Two-dimensional transition metal dichalcogenides under electron irradiation: defect production and doping

Abstract

Using first-principles atomistic simulations, we study the response of atomically-thin layers of transition metal dichalcogenides (TMDs) - a new class of two-dimensional inorganic materials with unique electronic properties - to electron irradiation. We calculate displacement threshold energies for atoms in 21 different compounds and estimate the corresponding electron energies required to produce defects. For a representative structure of MoS2, we carry out high-resolution transmission electron microscopy experiments and validate our theoretical predictions via observations of vacancy formation under exposure to a 80 keV electron beam. We further show that TMDs can be doped by filling the vacancies created by the electron beam with impurity atoms. Thereby, our results not only shed light on the radiation response of a system with reduced dimensionality, but also suggest new ways for engineering the electronic structure of TMDs.

References in corpus (7)

• Electric Field Effect in Atomically Thin Carbon Films
• Atomically thin MoS2: A new direct-gap semiconductor
• Two Dimensional Atomic Crystals
• Single-Layer MoS2 Phototransistors
• Elastic properties of freely suspended MoS2 nanosheets
• Designing electrical contacts to MoS${}_2$ monolayers: A computational study
• An accurate measurement of electron beam induced displacement cross sections for single-layer graphene

Cited by in corpus (128)

