Search NASA⌕ Search

SEARCH · Search NASA

Results for “Transition metal dichalcogenides”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Imaging Valley Excitons in a 2D Semiconductor with Scanning Tunneling Microscope-Induced Luminescence

Valley excitons dominate the optoelectronic response of transition-metal dichalcogenides and are drastically affected by structural and environmental inhomogeneities localized in these materials. Critical to understanding and controlling these nanoscale excitonic changes is the ability to correlate the imaging of excitonic states with crystalline structures on the atomic scale. Here, in this study, we apply scanning tunneling microscope-induced luminescence microscopy to image valley excitons in a semiconducting transition-metal dichalcogenide monolayer decoupled by a 10 nanometer-thick hexagonal-boron-nitride flake incorporated in a lateral homojunction on an Au electrode surface. This design enables the observation of chiral excitonic emission arising from neutral and charged valley excitons of the monolayer semiconductor at ambipolar voltages with a quantum efficiency up to similar to ~10 -5 photon/electron. The measured light helicity demonstrates considerable circular polarization dependent on the sample voltage, reaching as much as 40%. The real-space luminescence imaging maps$-$at subnanometer resolution$-$of the valley excitons reveal striking spatial variations associated with localized inhomogeneities, including surface impurities and possibly nanoscale dielectric and/or potential disorders in the monolayer. Our study introduces a promising format for 2D materials to explore and tailor their optoelectronic processes at the atomic scale.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

A high-throughput and data-driven computational framework for novel quantum materials

Two-dimensional layered materials, such as transition metal dichalcogenides (TMDs), possess an intrinsic van der Waals gap at the layer interface, allowing for remarkable tunability of the optoelectronic features via external intercalation of foreign guests such as atoms, ions, or molecules. Herein, we introduce a high-throughput, data-driven computational framework for the design of novel quantum materials derived from intercalating planar conjugated organic molecules into bilayer transition metal dichalcogenides and dioxides. By combining first-principles methods, material informatics, and machine learning, we characterize the energetic and mechanical stability of this new class of materials and identify the fifty (50) most stable hybrid materials from a vast configurational space comprising ∼105 materials, employing intercalation energy as the screening criterion.

Kastuar, Srihari M. (ORCID:0000000279001561)↗
DOE OSTI2021

Programmable hyperbolic polaritons in van der Waals semiconductors

Lighting a route for hyperbolic dispersion The propagation of light within a material is usually well defined, with the propagation described by scattering and dispersion. In artificially designed metamaterials and in anisotropic layered materials, the dispersion can be hyperbolic, giving rise to subwavelength confinement of the light. Sternbach et al. show that the hyperbolic dispersion can be optically switched on and off on demand in the layered transition metal dichalcogenide tungsten diselenide (see the Perspective by Deng and Chen). Illuminating the material with ultrafast pulses of sub-bandgap light creates a transient waveguide, resulting in hyperbolic dispersion in the material. The ability to tune the dispersion characteristics on demand using optical pumping is an effective approach for developing ultrafast switching photonic devices and controlling the propagation of light on the nanoscale. Science , this issue p. 617 ; see also p. 572

Science & Technology - Other Topics↗
DOE OSTI2023

Strain–Activated Stimulated Emission from Multilayer MoSe 2 in a Narrow Operation Window

Herein, photoluminescence (PL) and fluorescence lifetime imaging (FLIM) in multilayer MoSe 2 are studied. Strain-activated stimulated emission via defect levels in multilayer MoSe 2 under laser excitation is observed, for the first time in defects of transition metal dichalcogenides. The stimulated emission is indicated by a threshold behavior of PL emission intensity with respect to laser intensity, strong polarization effects, achieved population inversion with a difference in lifetimes of two competing excited states, and localization of the stimulated emission zone as observed in FLIM. Here, the presented results not only demonstrate strain-activated stimulated emission and highlight the necessity of strain engineering in tailoring 2D layered materials for optoelectronic applications, but also shed light on the design of stimulated emission in transition metal dichalcogenide's defects to tailor for potential single-photon emission behavior.

