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At least 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Mechanistic Insight into Tunable Spin Relaxation in Two-Dimensional Type-II Ligand-Perovskite Heterostructures

Two-dimensional (2D) metal-halide perovskites with spin-dependent optical properties hold great promise for spintronic and quantum applications. However, their spin lifetimes, especially for n = 1 2D perovskites, are typically limited to subpicosecond time scales due to rapid spin relaxation driven by strong spin−orbit coupling (SOC), electron−hole exchange interactions, and phonon-mediated scattering. Here, we demonstrate that type-II ligand-perovskite heterostructures overcome these constraints by reducing electron−hole wave function overlap and exciton binding energy. Compared to the type-I 2D perovskite (PEA) 2 PbI 4 with a spin lifetime of 0.29 ps at room temperature, our engineered type-II systems achieve substantially extended spin lifetimes, ∼6.37 ps for (4Tm) 2 PbI 4 and ∼18.47 ps for (4TCNm) 2 PbI 4 . In both materials, spatial charge separation across the perovskite−ligand interface mitigates the Bir−Aronov− Pikus (BAP) mechanism. Temperature- and fluence-dependent measurements reveal Elliott−Yafet (EY)-dominated spin relaxation in (4Tm) 2 PbI 4 , consistent with the observation of coherent phonon oscillation, whereas (4TCNm) 2 PbI 4 exhibits D’yakonov−Perel (DP)-dominated spin relaxation, with weaker phonon coupling further suppressing the EY relaxation, enabling spin lifetimes up to ∼126.81 ps at 5 K. Our findings establish a structural design framework for tailoring spin dynamics in 2D perovskites, offering a promising strategy to engineering spin and optoelectronic properties via rational ligand engineering.

Excitons↗
DOE OSTI2024

2024 roadmap on 2D topological insulators

Abstract 2D topological insulators promise novel approaches towards electronic, spintronic, and quantum device applications. This is owing to unique features of their electronic band structure, in which bulk-boundary correspondences enforces the existence of 1D spin–momentum locked metallic edge states—both helical and chiral—surrounding an electrically insulating bulk. Forty years since the first discoveries of topological phases in condensed matter, the abstract concept of band topology has sprung into realization with several materials now available in which sizable bulk energy gaps—up to a few hundred meV—promise to enable topology for applications even at room-temperature. Further, the possibility of combining 2D TIs in heterostructures with functional materials such as multiferroics, ferromagnets, and superconductors, vastly extends the range of applicability beyond their intrinsic properties. While 2D TIs remain a unique testbed for questions of fundamental condensed matter physics, proposals seek to control the topologically protected bulk or boundary states electrically, or even induce topological phase transitions to engender switching functionality. Induction of superconducting pairing in 2D TIs strives to realize non-Abelian quasiparticles, promising avenues towards fault-tolerant topological quantum computing. This roadmap aims to present a status update of the field, reviewing recent advances and remaining challenges in theoretical understanding, materials synthesis, physical characterization and, ultimately, device perspectives.

Weber, Bent (ORCID:000000018586127X)↗
DOE OSTI2022

Fabricating Graphene Oxide/h-BN Metal Insulator Semiconductor Diodes by Nanosecond Laser Irradiation

To employ graphene’s rapid conduction in 2D devices, a heterostructure with a broad bandgap dielectric that is free of traps is required. Within this paradigm, h-BN is a good candidate because of its graphene-like structure and ultrawide bandgap. We show how to make such a heterostructure by irradiating alternating layers of a-C and a-BN film with a nanosecond excimer laser, melting and zone-refining constituent layers in the process. With Raman spectroscopy and ToF-SIMS analyses, we demonstrate this localized zone-refining into phase-pure h-BN and rGO films with distinct Raman vibrational modes and SIMS profile flattening after laser irradiation. Furthermore, in comparing laser-irradiated rGO-Si MS and rGO/h-BN/Si MIS diodes, the MIS diodes exhibit an increased turn-on voltage (4.4 V) and low leakage current. The MIS diode I-V characteristics reveal direct tunneling conduction under low bias and Fowler-Nordheim tunneling in the high-voltage regime, turning the MIS diode ON with improved rectification and current flow. This study sheds light on the nonequilibrium approaches to engineering h-BN and graphene heterostructures for ultrathin field effect transistor device development.

