dc conductivities single layers semiconducting transition metal dichalcogenides with form $M{S}_{2}$, where $M=\mathrm{Mo}$ or W. The electronic structure is considered within a six band tight-binding model, which accounts for relevant combination $d$ orbitals $M$ $p$ chalcogen S. We use Kubo formula calculation conductivity...
We study the electronic and optical properties of single- bilayer black phosphorus with short- long-range defects by using tight-binding propagation method. Both types defect states are localized induce a strong scattering conduction states, reducing significantly charge carrier mobility. In contrast to pristine samples, anisotropy defect-induced excitations is suppressed due isotropic nature defects. also investigate Landau level spectrum magneto-optical conductivity find that discrete...
We study the Landau level spectrum of ABA- and ABC-stacked trilayer graphene. derive analytic low energy expressions for spectrum, validity which is confirmed by comparison to a \pi -band tight-binding calculation density states on honeycomb lattice. further effect perpendicular electric field where zero-energy plateau appears ABC stacking order, due opening gap at Dirac point, while ABA-stacked graphene remains metallic. discuss our results in context recent electronic transport...
Control of impurity concentrations in semiconducting materials is essential to device technology. Because their intrinsic confinement, the properties two-dimensional semiconductors such as transition metal dichalcogenides (TMDs) are more sensitive defects than traditional bulk materials. The technological adoption TMDs dependent on mitigation deleterious and guided incorporation functional foreign atoms. first step toward control identification assessment electronic properties. Here, we...
We report first-principles calculations of electronic and mechanical properties few-layer borophene with the inclusion interlayer van der Waals (vdW) interaction. The anisotropic metallic behaviors are preserved from monolayer to structures. energy splitting bilayer at $\mathrm{\ensuremath{\Gamma}}$ point near Fermi level is about 1.7 eV, much larger than values (0.5--1 eV) other layered semiconductors, indicating stronger vdW interactions in borophene. In particular, critical strains...
A revised version of the massively parallel simulator a universal quantum computer, described in this journal eleven years ago, is used to benchmark various gate-based algorithms on some most powerful supercomputers that exist today. Adaptive encoding wave function reduces memory requirement by factor eight, making it possible simulate computers with up 48 qubits Sunway TaihuLight and K computer. The exhibits close-to-ideal weak-scaling behavior TaihuLight, an IBM Blue Gene/Q, Intel Xeon...
We performed calculations of electronic, optical, and transport properties graphene on hexagonal boron nitride with realistic moir\'e patterns. The latter are produced by structural relaxation using a fully atomistic model. This turns out to be crucially important for electronic properties. describe experimentally observed features such as additional Dirac points the ``Hofstadter butterfly'' structure energy levels in magnetic field. find that is sensitive many-body renormalization local gap.
Very recently, a new type of two-dimensional layered material MoSi2N4 has been fabricated, which is semiconducting with weak interlayer interaction, high strength, and excellent stability. We systematically investigate theoretically the effect vertical strain on electronic structure MA2Z4 (M=Ti/Cr/Mo, A=Si, Z=N/P) bilayers. Taking bilayer as an example, our first principle calculations show that its indirect band gap decreases monotonically compressive increases. Under critical around 22%,...
Abstract A properly strained graphene monolayer or bilayer is expected to harbour periodic pseudo-magnetic fields with high symmetry, yet date, a convincing demonstration of such has been lacking, especially for graphene. Here, we report definitive experimental proof the existence large-area, fields, as manifested by vortex lattices in commensurability moiré patterns low-angle twisted The are strong enough confine massive Dirac electrons into circularly localized pseudo-Landau levels,...
Recent progress in the design and fabrication of artificial two-dimensional (2D) materials paves way for experimental realization electron systems moving on complex geometries, such as plane fractals. In this work, we calculate quantum conductance a 2D gas roaming Sierpinski carpet (SC), i.e., fractal with Hausdorff dimension intermediate between 1 2. We find that fluctuations are function energy graph, whose can be chosen by changing geometry SC. This behavior is independent underlying...
The magnetic ground state of two-dimensional CrI<sub>3</sub> varies from ferromagnetic to antiferromagnetic under tensile strain.
The discovery of magnetism in ultrathin crystals opens up opportunities to explore new physics and develop next-generation spintronic devices. Nevertheless, two-dimensional magnetic semiconductors with Curie temperatures higher than room temperature have rarely been reported. Ferrites strongly correlated d-orbital electrons may be alternative candidates offering high-temperature ordering. This prospect is, however, hindered by their inherent three-dimensional bonded nature. Here, we a...
Twisted bilayer graphene (TBG) has taken the spotlight in condensed matter community since discovery of correlated phases at so-called magic angle. Interestingly, role a substrate on electronic properties TBG not been completely elucidated. Up to now, most theoretical works carried out order understand this effect have done using continuum models. In work, we gone one step ahead and studied heterostructures hBN an atomistic tight-binding model together with semi-classical molecular dynamics...
Graphite is one of the most chemically inert materials. Its elementary constituent, monolayer graphene, generally expected to inherit parent material's properties including chemical inertness. Here, we show that, unlike graphite, defect-free graphene exhibits a strong activity with respect splitting molecular hydrogen, which comparable that metallic and other known catalysts for this reaction. We attribute unexpected catalytic surface corrugations (nanoscale ripples), conclusion supported by...