enhanced emission↗
DOE OSTI2020

Bulk direct gap MoS2 by plasma induced layer decoupling

Bulk direct transition metal dichalcogenide (TMDC) may have an increased interlayer separation of at least 0.5, 1, or 3 angstroms more than its bulk value. The TMDC may be a bulk direct band gap molybdenum disulfide (MoS2) or a bulk direct band gap tungsten diselenide (WSe2). Oxygen may be between the interlayers. A device may include the TMDC, such as an optoelectronic device, such as an LED, solid state laser, a photodetector, a solar cell, a FET, a thermoelectric generator, or a thermoelectric cooler. A method of making bulk direct transition metal dichalcogenide (TMDC) with increased interlayer separation may include exposing bulk direct TMDC to a remote (aka downstream) oxygen plasma. The plasma exposure may cause an increase in the photoluminescence efficiency of the TMDC, more charge neutral doping, or longer photo-excited carrier lifetimes, as compared to the TMDC without the plasma exposure.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Mott and generalized Wigner crystal states in WSe 2 /WS 2 moiré superlattices

Moiré superlattices can be used to engineer strongly correlated electronic states in two-dimensional van der Waals heterostructures, as recently demonstrated in the correlated insulating and superconducting states observed in magic-angle twisted-bilayer graphene and ABC trilayer graphene/boron nitride moiré superlattices. Transition metal dichalcogenide moiré heterostructures provide another model system for the study of correlated quantum phenomena because of their strong light–matter interactions and large spin–orbit coupling. However, experimental observation of correlated insulating states in this system is challenging with traditional transport techniques. Here we report the optical detection of strongly correlated phases in semiconducting WSe 2 /WS 2 moiré superlattices. We use a sensitive optical detection technique and reveal a Mott insulator state at one hole per superlattice site and surprising insulating phases at 1/3 and 2/3 filling of the superlattice, which we assign to generalized Wigner crystallization on the underlying lattice. Furthermore, the spin–valley optical selection rules of transition metal dichalcogenide heterostructures allow us to optically create and investigate low-energy excited spin states in the Mott insulator. We measure a very long spin relaxation lifetime of many microseconds in the Mott insulating state, orders of magnitude longer than that of charge excitations. Here, our studies highlight the value of using moiré superlattices beyond graphene to explore correlated physics.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Excited Rydberg states in MoSe 2 /WSe 2 heterostructures

The functional form of Coulomb interactions in the transition metal dichalcogenides (TDMs) and other van der Waals solids is critical to many of their unique properties, e.g. strongly-correlated electron states, superconductivity and emergent ferromagnetism. This paper presents measurements of key excitonic energy levels in MoSe 2 /WSe 2 heterostructures. These measurements are obtained from resonance Raman experiments on specific Raman peaks only observed at excited states of the excitons. This data is used to validate a model of the Coulomb potential in these structures which predicts the exciton energies to within ~5 meV. This model is used to determine the effect of heterostructure formation on the single-particle band gaps of the layers and will have a wide applicability in designing the next generation of more complex TDM structures.

Materials Science↗
DOE OSTI2023

Nonlinear Dispersion Relation and Out‐of‐Plane Second Harmonic Generation in MoSSe and WSSe Janus Monolayers

Janus transition metal dichalcogenides are an emerging class of atomically thin materials with engineered broken mirror symmetry that gives rise to long‐lived dipolar excitons, Rashba splitting, and topologically protected solitons. They hold great promise as a versatile nonlinear optical platform due to their broadband harmonic generation tunability, ease of integration on photonic structures, and nonlinearities beyond the basal crystal plane. Here, second and third harmonic generation in MoSSe and WSSe Janus monolayers is studied. Polarization‐resolved spectroscopy is used to map the full second‐order susceptibility tensor of MoSSe, including its out‐of‐plane components. In addition, the effective third‐order susceptibility and the second‐order nonlinear dispersion close to exciton resonances for both MoSSe and WSSe are measured at room and cryogenic temperatures. This work sets a bedrock for understanding the nonlinear optical properties of Janus transition metal dichalcogenides and probing their use in the next‐generation on‐chip multifaceted photonic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Observation of van der Waals phonons in the single-layer cuprate ( Bi , Pb ) 2 ( Sr , La ) 2 CuO 6 + δ

