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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.

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At least 415 records · Page 23
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 OSTI2025

Low-dimensional solid-state single-photon emitters

Solid-state single-photon emitters (SPEs) are attracting significant attention as fundamental components in quantum computing, communication, and sensing. Low-dimensional materials-based SPEs (LD-SPEs) have drawn particular interest due to their high photon extraction efficiency, ease of integration with photonic circuits, and strong coupling with external fields. The accessible surfaces of LD materials allow for deterministic control over quantum light emission, while enhanced quantum confinement and light–matter interactions improve photon emissive properties. This perspective examines recent progress in LD-SPEs across four key materials: zero-dimensional (0D) semiconductor quantum dots, one-dimensional (1D) nanotubes, two-dimensional (2D) materials, including hexagonal boron nitride (hBN) and transition metal dichalcogenides (TMDCs). We explore their structural and photophysical properties, along with techniques such as spectral tuning and cavity coupling, which enhance SPE performance. Finally, we address future challenges and suggest strategies for optimizing LD-SPEs for practical quantum applications.

42 ENGINEERING↗
DOE OSTI2024

Three-dimensional structure of buried heterointerfaces revealed by multislice ptychography

Here, we report on the three-dimensional (3D) structure determination of a twisted hexagonal boron nitride (h-BN) heterointerface from a single-view dataset using multislice ptychography. We identify the buried heterointerface between two twisted h-BN flakes with a lateral resolution of 0.57 Å and a depth resolution of 2.5 nm. The latter represents a significant improvement (∼2.7 times) over the aperture-limited depth resolution of incoherent imaging modes, such as annular-dark-field scanning transmission electron microscopy. This improvement is attributed to the diffraction signal extending beyond the aperture edge, with the depth resolution set by the curvature of the Ewald sphere. Future advancements in this approach could enhance the depth resolution to the subnanometer level and enable the identification of individual dopants, defects, and color centers in twisted heterointerfaces and other materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Significant Role of Oxygen Dopants in Photocatalytic PFCA Degradation over h-BN

The activation of the C(sp 3 )–F bond is extremely difficult due to its unreactive nature. The importance of this bond activation is recently highlighted because extensive distribution of perfluorocarboxylic acids (PFCAs) (C n F 2n+1 COOH) has emerged as a challenging environmental issue. Photocatalytic degradation of PFCAs over a few semiconducting light absorbers is known to remove these water and soil resilient contaminants but with limited efficiency. This work reports density functional theory calculations, through which we present a detailed mechanistic study of photocatalytic degradation of CF 3 COOH (the shortest member of the PFCA family) over hexagonal boron nitride (h-BN). Here, our results clearly demonstrate that the existence of point defects is necessary to activate the h-BN plane for photocatalytic dissociation of the C–F bond. Specifically, we show that vacancies create strong Lewis acid or base sites (B or N vacancy, respectively) that facilitate the activation of the C(sp 3 )–F bond considerably. Furthermore, this study presents vivid theoretical evidence for the significant role of oxygen dopants, which mitigate the strength of the active sites and promote PFCA degradation over h-BN. Our calculations suggest that while the very stable intermediates generated during the reaction, in the case of h-BN with B or N vacancies, practically poison the catalyst, oxygen dopants make the degradation much more plausible and controllable. This work thus provides both an explanation for recently observed photocatalytic activity of h-BN to decompose PFCAs and valuable insights for exploring defected two-dimensional materials for activating and removing the fluorine-containing contaminants from water and soil.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Revealing Nanoscale Confinement Effects on Hyperbolic Phonon Polaritons with an Electron Beam

Hyperbolic phonon polaritons (HPhPs) in hexagonal boron nitride (hBN) enable the direct manipulation of mid-infrared light at nanometer scales, many orders of magnitude below the free-space light wavelength. High-resolution monochromated electron energy-loss spectroscopy (EELS) facilitates measurement of excitations with energies extending into the mid-infrared while maintaining nanoscale spatial resolution, making it ideal for detecting HPhPs. The electron beam is a precise source and probe of HPhPs, which allows the observation of nanoscale confinement in HPhP structures and directly extract hBN polariton dispersions for both modes in the bulk of the flake and modes along the edge. The measurements reveal technologically important nontrivial phenomena, such as localized polaritons induced by environmental heterogeneity, enhanced and suppressed excitation due to 2D interference, and strong modification of high-momenta excitations such as edge-confined polaritons by nanoscale heterogeneity on edge boundaries. Finally, the work opens exciting prospects for the design of real-world optical mid-infrared devices based on hyperbolic polaritons.