2D materials↗
DOE OSTI2022

Challenges in synthesis of heterostructures

Developing the ability to reproducibly prepare materials drives the advancement of human technology. Trends in historical advances and extrapolation of current technologies suggest that the next logical step is developing the ability to control structure and composition at near atomic scales in device manufacturing to take advantage of emergent properties discovered in 2D materials and heterostructures. This article reviews a subset of synthetic approaches used to prepare heterostructures, outlining key reaction steps, and how experimental parameters are used to control which product forms. The positive attributes of each synthesis approach are discussed along with some of their limitations. The elemental reactant (MER) approach is discussed in more depth.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Confinement of excited states in two-dimensional, in-plane, quantum heterostructures

Two-dimensional (2D) semiconductors are promising candidates for optoelectronic application and quantum information processes due to their inherent out-of-plane 2D confinement. In addition, they offer the possibility of achieving low-dimensional in-plane exciton confinement, similar to zero-dimensional quantum dots, with intriguing optical and electronic properties via strain or composition engineering. However, realizing such laterally confined 2D monolayers and systematically controlling size-dependent optical properties remain significant challenges. Here, we report the observation of lateral confinement of excitons in epitaxially grown in-plane MoSe 2 quantum dots (~15-60 nm wide) inside a continuous matrix of WSe 2 monolayer film via a sequential epitaxial growth process. Various optical spectroscopy techniques reveal the size-dependent exciton confinement in the MoSe 2 monolayer quantum dots with exciton blue shift (12-40 meV) at a low temperature as compared to continuous monolayer MoSe 2 . Finally, single-photon emission (g 2 (0) ~ 0.4) was also observed from the smallest dots at 1.6 K. Our study opens the door to compositionally engineered, tunable, in-plane quantum light sources in 2D semiconductors.

42 ENGINEERING↗
DOE OSTI2025

Synthetic Pathways to gamma-Graphyne and Related Allotropes of Carbon

Graphynes, two-dimensional carbon lattices combining sp 1 and sp 2 hybridized atoms, were predicted theoretically more than three decades ago, but few structures have been realized to date. These carbons are believed to possess remarkable mechanical and electronic properties, including high charge carrier mobilities comparable to those in graphene (10 4 to 10 5 cm 2 V -1 s -1 ). Unlike graphene, certain graphynes are predicted to be intrinsic semiconductors. Among these intriguing structures, γ-graphyne stands out as the structurally simplest and most symmetric sp 1 /sp 2 lattice. γ-Graphyne was first theorized in 1987. In contrast with graphene, γ-graphyne will be a semiconductor with a small band gap suitable for fabrication of electronic devices. This solves one of the fundamental problems of carbon-based electronics, the necessity for inducing a band gap in graphene. γ-Graphyne has the potential to form the basis for the next generation of carbon-based electronics operating at speeds unattainable by traditional silicon chips. Unlike silicon, γ-graphyne is a direct band gap semiconductor, and it will feature exceptional strength comparable to that of other 2D carbon allotropes. Such combination of properties may enable a new generation of highly efficient, ultra-light and flexible solar cells. Despite being a potentially “magical” material, γ-graphyne remained synthetically elusive for over three decades. The primary goals of this project were: (1) Synthesis of bulk γ-graphyne phases through solution-phase 2D polymerizations; (2) Experimental exploration of the physical and chemical properties of γ-graphyne; and (3) Mechanistic and theoretical studies of the novel chemical transformations developed in Goal 1. Common pyrolytic and vapor-deposition methodologies used for the synthesis of graphitic allotropes are unsuitable for graphyne and other sp 1 -contaning structures, as acetylenes readily convert to graphene and amorphous carbon at high temperatures. In contrast, this proposal is based on solution-based 2D polymerization. The major advantages of this approach over the traditional high temperature techniques are the potential to adjust the structure of the material with atomic precision, and the possibility of using structurally complex and relatively fragile repeat units. The outcomes of this research can revolutionize carbon nanotechnology, expanding the field’s structural toolbox beyond primarily graphitic and benzenoid structures. Understanding the chemistry of sp 1 carbon allotropes can lead to entirely new classes of structures with unique properties, including graphyne ribbons, nanotubes, quantum dots, and heterostructures with other 2D materials. Furthermore, the development of reliable and robust synthetic pathways towards periodic covalent molecular sheets with atomically precise structures shall have a profound impact on chemistry and materials science.

