Misorientation-angle-dependent electrical transport across molybdenum disulfide grain boundaries

Grain boundaries in monolayer transition metal dichalcogenides have unique atomic defect structures and band dispersion relations that depend on the inter-domain misorientation angle. Here, we explore misorientation angle-dependent electrical transport at grain boundaries in monolayer MoS2 by correlating the atomic defect structures of measured devices analysed with transmission electron microscopy and first-principles calculations. Transmission electron microscopy indicates that grain boundaries are primarily composed of 5–7 dislocation cores with periodicity and additional complex defects formed at high angles, obeying the classical low-angle theory for angles <22°. The inter-domain mobility is minimized for angles <9° and increases nonlinearly by two orders of magnitude before saturating at ∼16 cm2 V−1 s−1 around misorientation angle≈20°. This trend is explained via grain-boundary electrostatic barriers estimated from density functional calculations and experimental tunnelling barrier heights, which are ≈0.5 eV at low angles and ≈0.15 eV at high angles (≥20°)

Role of alkali metal promoter in enhancing lateral growth of monolayer transition metal dichalcogenides

Synthesis of monolayer transition metal dichalcogenides (TMDs) via chemical vapor deposition relies on several factors such as precursor, promoter, substrate, and surface treatment of substrate. Among them, the use of promoter is crucial for obtaining uniform and large-area monolayer TMDs. Although promoters have been speculated to enhance adhesion of precursors to the substrate, their precise role in the growth mechanism has rarely been discussed. Here, we report the role of alkali metal promoter in growing monolayer TMDs. The growth occurred via the formation of sodium metal oxides which prevent the evaporation of metal precursor. Furthermore, the silicon oxide substrate helped to decrease the Gibbs free energy by forming sodium silicon oxide compounds. The resulting sodium metal oxide was anchored within such concavities created by corrosion of silicon oxide. Consequently, the wettability of the precursors to silicon oxide was improved, leading to enhance lateral growth of monolayer TMDs. © 2017 IOP Publishing Ltd Printed in the UK1331sciescopu

Misorientation-angle-dependent electrical transport across molybdenum disulfide grain boundaries

Grain boundaries in monolayer transition metal dichalcogenides have unique atomic defect structures and band dispersion relations that depend on the inter-domain misorientation angle. Here, we explore misorientation angle-dependent electrical transport at grain boundaries in monolayer MoS2 by correlating the atomic defect structures of measured devices analysed with transmission electron microscopy and first-principles calculations. Transmission electron microscopy indicates that grain boundaries are primarily composed of 5-7 dislocation cores with periodicity and additional complex defects formed at high angles, obeying the classical low-angle theory for angles = 20 degrees)132371sciescopu

Misorientation-angle-dependent electrical transport across molybdenum disulfide grain boundaries

Grain boundaries in monolayer transition metal dichalcogenides have unique atomic defect structures and band dispersion relations that depend on the inter-domain misorientation angle. Here, we explore misorientation angle-dependent electrical transport at grain boundaries in monolayer MoS(2) by correlating the atomic defect structures of measured devices analysed with transmission electron microscopy and first-principles calculations. Transmission electron microscopy indicates that grain boundaries are primarily composed of 5–7 dislocation cores with periodicity and additional complex defects formed at high angles, obeying the classical low-angle theory for angles <22°. The inter-domain mobility is minimized for angles <9° and increases nonlinearly by two orders of magnitude before saturating at ∼16 cm(2) V(−1) s(−1) around misorientation angle≈20°. This trend is explained via grain-boundary electrostatic barriers estimated from density functional calculations and experimental tunnelling barrier heights, which are ≈0.5 eV at low angles and ≈0.15 eV at high angles (≥20°)

Chain Vacancies in 2D Crystals

Defects in bulk crystals can be classified into vacancies, interstitials, grain boundaries, stacking faults, dislocations, and so forth. In particular, the vacancy in semiconductors is a primary defect that governs electrical transport. Concentration of vacancies depends mainly on the growth conditions. Individual vacancies instead of aggregated vacancies are usually energetically more favorable at room temperature because of the entropy contribution. This phenomenon is not guaranteed in van der Waals 2D materials due to the reduced dimensionality (reduced entropy). Here, it is reported that the 1D connected/aggregated vacancies are energetically stable at room temperature. Transmission electron microscopy observations demonstrate the preferential alignment direction of the vacancy chains varies in different 2D crystals: MoS2 and WS2 prefer 11> direction, while MoTe2 prefers 10> direction. This difference is mainly caused by the different strain effect near the chalcogen vacancies. Black phosphorous also exhibits directional double- chain vacancies along direction. Density functional theory calculations predict that the chain vacancies act as extended gap (conductive) states. The observation of the chain vacancies in 2D crystals directly explains the origin of n-type behavior in MoTe2 devices in recent experiments and offers new opportunities for electronic structure engineering with various 2D materials © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim4