2D materials↗
DOE OSTI2021

Broad background in electron diffraction of 2D materials as a signature of their superior quality

Abstract An unusually broad bell-shaped component (BSC) has been previously observed in surface electron diffraction on different types of 2D systems. It was suggested to be an indicator of uniformity of epitaxial graphene (Gr) and hexagonal boron nitride (hBN). In the current study we use low-energy electron microscopy and micro-diffraction to directly relate the BSC to the crystal quality of the diffracting 2D material. Specially designed lateral heterostructures were used to map the spatial evolution of the diffraction profile across different 2D materials, namely pure hBN, BCN alloy and pure Gr, where the alloy region exhibits deteriorated structural coherency. The presented results show that the BSC intensity has a minimum in the alloyed region, consequently showing that BSC is sensitive to the lateral domain size and homogeneity of the material under examination. This is further confirmed by the presence of a larger number of sharp moiré spots when the BSC is most pronounced in the pure hBN and Gr regions. Consequently, it is proposed that the BSC can be used as a diagnostic tool for determining the quality of the 2D materials.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Evaluating Ru-RuO 2 @BN as a Bifunctional Electrocatalyst for the Nitrogen Reduction Reaction and the Hydrogen Evolution Reaction

Electrochemical approaches toward clean energy production have been the focus of significant attention. Here, the nitrogen (N 2 ) reduction reaction (NRR) and the hydrogen (H 2 ) evolution reaction (HER) offer a promising method for producing NH 3 and H 2 , respectively. Nevertheless, practical obstacles that must be overcome in creating optimal catalysts are the sluggish kinetics and low selectivity of NRR and HER. Herein, we report on the synthesis of a Ru-RuO 2 -decorated boron nitride (BN) catalyst that shows excellent activity toward NRR. A rate of NH3 formation (V NH3 ) of 16.8 μg h -1 mg -1 and a corresponding Faradaic efficiency (FE) of 52.9% were noted at a potential of −0.5 V in 0.1 M HCl. However, the HER activity of Ru-RuO 2 @BN was found to be highly suppressed in 0.1 M HCl and did not yield a reasonable overpotential value. Thus, the capability of this material toward NRR suggests its viability as a promising catalyst for clean NH 3 production.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

High Ion Conductive and Selective Membrane Achieved through Dual Ion Conducting Mechanisms

Conventional ion-selective membranes, that is ion-exchange and porous membranes, are unable to perform high conductivity and selectivity simultaneously due to the contradictions between their ion selecting and conducting mechanisms. Here, in this work, a bifunctional ion-selective layer is developed via the combination of nanoporous boron nitride (PBN) and ion exchange groups from Nafion to achieve high ion conductivity through dual ion conducting mechanisms as well as high ion selectivity. A template-free method is adopted to synthesize flake-like PBN, which is further enmeshed with Nafion resin to form the bifunctional layer coated onto a porous polyetherimide membrane. The double-layer membrane exhibits excellent ion selectivity (1.49 × 10 8 mS cm –3 min), which is 22 times greater than that of the pristine porous polyetherimide membrane, with outstanding ion conductivity (64 mS cm –1 ). In a vanadium flow battery, the double-layer membrane achieves a high Coulombic efficiency of 97% and outstanding energy efficiency of 91% at 40 mA cm –2 with a stable cycling performance for over 700 cycles at 100 mA cm –2 . PBN with ion exchange groups may therefore offer a potential solution to the limitation between ion selectivity and conductivity in ion-selective membranes.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Experimental system for studying temperature gradient-driven fracture of oxide nuclear fuel out of reactor