2D polymerization↗
DOE OSTI2025

Characterizing sample degradation from synchrotron based X-ray measurements of ultra-thin exfoliated flakes

It is undeniable that novel 2D devices and heterostructures will have a lasting impact on the advancement of future technologies. However, the inherent instability of many exfoliated van der Waals (vdW) materials is a well-known hurdle yet to be overcome. Thus, the sustained interest in exfoliated vdW materials underscores the importance of understanding the mechanisms of sample degradation to establish proactive protective measures. Here, the impact of prolonged synchrotron-based X-ray beam exposure on exfoliated flakes of two contemporary vdW materials, NiPS 3 and α-RuCl 3 , is explored using resonant inelastic X-ray scattering (RIXS) and total fluorescence yield X-ray absorption spectroscopy (XAS). In NiPS 3 , the resulting RIXS and XAS spectra show a suppression, then vanishing, of NiS 6 multiplet excitations coupled with an upward shift of the peak energy of the XAS as a function of X-ray dose. In α-RuCl 3 , the signs of beam damage from the RIXS spectra are less evident. However, the post-experiment characterization of both materials using Raman spectroscopy exhibits signals of an amorphous and disordered system compared to pristine flakes; in addition, energy-dispersive X-ray spectroscopy of NiPS 3 shows evidence of ligand vacancies. As synchrotron radiation is fast becoming a required probe to study 2D vdW materials, these findings lay the groundwork for the development of future protective measures for synchrotron-based prolonged X-ray beam exposure, as well as for X-ray free electron laser.

2D magnetism↗
DOE OSTI2020

Ptychographic atomic electron tomography: Towards three-dimensional imaging of individual light atoms in materials

Through numerical simulations, we demonstrate the combination of ptychography and atomic electron tomography as an effective method for low dose imaging of individual low-Z atoms in three dimensions. After generating noisy diffraction patterns with multislice simulations of an aberration-corrected scanning transmission electron microscope through a 5-nm zinc-oxide nanoparticle, we have achieved three-dimensional (3D) imaging of individual zinc and oxygen atoms and their defects by performing tomography on ptychographic projections. The methodology has also been simulated in 2D materials, resolving individual sulfur atoms in vertical WS 2 /WSe 2 van der Waals heterostructure with a low total electron dose where annular-dark-field images fail to resolve. Overall, we envision that the development of this method could be instrumental in studying the precise 3D atomic structures of radiation sensitive systems and low-Z atomic structures such as 2D heterostructures, catalysts, functional oxides, and glasses.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Towards controlled synthesis of 2D crystals by chemical vapor deposition (CVD)

We report the emergence of two-dimensional (2D) materials has captured the imagination of researchers since graphene was first exfoliated from graphite in 2004. Their exotic properties give rise to many exciting potential applications in advanced electronic, optoelectronic, energy and biomedical technologies. Scalable growth of high quality 2D materials is crucial for their adoption in technological applications the same way the arrival of high quality silicon single crystals was to the semiconductor industry. A huge amount of effort has been devoted to grow large-area, highly crystalline 2D crystals such as graphene and transition metal dichalcogenides (TMDs) through various methods. While CVD growth of wafer-scale monolayer graphene and TMDs has been demonstrated, considerable challenges still remain. In this perspective, we advocate for the focus on the crystal growth morphology as an underpinning for understanding, diagnosing and controlling the CVD process and environment for 2D material growth. Like snowflakes in nature, 2D crystals exhibit a rich variety of morphologies under different growth conditions. The mapping of crystal shapes in the growth parameter space “encodes” a wealth of information, the deciphering of which will lead to better understanding of the fundamental growth mechanism and materials properties. To this end, we envision a collective effort by the 2D materials community to establish the correlation between crystal shapes and the intrinsic thermodynamic and kinetic parameters for CVD reactions through integrated crystal growth experiment, database development and machine learning assisted predictive modeling, which will pave a robust path towards controlled synthesis of 2D materials and heterostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Collective Energy Transport of Excitons in Two-dimensional Materials (Final Report)

