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Title: Defects and Defect Engineering of Two-Dimensional Transition Metal Dichalcogenide (2D TMDC) Materials

Journal Article · · Nanomaterials
 [1]; ORCiD logo [2]; ORCiD logo [2]
  1. Joint School of Nanoscience and Nanoengineering, Greensboro, NC (United States); North Carolina Agricultural and Technical State University, Greensboro, NC (United States); OSTI
  2. Joint School of Nanoscience and Nanoengineering, Greensboro, NC (United States); North Carolina Agricultural and Technical State University, Greensboro, NC (United States)

As layered materials, transition metal dichalcogenides (TMDCs) are promising two-dimensional (2D) materials. Interestingly, the characteristics of these materials are transformed from bulk to monolayer. The atomically thin TMDC materials can be a good alternative to group III–V and graphene because of their emerging tunable electrical, optical, and magnetic properties. Although 2D monolayers from natural TMDC materials exhibit the purest form, they have intrinsic defects that limit their application. However, the synthesis of TMDC materials using the existing fabrication tools and techniques is also not immune to defects. Additionally, it is difficult to synthesize wafer-scale TMDC materials for a multitude of factors influencing grain growth mechanisms. While defect engineering techniques may reduce the percentage of defects, the available methods have constraints for healing defects at the desired level. Thus, this holistic review of 2D TMDC materials encapsulates the fundamental structure of TMDC materials, including different types of defects, named zero-dimensional (0D), one-dimensional (1D), and two-dimensional (2D). Moreover, the existing defect engineering methods that relate to both formation of and reduction in defects have been discussed. Finally, an attempt has been made to correlate the impact of defects and the properties of these TMDC materials.

Research Organization:
North Carolina A & T State University, Greensboro, NC (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
Grant/Contract Number:
SC0023415
OSTI ID:
2471988
Journal Information:
Nanomaterials, Journal Name: Nanomaterials Journal Issue: 5 Vol. 14; ISSN 2079-4991
Publisher:
MDPICopyright Statement
Country of Publication:
United States
Language:
English

References (149)

Defects in Solids book February 2008
Properties of Individual Dopant Atoms in Single-Layer MoS 2 : Atomic Structure, Migration, and Enhanced Reactivity journal February 2014
Synthesis and Enhanced Electrochemical Catalytic Performance of Monolayer WS 2(1- x ) Se 2 x with a Tunable Band Gap journal July 2015
New Frontiers in Electron Beam-Driven Chemistry in and around Graphene journal June 2018
Crystal Growth Mechanisms and Morphological Control of the Prototypical Metal-Organic Framework MOF-5 Revealed by Atomic Force Microscopy journal October 2012
Does the S−H Bond Always Break after Adsorption of an Alkylthiol on Au(111)? journal December 2016
Highly crystalline ReSe2 atomic layers synthesized by chemical vapor transport journal October 2019
Shape and Edge Sites Modifications of MoS2 Catalytic Nanoparticles Induced by Working Conditions: A Theoretical Study journal April 2002
Theoretical investigation of electronic and optical properties of doped and defective MoSe2 monolayers journal June 2023
A universal etching-free transfer of MoS2 films for applications in photodetectors journal October 2015
Two-Dimensional Materials in Large-Areas: Synthesis, Properties and Applications journal February 2020
Raman spectra of IVB and VIB transition metal disulfides using laser energies near the absorption edges journal January 1985
From two-dimensional materials to their heterostructures: An electrochemist's perspective journal September 2017
STM study of the MoS2 flakes grown on graphite: A model system for atomically clean 2D heterostructure interfaces journal August 2016
MOCVD of WSe2 crystals on highly crystalline single- and multi-layer CVD graphene journal January 2023
Bending the rules: Contrasting vacancy energetics and migration in graphite and carbon nanotubes journal January 2006
Current injection from metal to MoS2 probed at nanoscale by conductive atomic force microscopy journal February 2016
Emerging opportunities for black phosphorus in energy applications journal June 2019
Temperature-dependent photoconductivity in two-dimensional MoS2 transistors journal December 2023