Interlayer van der Waals (vdW) coupling is generic in two-dimensional materials such as graphene and transition-metal dichalcogenides, which can induce very low-energy phonon modes. Using high-resolution inelastic hard x-ray scattering, we uncover the ultralow energy phonon mode along the Cu-O bond direction in the high- T c cuprate (Bi,Pb) 2 (Sr,La) 2 ⁢CuO 6+$\delta$ (Bi2201). The energy and full-width half-maximum (FWHM) of these modes are independent of temperature, while their intensity decreases with doping in accordance with an increasing c -axis lattice parameter. Here, we compare the experimental results to first-principles density functional theory simulations and identify the observed mode as a van der Waals phonon, which arises from the shear motion of the adjacent Bi-O layers. This shows that Bi-based cuprate has vibrational properties similar to graphene and transition-metal dichalcogenides, which can be exploited to engineer novel heterostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Disassembling 2D van der Waals crystals into macroscopic monolayers and reassembling into artificial lattices

Two-dimensional materials from layered van der Waals (vdW) crystals hold great promise for electronic, optoelectronic, and quantum devices, but technological implementation will be hampered by the lack of high-throughput techniques for exfoliating single-crystal monolayers with sufficient size and high quality. Here, we report a facile method to disassemble vdW single crystals layer by layer into monolayers with near-unity yield and with dimensions limited only by bulk crystal sizes. The macroscopic monolayers are comparable in quality to microscopic monolayers from conventional Scotch tape exfoliation. The monolayers can be assembled into macroscopic artificial structures, including transition metal dichalcogenide multilayers with broken inversion symmetry and substantially enhanced nonlinear optical response. This approach takes us one step closer to mass production of macroscopic monolayers and bulk-like artificial materials with controllable properties.

Science & Technology - Other Topics↗
DOE OSTI2020

Creation of Single-Photon Emitters in WSe 2 Monolayers Using Nanometer-Sized Gold Tips

Due to their tunable bandgaps and strong spin-valley locking, transition metal dichalcogenides constitute a unique platform for hosting single-photon emitters. Here, we present a versatile approach for creating bright single-photon emitters in WSe 2 monolayers by the deposition of gold nanostars. Our molecular dynamics simulations reveal that the formation of the quantum emitters is likely caused by the highly localized strain fields created by the sharp tips of the gold nanostars. The surface plasmon modes supported by the gold nanostars can change the local electromagnetic fields in the vicinity of the quantum emitters, leading to their enhanced emission intensities. Moreover, by correlating the emission energies and intensities of the quantum emitters, we are able to associate them with two types of strain fields and derive the existence of a low-lying dark state in their electronic structures. The findings here are highly relevant for the development and understanding of single-photon emitters in transition metal dichalcogenide materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

2D material platform for overcoming the amplitude–phase tradeoff in ring resonators