The goal of this project is to explore collective behavior that exists in samples with large numbers of interacting particles. The behavior of these systems goes beyond the independent particle picture that is commonly used to describe a vast majority of solid–state phenomena, including the transport of quantized carriers of charge and heat in solids. While collective behavior gives rise to superconductivity at low temperatures, signatures of collective behaviors in both charge and heat transport appear at rather high temperatures in several recent studies of low–dimensional materials. One specific example of this collective behavior is the formation of excitons (i.e., bound electron–hole pairs), which is pronounced in two–dimensional (2D) materials such as transition metal dichalcogenides (TMDCs), with exciton binding energies exceeding the thermal energy at room temperature. In this project, we pursue, optical, electronic, thermal, and thermoelectric measurements to obtain unique insights into the unusual collective energy transport behaviors of excitons in 2D materials and heterostructures.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Polarization-induced 2D electron gases in N-polar AlGaN/AlN heterostructures on single-crystal AlN substrates

Polarization-induced carriers play an important role in achieving high electrical conductivity in ultrawide bandgap semiconductor AlGaN, which is essential for various applications ranging from radio frequency and power electronics to deep UV photonics. Despite significant scientific and technological interest, studies on polarization-induced carriers in N-polar AlGaN are rare. We report the observation and properties of polarization-induced two-dimensional electron gases (2DEGs) in N-polar AlGaN/AlN heterostructures on single-crystal AlN substrates by systematically varying the Al content in the 8 nm top layers from x = 0 to x = 0.6, spanning energy bandgaps from 3.56 to 4.77 eV. The 2DEG density drops monotonically with increasing Al content, from 3.8 × 1013/cm2 in the GaN channel, down to no measurable conductivity for x = 0.6. Alloy scattering limits the 2DEG mobility to below 50 cm2/V s for x = 0.49. These results provide valuable insights for designing N-polar AlGaN channel high electron mobility transistors on AlN for extreme electronics at high voltages and high temperatures, and for UV photonic devices.

Physics↗
DOE OSTI2020

Long-lived charge separation in two-dimensional ligand-perovskite heterostructures

Rational design of heterojunctions using nanostructured materials is a useful strategy for achieving efficient interfacial charge separation in photovoltaics. Heterojunctions can be constructed between organic ligands and inorganic layer in two-dimensional (2D) perovskites, taking advantage of their highly programmable structures. We investigate electron and hole transfer at the interface between the thiophene-based semiconducting ligands and the lead halide inorganic sublattices using time-resolved photoluminescence and transient reflection spectroscopy in single 2D perovskite crystals. Here, these measurements demonstrate charge transfer time of ~ 10 ps and long-lived charge-separated state over the nanosecond timescale in 2D ligand-perovskite heterostructures. The efficient charge transfer processes with slow charge recombination suggest the potential for improving exciton dissociation and charge transport in 2D perovskite solar cells.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Mosaic lateral heterostructures in two-dimensional perovskite

Lateral heterostructures are important for exploring exotic physics, developing new devices and achieving device miniaturization. Endo-epitaxial growth occurring in patterned templates presents a promising strategy to realize extensive patterned areas in heterostructures, as recently demonstrated with two-dimensional (2D) covalent materials. However, the conventional lithography and etching processes used to prepare patterned templates are too aggressive for 2D lead halide perovskites, owing to their inherently soft and unstable ionic lattice. Here we create square holes of controllable size within 2D lead halide perovskites, enabling the fabrication of continuous lateral heterostructures over large areas. We demonstrate that the square holes form through spontaneous etching, a process initiated by internal strain and stabilized along the [100]/[010] crystallographic direction. Furthermore, the size of the square holes can be controlled by adjusting the etching time and temperature. Moreover, by incorporating a rapid solvent evaporation growth technique, the edges of the square holes act as templates for epitaxial growth of another type of perovskite, incorporating different halide or metal ions. Finally, we realized a series of mosaic lateral heterostructures that can emit various colours for light-emitting devices. As a result, this synthesis of diverse 2D perovskite mosaic lateral heterostructures provides valuable insights into the structural characteristics of perovskites and offers a versatile material platform for the development of complex integrated emitting devices.