Enhanced optical absorption of monolayer WS2 using Ag nanograting and distributed Bragg reflector structures journal December 2017
Chemical doping of transition metal dichalcogenides (TMDCs) based field effect transistors: A review journal January 2020
A systematic study on the electronic structure of 3d, 4d, and 5d transition metal-doped WSe2 monolayer journal December 2020
Tuning the magnetic properties of the monolayer MoSe 2 by nonmetal doping: First-principles study journal October 2018
Analysis of electron beam damage of exfoliated MoS2 sheets and quantitative HAADF-STEM imaging journal November 2014
Engineering Nanostructured Interfaces of Hexagonal Boron Nitride-Based Materials for Enhanced Catalysis journal November 2022
Progress and Prospects in Transition-Metal Dichalcogenide Research Beyond 2D journal September 2020
Universal Fermi-Level Pinning in Transition-Metal Dichalcogenides journal February 2019
Influence of Native Defects on the Electronic and Magnetic Properties of CVD Grown MoSe 2 Single Layers journal September 2019
Atomic Healing of Defects in Transition Metal Dichalcogenides journal April 2015
Manganese Doping of Monolayer MoS 2 : The Substrate Is Critical journal September 2015
Band Alignment in MoS 2 /WS 2 Transition Metal Dichalcogenide Heterostructures Probed by Scanning Tunneling Microscopy and Spectroscopy journal July 2016
Approaching the Intrinsic Limit in Transition Metal Diselenides via Point Defect Control journal June 2019
Surface Defects on Natural MoS 2 journal May 2015
Understanding Solvent Effects on the Properties of Two-Dimensional Transition Metal Dichalcogenides journal March 2016
Ambipolar MoS 2 Transistors by Nanoscale Tailoring of Schottky Barrier Using Oxygen Plasma Functionalization journal June 2017
Low-Temperature Growth of 2D-MoS2 Thin Films by Plasma-Enhanced Atomic Layer Deposition Using a New Molybdenum Precursor and Applicability to Gas Sensors journal June 2023
Dielectric Properties and Ion Transport in Layered MoS2 Grown by Vapor-Phase Sulfurization for Potential Applications in Nanoelectronics journal October 2018
Atomic Scale Microstructure and Properties of Se-Deficient Two-Dimensional MoSe 2 journal February 2015
Freestanding van der Waals Heterostructures of Graphene and Transition Metal Dichalcogenides journal May 2015
Single-Layer ReS 2 : Two-Dimensional Semiconductor with Tunable In-Plane Anisotropy journal September 2015
Direct Growth of MoS 2 /h-BN Heterostructures via a Sulfide-Resistant Alloy journal January 2016
Few-Layer MoS 2 p -Type Devices Enabled by Selective Doping Using Low Energy Phosphorus Implantation journal January 2016
Air-Stable n-Doping of WSe 2 by Anion Vacancy Formation with Mild Plasma Treatment journal June 2016
Atomic Structure and Spectroscopy of Single Metal (Cr, V) Substitutional Dopants in Monolayer MoS 2 journal November 2016
Edge Delamination of Monolayer Transition Metal Dichalcogenides journal July 2017
Bilayer Lateral Heterostructures of Transition-Metal Dichalcogenides and Their Optoelectronic Response journal September 2019
Role of Chalcogen Defect Introducing Metal-Induced Gap States and Its Implications for Metal–TMDs’ Interface Chemistry journal March 2023
Shape Evolution of Monolayer MoS 2 Crystals Grown by Chemical Vapor Deposition journal November 2014
Functionalization of Single-Layer MoS 2 Honeycomb Structures journal June 2011
Line Defects in Molybdenum Disulfide Layers journal May 2013
Magnetic Molybdenum Disulfide Nanosheet Films journal August 2007
Effects of Polycrystalline Cu Substrate on Graphene Growth by Chemical Vapor Deposition journal November 2011
Predicting Dislocations and Grain Boundaries in Two-Dimensional Metal-Disulfides from the First Principles journal December 2012
Intrinsic Structural Defects in Monolayer Molybdenum Disulfide journal May 2013
Local Strain Engineering in Atomically Thin MoS 2 journal October 2013
Band Gap Engineering and Layer-by-Layer Mapping of Selenium-Doped Molybdenum Disulfide journal December 2013
Optical Properties and Band Gap of Single- and Few-Layer MoTe 2 Crystals journal October 2014
Self-Limiting Layer-by-Layer Oxidation of Atomically Thin WSe 2 journal February 2015
Structural Defects in Graphene journal November 2010
Tuning the Electronic Properties of Semiconducting Transition Metal Dichalcogenides by Applying Mechanical Strains journal May 2012
Tunable Band Gap Photoluminescence from Atomically Thin Transition-Metal Dichalcogenide Alloys journal April 2013
Intrinsic Magnetism of Grain Boundaries in Two-Dimensional Metal Dichalcogenides journal November 2013