Compact and high-speed electro-optic phase modulators play a vital role in various large-scale applications including optical computing, quantum and neural networks, and optical communication links. Conventional electro-refractive phase modulators such as silicon (Si), III-V and graphene on Si suffer from a fundamental tradeoff between device length and optical loss that limits their scaling capabilities. High-finesse ring resonators have been traditionally used as compact intensity modulators, but their use for phase modulation has been limited due to the high insertion loss associated with the phase shift. Here, we show that high-finesse resonators can achieve a strong phase shift with low insertion loss by simultaneous modulation of the real and imaginary parts of the refractive index, to the same extent, i.e., Δ n Δ k ∼1. To implement this strategy, we demonstrate an active hybrid platform that combines a low-loss SiN ring resonator with 2D materials such as graphene and transition metal dichalcogenide [tungsten disulphide (WSe 2 )], which induces a strong change in the imaginary and real parts of the index. Our platform consisting of a 25 µm long Gr-Al 2 O 3 -WSe 2 capacitor embedded on a SiN ring of 50 µm radius (∼8% ring coverage) achieves a continuous phase shift of (0.46±0.05) π radians with an insertion loss (IL) of 3.18±0.20 dB and a transmission modulation (Δ T Ring ) of 1.72±0.15dB at a probe wavelength ( λ p ) of 1646.18 nm. We find that our Gr-Al 2 O 3 -WSe 2 capacitor exhibits a phase modulation efficiency ( V π 2 ⋅ L ) of 0.530±0.016V⋅cm and can support an electro-optic bandwidth of 14.9±0.1GHz. We further show that our platform can achieve a phase shift of π radians with an IL of 5 dB and a minimum Δ T of 0.046 dB. We demonstrate the broadband nature of the binary phase response, by measuring a phase shift of (1.00±0.10) π radians, with an IL of 5.20±0.31dB and a minimal Δ T Ring of 0.015±0.006dB for resonances spanning from 1564 to 1650 nm. This SiN–2D hybrid platform provides the design for compact and high-speed reconfigurable circuits with graphene and transition metal dichalcogenide (TMD) monolayers that can enable large-scale photonic systems.

Datta, Ipshita (ORCID:0000000318842882)↗
DOE OSTI2025

Topologically Protected Flatness in Chiral Moiré Heterostructures

The observation of delicate correlated phases in twisted heterostructures of graphene and transition metal dichalcogenides suggests that moiré flat bands are intrinsically resilient against certain types of disorder. Here, we investigate the robustness of moiré flat bands in the chiral limit of the Bistritzer-MacDonald model—applicable to both platforms in certain limits—and demonstrate drastic differences between the first magic angle and higher magic angles in response to chiral symmetric disorder that arise, for instance, from lattice relaxation. We understand these differences using a hidden constant of motion that permits the decomposition of the non-Abelian gauge field induced by interlayer tunnelings into two decoupled Abelian ones. At all magic angles, the resulting effective magnetic field splits into an anomalous contribution and a fluctuating part. The anomalous field maps the moiré flat bands onto a zeroth Dirac Landau level, whose flatness withstands any chiral symmetric perturbation such as nonuniform magnetic fields due to a topological index theorem—thereby underscoring a topological mechanism for band flatness. Only the first magic angle can fully harness this topological protection due to its weak fluctuating magnetic field. In higher magic angles, the amplitude of fluctuations largely exceeds the anomalous contribution, which we find results in a physically meaningless chiral operator and an extremely large sensitivity to microscopic details and an exponential collapse of the single-particle gap. Through numerical simulations, we further study various types of disorder and identify the scattering processes that are enhanced or suppressed in the chiral limit. Interestingly, we find that the topological suppression of disorder broadening persists away from the chiral limit and is further accentuated by isolating a single sublattice polarized flat band in energy. Our analysis suggests the Berry curvature hot spot at the top of the K and K ′ valence band in the transition metal dichalcogenide monolayers is essential for the stability of its moiré flat bands and their correlated states. Published by the American Physical Society 2025

Crépel, Valentin (ORCID:0000000302403412)↗
DOE OSTI2021

Stabilizing the heavily-doped and metallic phase of MoS 2 monolayers with surface functionalization

Monolayer molybdenum disulfide (MoS 2 ) is one of the most studied two-dimensional (2D) transition metal dichalcogenides that is being investigated for various optoelectronic properties, such as catalysis, sensors, photovoltaics, and batteries. One such property that makes this material attractive is the ease in which 2D MoS 2 can be converted between the semiconducting (2H) and metallic/semi-metallic (1T/1T') phases or heavily n-type doped 2H phase with ion intercalation, strain, or excess negative charge. Using n-butyl lithium (BuLi) immersion treatments, we achieve 2H MoS 2 monolayers that are heavily n-type doped with shorter immersion times (10–120 mins) or conversion to the 1T/1T' phase with longer immersion times (6–24 h); however, these doped/converted monolayers are not stable and promptly revert back to the initial 2H phase upon exposure to air. To overcome this issue and maintain the modification of the monolayer MoS 2 upon air exposure, we use BuLi treatments plus surface functionalization p-(CH 3 CH 2 ) 2 NPh-MoS 2 (Et 2 N-MoS 2 )—to maintain heavily n-type doped 2H phase or the 1T/1T' phase, which is preserved for over two weeks when on indium tin oxide or sapphire substrates. We also determine that the low sheet resistance and metallic-like properties correlate with the BuLi immersion times. These modified MoS 2 materials are characterized with confocal Raman/photoluminescence, absorption, x-ray photoelectron spectroscopy as well as scanning Kelvin probe microscopy, scanning electrochemical microscopy, and four-point probe sheet resistance measurements to quantify the differences in the monolayer optoelectronic properties. We will demonstrate chemical methodologies to control the modified monolayer MoS 2 that likely extend to other 2D transition metal dichalcogenides, which will greatly expand the uses for these nanomaterials.