Organic–inorganic nanostructures↗
DOE OSTI2022

Understanding, discovery, and synthesis of 2D materials enabled by machine learning

Machine learning (ML) is becoming an effective tool for studying 2D materials. Taking as input computed or experimental materials data, ML algorithms predict the structural, electronic, mechanical, and chemical properties of 2D materials that have yet to be discovered. Such predictions expand investigations on how to synthesize 2D materials and use them in various applications, as well as greatly reduce the time and cost to discover and understand 2D materials. This tutorial review focuses on the understanding, discovery, and synthesis of 2D materials enabled by or benefiting from various ML techniques. Here, we introduce the most recent efforts to adopt ML in various fields of study regarding 2D materials and provide an outlook for future research opportunities. The adoption of ML is anticipated to accelerate and transform the study of 2D materials and their heterostructures.

2D Materials↗
DOE OSTI2023

Enhanced Magnetism and Anomalous Hall Transport through Two-Dimensional Tungsten Disulfide Interfaces

The magnetic proximity effect (MPE) has recently been explored to manipulate interfacial properties of two-dimensional (2D) transition metal dichalcogenide (TMD)/ferromagnet heterostructures for use in spintronics and valleytronics. However, a full understanding of the MPE and its temperature and magnetic field evolution in these systems is lacking. In this study, the MPE has been probed in Pt/WS 2 /BPIO (biphase iron oxide, Fe 3 O 4 and α-Fe 2 O 3 ) heterostructures through a comprehensive investigation of their magnetic and transport properties using magnetometry, four-probe resistivity, and anomalous Hall effect (AHE) measurements. Density functional theory (DFT) calculations are performed to complement the experimental findings. We found that the presence of monolayer WS 2 flakes reduces the magnetization of BPIO and hence the total magnetization of Pt/WS 2 /BPIO at T > ~120 K—the Verwey transition temperature of Fe 3 O 4 (T V ). However, an enhanced magnetization is achieved at T < T V . In the latter case, a comparative analysis of the transport properties of Pt/WS 2 /BPIO and Pt/BPIO from AHE measurements reveals ferromagnetic coupling at the WS 2 /BPIO interface. Our study forms the foundation for understanding MPE-mediated interfacial properties and paves a new pathway for designing 2D TMD/magnet heterostructures for applications in spintronics, opto-spincaloritronics, and valleytronics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

One-Step Solution Patterning for Two-Dimensional Perovskite Nanoplate Arrays

Two-dimensional perovskite crystals have attracted significant attention for their diverse optoelectronic characteristics, owing to their superior semiconducting properties. However, the majority of studies to date have focused on single crystals, which pose challenges for integration into device arrays due to their incompatibility with selective growth or conventional lithography techniques. Here, a facile one-step solution process for synthesizing 2D perovskite crystal arrays is proposed through meniscus-guided coating on patterned substrates. Here we further utilized this method for the synthesis of lateral heterostructure nanoplate arrays. Six different 2D perovskite nanoplate arrays, including epitaxial heterostructures, are successfully realized. Optical and crystallographic characterizations show the high optical performance and crystallinity of the nanoplates. Moreover, this method is further employed to prepare high-performance 2D perovskite nanoplate photosensor arrays. This strategy can be utilized as a guideline for the fundamental investigation of optical properties and the development of high-performance optoelectronics of perovskite materials including photosensors and displays.

2D perovskite nanoplates↗
DOE OSTI2020

Heterostructure design to achieve high quality, high density GaAs 2D electron system with g -factor tending to zero

Hydrostatic pressure is a useful tool that can tune several key parameters in solid state materials. For example, the Landé g-factor in GaAs two-dimensional electron systems (2DESs) is expected to change from its bulk value g ≃ -0.44 to zero and even to positive values under sufficiently large hydrostatic pressure. Although this presents an intriguing platform to investigate electron-electron interaction in a system with g = 0, studies are quite limited because the GaAs 2DES density decreases significantly with increasing hydrostatic pressure. Here, we show that a simple model, based on pressure-dependent changes in the conduction band alignment, quantitatively explains this commonly observed trend. Furthermore, we demonstrate that the decrease in the 2DES density can be suppressed by more than a factor of 3 through an innovative heterostructure design.

Physics↗