Temperature gradients in ceramic light water reactor (LWR) uranium dioxide (UO 2 ) nuclear fuel pellets generate thermal stresses that cause fractures in the fuel beginning early in the life of fresh fuel. The combination of heating due to fission and forced convective cooling on the exterior of LWR fuel rods generates a temperature profile that is difficult to replicate outside the reactor environment. In the present study, a state-of-the-art experimental set-up using electrical heating to replicate fission heating was built and surrogate fuel materials such as ceria (CeO 2 ) were used to validate the system. Cracking experiments were conducted on these surrogates by inducing reactivity-initiated-accident (RIA) like temperature gradients in the pellets via induction and direct resistance heating. Induction heating was done using copper coils and molybdenum susceptors which heated the surrogates to a threshold temperature that is sufficiently high for the fuel material to conduct current. Thereafter, direct resistance heating was used by a D.C. power supply to introduce volumetric heating to replicate LWR operating conditions analogous to fission heating. The pellets were held against nickel electrodes and mounted on a boron nitride test-stand. All the tests were carried out in a stainless-steel vacuum chamber. Simultaneous real-time dual imaging of the surrogate pellet surface has been implemented using an optical and infrared camera system which will be mounted along axial and perpendicular directions to the pellet surface respectively. A beam-splitter was used to split the incoming radiation from the sample into two halves. While one of the beams is transmitted from the splitter through a bandpass filter to obtain optical images, the other beam is reflected from the splitter to the thermal camera to capture full field temperature gradients of the as fabricated pellet surface during crack initiation and propagation. In the current series of tests, a 2-color pyrometer was used for recording and comparing the surface and centerline temperatures of the surrogate pellets in lieu of the thermal camera. A LabVIEW data acquisition system has been set up for collecting useful data during experiments.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2024

Operando XPS for Plasma Process Monitoring: A Case Study on the Hydrogenation of Copper Oxide Confined under h-BN

Here, we demonstrate that ambient pressure x-ray photoelectron spectroscopy (APXPS) can be used for in situ studies of dynamic changes in surface chemistry in a plasma environment. This opens a new and vast application space for XPS and greatly complements modern spectroscopy techniques to probe plasma-solid/liquid interactions relevant to process monitoring in the semiconductor industry, bio-medical plasma applications and plasma remediation technologies. Hexagonal boron nitride (h-BN) grown on Cu was used in this study as a well-defined model system for plasma process monitoring and because of its unique chemical, optical and electrical properties that make it a prospective material for advanced electronics. To better understand the stability and surface chemistry of h-BN during plasma assisted processing, we track in real time the plasma-induced chemical state changes of B, N and the underlying Cu substrate using APXPS equipped with an AC discharge plasma source operating at 13 Pa. Residual gas analysis (RGA) mass-spectra were concurrently collected during plasma-XPS to track reaction products formed during plasma exposure. A clear reduction of Cu x O is seen, while an h-BN layer remains intact, suggesting hydrogen radical (H • ) species can attack the exposed and h-BN covered Cu oxide patches and partially reduce the underlying substrate without significantly damaging the overlaying h-BN, which is of practical importance for development of h-BN encapsulated devices and interfaces. In addition to demonstration of plasma-XPS capabilities we discuss the observed challenges (e.g., parasitic plasma-chamber walls reactions and charging effects) and propose potential solutions.

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

Millimeter-Scale Exfoliation of hBN with Tunable Flake Thickness for Scalable Encapsulation