Thermal Conductivity of Monolayer Molybdenum Disulfide Obtained from Temperature-Dependent Raman Spectroscopy journal December 2013
Defect-Dominated Doping and Contact Resistance in MoS 2 journal February 2014
Emerging Device Applications for Semiconducting Two-Dimensional Transition Metal Dichalcogenides journal January 2014
Direct Synthesis of van der Waals Solids journal March 2014
Strong Photoluminescence Enhancement of MoS 2 through Defect Engineering and Oxygen Bonding journal May 2014
Electron and Hole Mobilities in Single-Layer WSe 2 journal June 2014
Controllable Growth and Transfer of Monolayer MoS 2 on Au Foils and Its Potential Application in Hydrogen Evolution Reaction journal September 2014
2D transition metal dichalcogenides journal June 2017
The structure of suspended graphene sheets journal March 2007
Van der Waals heterostructures journal July 2013
The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets journal April 2013
Misorientation-angle-dependent electrical transport across molybdenum disulfide grain boundaries journal January 2016
Identification of active atomic defects in a monolayered tungsten disulphide nanoribbon journal March 2011
Poly(4-styrenesulfonate)-induced sulfur vacancy self-healing strategy for monolayer MoS2 homojunction photodiode journal June 2017
Visualization and quantification of transition metal atomic mixing in Mo1−xWxS2 single layers journal January 2013
Top–down fabrication of sub-nanometre semiconducting nanoribbons derived from molybdenum disulfide sheets journal April 2013
Hopping transport through defect-induced localized states in molybdenum disulphide journal October 2013
Monolayer behaviour in bulk ReS2 due to electronic and vibrational decoupling journal February 2014
Dislocation motion and grain boundary migration in two-dimensional tungsten disulphide journal September 2014
Towards intrinsic charge transport in monolayer molybdenum disulfide by defect and interface engineering journal October 2014
Exploring atomic defects in molybdenum disulphide monolayers journal February 2015
Bandgap tunability at single-layer molybdenum disulphide grain boundaries journal February 2015
Three-fold rotational defects in two-dimensional transition metal dichalcogenides journal April 2015
Anisotropic in-plane thermal conductivity observed in few-layer black phosphorus journal October 2015
Grains and grain boundaries in highly crystalline monolayer molybdenum disulphide journal May 2013
Lateral heterojunctions within monolayer MoSe2–WSe2 semiconductors journal August 2014
Lateral epitaxial growth of two-dimensional layered semiconductor heterojunctions journal September 2014
Atomic mechanism of the semiconducting-to-metallic phase transition in single-layered MoS2 journal April 2014
Gate-tunable memristive phenomena mediated by grain boundaries in single-layer MoS2 journal April 2015
Probing the edge-related properties of atomically thin MoS2 at nanoscale journal December 2019
The role of chalcogen vacancies for atomic defect emission in MoS2 journal June 2021
Antisite defect qubits in monolayer transition metal dichalcogenides journal January 2022
Disorder in van der Waals heterostructures of 2D materials journal May 2019
First-principles study of nonmetal doped monolayer MoSe2 for tunable electronic and photocatalytic properties journal December 2017
Reduction in Step Height Variation and Correcting Contrast Inversion in Dynamic AFM of WS2 Monolayers journal December 2017
MoS2-based absorbers with whole visible spectrum coverage and high efficiency journal April 2022
Pressure dependence of direct optical transitions in ReS2 and ReSe2 journal May 2019
Novel hetero-layered materials with tunable direct band gaps by sandwiching different metal disulfides and diselenides journal March 2013
Defects activated photoluminescence in two-dimensional semiconductors: interplay between bound, charged and free excitons journal September 2013
High-mobility and air-stable single-layer WS2 field-effect transistors sandwiched between chemical vapor deposition-grown hexagonal BN films journal June 2015
Chemical Vapor Deposition of Monolayer Mo1−xWxS2 Crystals with Tunable Band Gaps journal February 2016
The intrinsic defect structure of exfoliated MoS2 single layers revealed by Scanning Tunneling Microscopy journal July 2016
Transfer of monolayer TMD WS2 and Raman study of substrate effects journal February 2017
Patterning Graphene Film by Magnetic-assisted UV Ozonation journal April 2017