• Grains and grain boundaries in highly crystalline monolayer molybdenum disulfide
• Hopping Transport through Defect-induced Localized States in Molybdenum Disulfide
• Towards Intrinsic Charge Transport in Monolayer Molybdenum Disulfide by Defect and Interface Engineering
• Ultrafast Dynamics of Defect-Assisted Electron-Hole Recombination in Monolayer MoS2
• Ab-initio study on the possible doping strategies for MoS${}_2$ monolayers
• Charge transport and mobility engineering in two-dimensional transition metal chalcogenide semiconductors
• Anomalous Raman Spectra and Thickness Dependent Electronic properties of WSe2
• Electronic structures and optical properties of realistic transition metal dichalcogenide heterostructures from first principles
• Spontaneous doping of the basal plane of MoS2 single-layers through oxygen substitution under ambient conditions
• Identifying substitutional oxygen as a prolific point defect in monolayer transition metal dichalcogenides with experiment and theory
• Chemically-exfoliated single-layer MoS${}_2$ : stability, lattice dynamics and catalytic adsorption from first principles
• Control of Radiation Damage in MoS2 by Graphene Encapsulation
• Chemically Tailoring Semiconducting Two-Dimensional Transition Metal Dichalcogenides and Black Phosphorus
• Defect in Phosphorene
• Pressure induced metallization with absence of structural transition in layered MoSe2
• Magnetism in MoS2 induced by MeV proton irradiation
• Atomistic defect states as quantum emitters in monolayer MoS${}_2$
• Large spin-orbit splitting of deep in-gap defect states of engineered sulfur vacancies in monolayer WS2
• Surface Recombination Limited Lifetimes of Photoexcited Carriers in Few-Layer Transition Metal Dichalcogenide MoS2
• Ultrafast Response of Monolayer Molybdenum Disulfide (MoS2) Photodetectors
• Manipulating low-dimensional materials down to the level of single atoms with electron irradiation
• Microsecond Valley Lifetime of Defect-Bound Excitons in Monolayer WSe${}_2$
• Radiation tolerance of two-dimensional material-based devices for space applications
• The pristine atomic structure of MoS2 monolayer protected from electron radiation damage by graphene
• Direct exciton emission from atomically thin transition metal dichalcogenide heterostructures near the lifetime limit
• Defect-induced conductivity anisotropy in MoS2 monolayers
• Uncovering the Effects of Metal Contacts on Monolayer MoS2
• Graphene and MoS2 interacting with water: a comparison by ab initio calculations
• How Substitutional Point Defects in Two-Dimensional WS${}_2$ Induce Charge Localization, Spin-Orbit Splitting, and Strain
• Line Defects in Molybdenum Disulfide Layers
• Quantifying transmission electron microscopy irradiation effects using two-dimensional materials
• Effect of Point Defects on the Optical and Transport Properties of MoS2 and WS2
• Pressure-Tunable Ambipolar Conduction and Hysteresis in Ultrathin Palladium Diselenide Field Effect Transistors
• Imaging Atomic-Level Random Walk of a Point Defect in Graphene
• Strain-induced magnetism in MoS2 monolayer with defects
• Assembling Di- and Multiatomic Si Clusters in Graphene via Electron Beam Manipulation
• Uncovering edge states and electrical inhomogeneity in MoS2 field-effect transistors
• Accessing high optical quality of MoS2 monolayers grown by chemical vapor deposition
• The bright side of defects in MoS${}_2$ and WS${}_2$ and a generalizable chemical treatment protocol for defect passivation
• Intrinsic and Extrinsic Defect-related Excitons in TMDCs
• Designing Artificial Two-Dimensional Landscapes via Room-Temperature Atomic-Layer Substitution
• Giant spin-orbit splitting of point defect states in monolayer WS${}_2$
• Towards atomically precise manipulation of 2D nanostructures in the electron microscope
• Radiation Hardness of Graphene and MoS2 Field Effect Devices Against Swift Heavy Ion Irradiation
• Fast Exciton Annihilation by Capture of Electrons or Holes by Defects via Auger Scattering in Monolayer Metal Dichalcogenides
• Quantum Spin Hall Effect in 2D Transition Metal Dichalcogenide Haeckelites
• Large Family of Two-Dimensional Ferroelectric Metals Discovered via Machine Learning
• Ballistic performance comparison of monolayer transition metal dichalcogenide MX2 (M = Mo, W; X = S, Se, Te) MOSFETs
• Electronic and Optical Properties of Vacancy Defects in Transition Metal Dichalcogenides
• Transition Metal and Vacancy Defect Complexes in Phosphorene: A Spintronic Perspective
• Robust valley polarization of helium ion modified atomically thin MoS${}_2$
• Effect of Electron Irradiation on the Transport and Field Emission Properties of Few-Layer MoS2 Field Effect Transistors
• High conduction hopping behavior induced in transition metal dichalcogenides by percolating defect networks: toward atomically thin circuits
• Atomistic simulation of the electronic states of adatoms in monolayer MoS2
• Defect Sizing, Separation and Substrate Effects in Ion-Irradiated Monolayer 2D Materials
• Valley Trion Dynamics in Monolayer MoSe${}_2$
• Point defects in the 1$T^{\prime }$ and 2$H$ phases of single-layer MoS${}_2$: A comparative first-principles study
• Atomic-scale imaging of few-layer black phosphorus and its reconstructed edge
• Materials Structure, Properties and Dynamics through Scanning Transmission Electron Microscopy
• Effects of Defect on Work Function and Energy Alignment of PbI2: Implications for Solar Cell Applications
• Perforating freestanding molybdenum disulfide monolayers with highly charged ions
• Development of a Transferable Reactive Force Field of P/H Systems: Application to the Chemical and Mechanical Properties of Phosphorene
• Defect-induced large spin-orbit splitting in the monolayer of PtSe${}_2$
• Rippling, buckling and melting of single- and multi-layer MoS${}_2$