As a two-dimensional (2D) dielectric material, hexagonal boron nitride (hBN) is in high demand for applications in photonics, nonlinear optics, and nanoelectronics. Unfortunately, the high-throughput preparation of macroscopic-scale, high-quality hBN flakes with controlled thickness is an ongoing challenge, limiting device fabrication and technological integration. In this report we present a metal thin-film exfoliation method to prepare hBN flakes with millimeter-scale dimension, near-unity yields, and tunable flake thickness distribution from 1-7 layers, a substantial improvement over scotch tape exfoliation. The single crystallinity and high quality of the exfoliated hBN are demonstrated with optical microscopy, atomic force microscopy, Raman spectroscopy, and second harmonic generation. We further explore a possible mechanism for the effectiveness and selectivity based on thin-film residual stress measurements, density functional theory calculations, and transmission electron microscopy imaging of the deposited metal films. We find that the magnitude of the residual tensile stress induced by thin film deposition plays a key role in determining exfoliated flake thickness in a manner which closely resembles 3D semiconductor spalling. Lastly, we demonstrate that our exfoliated, large-area hBN flakes can be readily incorporated as encapsulating layers for other 2D monolayers. Altogether, this method brings us one step closer to the high throughput, mass production of hBN-based 2D photonic, optoelectronic, and quantum devices.

2D materials↗
DOE OSTI2025

A General and Modular Approach to Solid-State Integration of Zero-Dimensional Quantum Systems

Here, we present an all-electrical readout mechanism for quasi-0D quantum states (0D-QS), such as point defects, adatoms, and molecules, that is modular and general, providing an approach that is amenable to scaling and integration with other solid-state quantum technologies. Our approach relies on the creation of high-quality tunnel junctions via the mechanical exfoliation and stacking of multilayer graphene (MLG) and hexagonal boron nitride (hBN) to encapsulate the target system in an MLG/hBN/0D-QS/hBN/MLG heterostructure. This structure allows for all-electronic spectroscopy and readout of candidate systems through a combination of coulomb and spin-blockade. As a proof of principle, we demonstrate electronic tunneling spectroscopy of point defects in hBN and the molecular qubit vanadyl phthalocyanine. Our approach demonstrates a new pathway for the incorporation of molecules and atomic defects into solid-state quantum devices and circuits along with a readout scheme that does not rely on highly constrained optical processes for photonic readout.

defects in hexagonal boron nitride↗
DOE OSTI2026

High-Performance Near-Infrared Quantum Emission from Color Centers in hBN

Color centers hosted in hexagonal boron nitride (hBN) have emerged as a highly promising platform for single-photon emission and spin-photon technologies relevant to quantum communication and quantum networking. As a wide bandgap van der Waals material, hBN can host optically active quantum defects across a broad spectral range. Here, we demonstrate a simple and scalable oxygen-plasma process that reproducibly creates single quantum emitters in hBN with blinking-free zero-phonon lines (ZPLs) spanning near-infrared (NIR) from 700 up to 971 nm. These emitters combine MHz-level brightness, single-photon purity up to 99.9%, and ultranarrow cryogenic line widths down to 2.7 GHz under quasi-resonant excitation, placing them in a particularly attractive regime for quantum photonics. Photostability measurements further reveal resistance to photobleaching, subnanometer spectral stability over long time scales, and near-shot-noise-limited intensity fluctuations. Analysis of the phonon sidebands shows weak vibronic coupling and ZPL-dominated emission, with Debye–Waller factors approaching 50%. Control experiments together with elemental mapping support oxygen incorporation as a necessary ingredient in activating the NIR emitter population, while first-principles calculations identify O N V N and O N V N H as the leading defect candidates. These results establish a high-performance NIR quantum-emitter platform in hBN for free-space quantum networking and future integrated quantum-photonic architectures.

2D materials↗
DOE OSTI2025

Direct ink writing of shear exfoliated two-dimensional nanomaterial- elastomeric multifunctional nanocomposite