Electronic transport properties of transition metal dichalcogenide field-effect devices: surface and interface effects journal January 2015
Atomic structure of defects and dopants in 2D layered transition metal dichalcogenides journal January 2018
High carrier mobility in monolayer CVD-grown MoS 2 through phonon suppression journal January 2018
Atomically sharp interlayer stacking shifts at anti-phase grain boundaries in overlapping MoS 2 secondary layers journal January 2018
Sub-millimeter size high mobility single crystal MoSe2 monolayers synthesized by NaCl-assisted chemical vapor deposition journal January 2020
Quantification of defects engineered in single layer MoS2 journal January 2020
N-type and p-type molecular doping on monolayer MoS2 journal January 2021
Effect of interfacial defects on the electronic properties of MoS2 based lateral T–H heterophase junctions journal January 2021
van der Waals epitaxy of transition metal dichalcogenides via molecular beam epitaxy: looking back and moving forward journal January 2022
Lattice dynamics in mono- and few-layer sheets of WS2 and WSe2 journal January 2013
Making graphene visible journal August 2007
Magnetism in MoS 2 induced by proton irradiation journal September 2012
Magnetic properties of MoS2: Existence of ferromagnetism journal September 2012
Mo-O bond doping and related-defect assisted enhancement of photoluminescence in monolayer MoS 2 journal December 2014
Ambipolar transport in CVD grown MoSe2 monolayer using an ionic liquid gel gate dielectric journal March 2018
Extrinsic p-type doping of few layered WS 2 films with niobium by pulsed laser deposition journal August 2018
Exploring the effect of dielectric screening on neutral and charged-exciton properties in monolayer and bilayer MoTe2 journal December 2022
Structural properties of MoS2 layers grown by CVD technique journal November 2018
Impact of intrinsic atomic defects on the electronic structure of MoS 2 monolayers journal August 2014
Formation of ripples in atomically thin MoS 2 and local strain engineering of electrostatic properties journal February 2015
Controllable growth of monolayer MoS 2 by chemical vapor deposition via close MoO 2 precursor for electrical and optical applications journal January 2017
Raman spectroscopy characterization of two-dimensional materials journal March 2018
Defect engineering of two-dimensional transition metal dichalcogenides journal April 2016
Identifying suitable substrates for high-quality graphene-based heterostructures journal February 2017
Substitutional transition metal doping in MoS2: a first-principles study journal March 2020
Symmetry-dependent phonon renormalization in monolayer MoS 2 transistor journal April 2012
From point to extended defects in two-dimensional MoS 2 : Evolution of atomic structure under electron irradiation journal July 2013
Possible doping strategies for MoS 2 monolayers: An ab initio study journal August 2013
Defect-induced conductivity anisotropy in MoS 2 monolayers journal December 2013
Theory of excitonic second-harmonic generation in monolayer MoS 2 journal June 2014
Native defects in bulk and monolayer MoS 2 from first principles journal March 2015
Two-Dimensional Transition Metal Dichalcogenides under Electron Irradiation: Defect Production and Doping journal July 2012
Magnetism in semiconducting molybdenum dichalcogenides journal December 2018
Optical properties of MoSe2 nanosheets: characterization, simulation and application for Q-switching journal July 2019
Investigation of nonlinear optical properties of rhenium diselenide and its application as a femtosecond mode-locker journal August 2019
MOCVD of Monolayer MoS2 using Novel Molybdenum Precursor i-Pr2DADMo(CO)3 journal January 2018
Electronic properties of transition-metal dichalcogenides journal July 2015
Controllable Synthesis of Band-Gap-Tunable and Monolayer Transition-Metal Dichalcogenide Alloys journal July 2014
Chemical Vapor Transport Deposition of Molybdenum Disulfide Layers Using H2O Vapor as the Transport Agent journal February 2018
Electrochemical Hydrogen Evolution over Hydrothermally Synthesized Re-Doped MoS2 Flower-Like Microspheres journal December 2019
Efficient ReSe2 Photodetectors with CVD Single-Crystal Graphene Contacts journal June 2021
Raman Spectroscopic Studies on Two-Dimensional Materials journal September 2015
Characterization of Two-Dimensional Transition Metal Dichalcogenides in the Scanning Electron Microscope Using Energy Dispersive X-ray Spectrometry, Electron Backscatter Diffraction, and Atomic Force Microscopy journal September 2015