Visualizing Point Defects in Transition-Metal Dichalcogenides Using Optical Microscopy

While transmission electron microscopy and scanning tunneling microscopy reveal atomic structures of point defect and grain boundary in monolayer transition metal dichalcogenides (TMDs), information on point defect distribution in macroscale is still not available. Herein, we visualize the point defect distribution of monolayer TMDs using dark-field optical microscopy. This was realized by anchoring silver nanoparticles on defect sites of MoS2 under light illumination. The optical images clearly revealed that the point defect distribution varies with light power and exposure time. The number of silver nanoparticles increased initially and reached a plateau in response to light power or exposure time. The size of silver nanoparticles was a few hundred nanometers in the plateau region as observed using optical microscopy. The measured defect density in macroscale was similar to 2 x 10(10) cm(-2), slightly lower than the observed value (4 x 10(11) cm(-2)) from scanning tunneling microscopy. © 2015 American Chemical Society124251sciescopu

Nondestructive Characterization of Graphene Defects

An effective method is reported for oxidizing graphene/copper fi lm in which air oxidation of the underlying copper fi lm occurs through the grain boundary lines of graphene without oxidizing graphene. This oxidation is realized by partially immersing the graphene/copper fi lm in sodium chloride solution. Electrons generated during etching of the graphene/copper fi lm in electrolyte diffuse into the fi lm in contact with air, which eventually enhances air oxidation of copper through the graphene layer. While the graphene layer acts as a protective layer against oxidation of the copper fi lm, oxidation of the underlying Cu fi lm near graphene grain boundary lines is observed by optical microscopy. This observation could be attributed to the selective diffusion of oxygen radicals through isolated defects and graphene grain boundaries. The process involves no appreciable oxidation of the graphene layer including the graphene grain boundary, as confi rmed by use of detailed Raman and X-ray photoelectron spectroscopy. DOI: 10.1002/adfm.201300493 T.124261sciescopu

Transferred wrinkled Al2O3 for highly stretchable and transparent graphene-carbon nanotube transistors

Despite recent progress in producing transparent and bendable thin-film transistors using graphene and carbon nanotubes, the development of stretchable devices remains limited either by fragile inorganic oxides or polymer dielectrics with high leakage current. Here we report the fabrication of highly stretchable and transparent field-effect transistors combining graphene/single-walled carbon nanotube (SWCNT) electrodes and a SWCNT-network channel with a geometrically wrinkled inorganic dielectric layer. The wrinkled Al2O3 layer contained effective built-in air gaps with a small gate leakage current of 10-13 A. The resulting devices exhibited an excellent on/off ratio of ∼10 5, a high mobility of ∼40 cm2V-1s-1 and a low operating voltage of less than 1 V. Importantly, because of the wrinkled dielectric layer, the transistors retained performance under strains as high as 20% without appreciable leakage current increases or physical degradation. No significant performance loss was observed after stretching and releasing the devices for over 1,000 times. The sustainability and performance advances demonstrated here are promising for the adoption of stretchable electronics in a wide variety of future applications. © 2013 Macmillan Publishers Limited. All rights reserved.11551621sciescopu

Optical Gain in MoS2 via Coupling with Nanostructured Substrate: Fabry-Perot Interference and Plasmonic Excitation

Despite the direct band gap of monolayer transition metal dichalcogenides (TMDs), their optical gain remains limited because of the poor light absorption in atomically thin, layered materials. Most approaches to improve the optical gain of TMDs mainly involve modulation of the active materials or multilayer stacking. Here, we report a method to enhance the optical absorption and emission in MoS2 simply through the design of a nanostructured substrate. The substrate consisted of a dielectric nanofilm spacer (TiO2) and metal film. The overall photoluminescence intensity from monolayer MoS2 on the nanostructured substrate was engineered based on the TiO2 thickness and amplified by Fabry-Perot interference. In addition, the neutral exciton emission was selectively amplified by plasmonic excitations from the local field originating from the surface roughness of the metal film with spacer thicknesses of less than 10 nm. We further demonstrate that the quality factor of the device can also be engineered by selecting a spacer material with a different refractive index. © 2016 American Chemical Society121231sciescopu