• Stability of charged sulfur vacancies in 2D and bulk MoS${}_2$ from plane-wave density functional theory with electrostatic corrections
• Illuminating Invisible Grain Boundaries in Coalesced Single-Orientation WS2 Monolayer Films
• Donor and Acceptor Levels in Semiconducting Transition Metal Dichalcogenides
• Spin-defect characteristics of single sulfur vacancies in monolayer ${\text{MoS}}_2$
• An Inside Look at the Ti-MoS2 Contact in Ultra-thin Field Effect Transistor with Atomic Resolution
• Electron irradiation on multilayer PdSe${}_2$ field effect transistors
• Family of Two Dimensional Transition Metal Dichlorides Fundamental Properties, Structural Defects, and Environmental Stability
• Grain boundary-mediated nanopores in molybdenum disulfide grown by chemical vapor deposition
• Electron Transport and Thermoelectric Performance of Defected Monolayer MoS2
• Enhanced trion emission in monolayer MoSe2 by constructing a type-I van der Waals heterostructure
• Mechanisms of Resistive Switching in 2D Monolayer and Multilayer Materials
• Controlled defect production in monolayer MoS2 via electron irradiation at ultralow accelerating voltages
• Two-dimensional Kagome Materials: Theoretical Insights, Experimental Realizations, and Electronic Structures
• Gate-modulated conductance of few-layer WSe_2 field-effect transistors in the subgap regime: Schottky barrier transistor and subgap impurity states
• Interlayer Charge Transfer and Defect Creation in Type I van der Waals Heterostructures
• Point Defects in Two-Dimensional γ-Phosphorus Carbide
• Dynamics of Symmetry-Breaking Stacking Boundaries in Bilayer MoS2
• The Role of Mobile Point Defects in Two-Dimensional Memristive Devices
• Combined electronic excitation and knock-on damage in monolayer MoS2
• Charged exciton kinetics in monolayer MoSe${}_2$ near ferroelectric domain walls in periodically poled LiNbO${}_3$
• Influence of temperature on the displacement threshold energy in graphene
• Effect of atomic-scale defects and dopants on phosphorene electronic structure and quantum transport properties
• Extrinsic localized excitons in patterned 2D semiconductors
• Novel 2D vanadium sulphides: synthesis, atomic structure engineering and charge density waves
• Vacancies and dopants in two-dimensional tin monoxide: An ab initio study
• Direct Optical-Structure Correlation in Atomically Thin Dichalcogenides and Heterostructures
• Atomistic $T$-matrix theory of disordered 2D materials: Bound states, spectral properties, quasiparticle scattering, and transport
• Experimental detection of active defects in few layers MoS2 through random telegraphic signals analysis observed in its FET characteristics
• Single-layer $1T^{\prime }$-MoS${}_2$ under electron irradiation from $ab$ $initio$ molecular dynamics
• Defect engineering in two-dimensional pentagonal PdTe${}_2$: Tuning electronic, optical, and magnetic properties
• Investigation of laser-induced-metal phase of ${\mathrm{MoTe}}_2$ and its contact property via scanning gate microscopy
• Confined Electrons in Effective Plane Fractals
• Electrical Stressing Induced Monolayer Vacancy Island Growth on TiSe2
• Stability, efficiency, and mechanism of n-type doping by hydrogen adatoms in two-dimensional transition metal dichalcogenides
• On the switching mechanism and optimisation of ion irradiation enabled 2D $Mo{S}_2$ memristors
• Probing defect states in few-layer MoS${}_2$ by conductance fluctuation spectroscopy
• First principles study of stability of MXenes under electron beam
• At the verge of topology: vacancy-driven quantum spin Hall in trivial insulators
• The dynamics of copper intercalated molybdenum ditelluride
• Direct visualization of defect-controlled diffusion in van der Waals gaps
• Defects, band bending and ionization rings in MoS2
• Defect complexes in CrSBr revealed through electron microscopy and deep learning
• Effect of electron-irradiation on layered quantum materials
• Electron-beam induced emergence of mesoscopic ordering in layered MnPS${}_3$
• Hydrogenic Spin-Valley states of the Bromine donor in 2H-MoTe${}_2$
• Autocorrected Off-axis Holography of 2D Materials
• Topological insulating phase arising in transition metal dichalcogenide alloy
• Large-scale cooperative sulfur vacancy dynamics in two-dimensional MoS2 from machine learning interatomic potentials
• Real-time imaging of atomic potentials in 2D materials with 30 keV electrons
• Large enhancement of infrared absorption due to trimer comprised of doping-N and S-S divacancies in the imperfect monolayer MoS2: A first-principles study
• Uncovering the atomic structure of substitutional platinum dopants in MoS${}_2$ with single-sideband ptychography
• Exploring Topological Transport in Pt${}_2$HgSe${}_3$ Nanoribbons: Insights for Spintronic Device Integration
• Intrinsic Point Defects in Ultrathin 1T-PtSe2 Layers
• First principles study on the oxidation resistance of two-dimensional intrinsic and defective GeO2
• Atomic imaging of 2D transition metal dihalides
• A Se vacancy induced localized Raman mode in two-dimensional MoSe2 grown by CVD
• Electron Energy Loss Spectroscopy of 2D Materials in a Scanning Electron Microscope
• Interaction between the small gas molecules and the defective WSe2 monolayer
• Transition Metal Dichalcogenide MoS${}_2$: oxygen and fluorine functionalization for selective plasma processing
• Geometric Percolation Threshold Defines Half-Metallic Window in Vacancy-Doped Titanium disulfides
• MoS2 Nanoribbons Thermoelectric Generators
• Molybdenum Disulphide Nanoflakes Grown by Chemical Vapour Deposition on Graphite: Nucleation, Orientation, and Charge Transfer
• Calculations of point defects in the layered MX2 (M=Mo, W; X=S, Te): Substitution by the groups III, V and VII elements
• Strong 1D localization and highly anisotropic electron-hole masses in heavy-halogen functionalized graphenes