Direct ink writing (DIW) of polymer nanocomposites with high loadings of two-dimensional (2D) nanofillers (graphene and hexagonal boron nitride (hBN)) is challenging because of potential clogging, use of hazardous solvents, and agglomeration. Here, in this work, a shear exfoliation and sieving method to prepare DIW ink with high loading of nanofillers produced from low-cost bulk layered materials such as graphite and bulk hBN powder for successful DIW printing without the use of any solvents, binders, or plasticizers. The single-step exfoliation technique resulted in a composite with substantial layer reduction along the c-axis, as confirmed by SEM, TEM, XRD, and Raman analysis. Incorporating exfoliated graphene (40 wt%) increased viscosity by ∼6 orders of magnitude due to enhanced particle–matrix interactions, leading to pronounced yield stress behavior and a yield stress of approximately 1598 Pa, which enabled excellent shape retention during extrusion. Using the DIW technique, porous structures such as desalination membranes, self-sensing bone scaffolds, thermal management coating, and serpentine strain sensors were fabricated. When tested in a direct contact membrane distillation setup, the fabricated membrane demonstrated a promising permeate flux of 21.85 Lm −2 h −1 and a salt rejection of 74.3 %. The fabricated serpentine sensor exhibited stable signal variations under cyclic tensile loading, with a working range of 0–200 % strain and a maximum gauge factor of 43,735. A cell culture test using the printed bone scaffold demonstrated promising cell attachment and proliferation. The DIW printed hBN nanocomposite exhibited reversible shape change under heat, demonstrating potential 4D printing capability and efficient thermal management when exposed to high heat or flame.

Desalination↗
DOE OSTI2021

Ultrawide-bandgap semiconductors: An overview

Ultrawide-bandgap (UWBG) semiconductor technology is presently going through a renaissance exemplified by advances in material-level understanding, extensions of known concepts to new materials, novel device concepts, and new applications. as such, this focus issue presents a timely selection of papers spanning the current state of the art in UWBG materials and applications, including both experimental results and theoretical developments. It covers broad research subtopics on UWBG bulk crystals and substrate technologies, UWBG defect science and doping, UWBG epitaxy, UWBG electronic and optoelectronic properties, and UWBG power devices and emitters. In this overview article, we consolidate the fundamentals and background of key UWBG semiconductors including aluminum gallium nitride alloys (Al x Ga 1– x N), boron nitride (BN), diamond, β-phase gallium oxide (β-Ga 2 O 3 ), and a number of other UWBG binary and ternary oxides.

36 MATERIALS SCIENCE↗
NASA NTRS1998

Tensile Properties and Microstructural Characterization of Hi-Nicalon SiC/RBSN Composites

The room temperature physical and mechanical properties of silicon carbide fiber-reinforced reaction-bonded silicon nitride matrix composites (SiC/RBSN) were measured, and the composite microstructure was analyzed. The composites consist of nearly 24 vol% of aligned Hi-Nicalon SiC fiber yarns in a approx. 30 vol% porous silicon nitride matrix. The fiber yarns were coated by chemical vapor deposition with a 0.8 mm layer of boron nitride (BN) followed by a 0.2 mm layer of SiC. In the as-fabricated condition, both 1-D and 2-D composites exhibited high strength and graceful failure, and showed improved properties w en compared with unreinforced matrix of comparable density. No indication of reaction between the SiC fiber and BN coating was noticed, but the outer SiC layer reacted locally with the nitridation enhancing additive in the RBSN matrix. A comparison is made between the predicted and measured values of matrix cracking strength.

Bhatt, Ramakrishna T.↗
NASA NTRS1998

Tensile Properties and Microstructural Characterization of Hi-Nicalon SiC/RBSN Composites

The room temperature physical and mechanical properties of silicon carbide fiber-reinforced reaction-bonded silicon nitride matrix composites (SiC/RBSN) were measured, and the composite microstructure was analyzed. The composites consist of nearly 24 vol% of aligned Hi-Nicalon SiC fiber yarns in a approx. 30 vo1% porous silicon nitride matrix. The fiber yarns were coated by chemical vapor deposition with a 0.8 micron layer of boron nitride (BN) followed by a 0.2 micron layer of SiC. In the as-fabricated condition, both 1-D and 2-D composites exhibited high strength and graceful failure, and showed improved properties when compared with unreinforced matrix of comparable density. No indication of reaction between the SiC fiber and BN coating was noticed, but the outer SiC layer reacted locally with the nitridation enhancing additive in the RBSN matrix. A comparison is made between the predicted and measured values of matrix cracking strength.

Bhatt, Ramakrishna T.↗