2D TMDC↗
DOE OSTI2021

Imaging Electrons in Two Dimensional Materials (Final report)

Two-dimensional (2D) materials have extraordinary characteristics that offer promising new approaches for science and technology. Electrons in graphene can move ballistically through a sheet, even though it is only a single atom thick. And transition metal dichalcogenide materials can be cleaved into 2D flakes of all types – metals, semiconductors, insulators, magnetic materials, and superconductors. To benefit from these discoveries, the science needs to be understood to transform 2D materials into useful new devices and systems. The evolution in time of atomic scale graphene structures has been studied in time with a transmission electron microscope (TEM), and ballistic transport of electrons in graphene was been imaged using a cooled scanning probe microscope (SPM), as well as electron motion in MoS 2 . Graphene is only one atom thick but is extremely strong, creating the opportunity to fabricate atomic scale structures in the lateral direction. Using an atomic resolution TEM, a suspended sheet of graphene can be shaped by a Si impurity atom on its surface that acts like a chisel to open up apertures, one atom at a time. The electrons in the TEM provide both the chiseling energy and the ability to image the results. Electrons and holes in graphene form a new type of electronic system with conical conduction and valence bands that meet at the Dirac point, with no energy gap. For moderate densities, the carriers form a Fermi liquid with ballistic transport over micron-scale distances. Using a cooled SPM the cyclotron orbit of electrons in graphene has been imaged. In the magnetic focusing regime, electrons leaving a point contact circle around and leave from a second point contact when the cyclotron diameter is equal to the contact spacing. The paths of electrons are focused - they enter at different angles but converge again at the exiting contact. When the SPM tip knocks an electron out of its orbit, an imaging signal is created. The ballistic motion of carriers in graphene opens the way for ballistic devices that manipulate beams of electrons and holes. Our collaborator Gil-Ho Lee, in Philip Kim's group, created a collimating contact by placing zig-zag absorbers on either side of entering electrons. Our cooled SPM was used to image the electron beam and determine its 9-degree halfwidth. By changing the gate voltage, a collimated beam of holes was also created, opening the way for colliding beam experiments. Coherent beams of carriers are desirable for quantum information processing. Via Andreev reflection, superconducting contacts can covert Cooper pairs in a superconductor to an ingoing and outgoing electrons and holes. Using our cooled SPM, Andreev reflection was imaged from a superconducting contact on a graphene device. Magnetic focusing was used to create an incoming beam of electrons and an outgoing beam of holes, detected by a third point contact. The images show a clear transition from normal reflection above the superconducting transition temperature to Andreev reflection as the device is cooled. Transition metal dichalcogenides offer a wide array of materials that can be exfoliated into ultrathin 2D sheets. A cooled SPM can be used to detect quantum dots as well as to image electron flow. The tip charge capacitively couples to electrons on the dot, acting as a gate to tune the dot conductance. Coulomb blockade peaks appear as a bullseye pattern in an SPM image as the tip is raster scanned above the dot. This approach was used to detect quantum dots in a MoS 2 channel as the carrier density was reduced and electrons pooled in low energy points. Through our DOE supported research, cooled SPM imaging has proven to be a very useful tool to uncover the motion of electrons and holes in the new quantum materials graphene and MoS 2 .

36 MATERIALS SCIENCE↗