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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Topological Phases in Graphene Nanoribbons Tuned by Electric Fields

Graphene nanoribbons (GNRs) possess distinct symmetry-protected topological phases. Here we show, through first-principles calculations, that by applying an experimentally accessible transverse electric field, certain boron and nitrogen periodically codoped GNRs have tunable topological phases. The tunability arises from a field-induced band inversion due to an opposite response of the conduction- and valence-band states to the electric field. With a spatially varying applied field, segments of GNRs of distinct topological phases are created, resulting in a field-programmable array of topological junction states, each may be occupied with charge or spin. Our findings not only show that electric field may be used as an easy tuning knob for topological phases in quasi-one-dimensional systems, but also provide new design principles for future GNR-based quantum electronic devices through their topological characters.

1-dimensional systems↗
DOE OSTI2023

Gold Nanoparticles AuNP Decorated on Fused Graphene-like Materials for Application in a Hydrogen Generation

The search for a sustainable, alternative fuel source to replace fossil fuels has led to an increased interest in hydrogen fuel. This combustible gas is not only clean-burning but can readily be produced via the hydrolysis of sodium borohydride. The main drawback of this reaction is that the reaction occurs relatively slowly and requires a catalyst to improve efficiency. This study explored a novel composite material made by combining gold nanoparticles and fused graphene-like materials (AuFGLM) as a catalyst for generating hydrogen via sodium borohydride. The novel fused graphene-like material (FGLM) was made with a sustainable dextrose solution and by using a pressure-processing method. Imaging techniques showed that FGLM appears to be an effective support template for nanoparticles. Transmission electron microscopy (TEM), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDS), Fourier-transform infrared spectroscopy (FTIR), X-ray diffraction (XRD) and Raman spectroscopy were used to characterize and determine the size, shape, and structure of nanoparticles and composites. The TEM study characterized the fused carbon backbone as it began to take on a rounder shape. The TEM images also revealed that the average diameter of the gold nanoparticle was roughly 23 nm. The FTIR study confirmed O-H, C-C, and C=O as functional groups in the materials. The EDS analysis showed that the composite contained approximately 6.3% gold by weight. The crystal structures of FGLM and AuFGLM were identified via P-XRD analysis. Various reaction conditions were used to test the catalytic ability of AuFGLM, including various solution pHs, temperatures, and doses of NaBH 4 . It was observed that optimal reaction conditions included high temperature, an acidic solution pH, and a higher dose of NaBH 4 . The activation energy of the reaction was determined to be 45.5 kJ mol -1 , and it was found that the catalyst could be used multiple times in a row with an increased volume of hydrogen produced in ensuing trials. The activation energy of this novel catalyst is competitive compared to similar catalysts and its ability to produce hydrogen over multiple uses makes the material an exciting choice for catalyzing the hydrolysis of NaBH 4 for use as a hydrogen fuel source.

08 HYDROGEN↗
DOE OSTI2021

The Creation of True Two-Dimensional Silicon Carbide

This paper reports the successful synthesis of true two-dimensional silicon carbide using a top-down synthesis approach. Theoretical studies have predicted that 2D SiC has a stable planar structure and is a direct band gap semiconducting material. Experimentally, however, the growth of 2D SiC has challenged scientists for decades because bulk silicon carbide is not a van der Waals layered material. Adjacent atoms of SiC bond together via covalent sp3 hybridization, which is much stronger than van der Waals bonding in layered materials. Additionally, bulk SiC exists in more than 250 polytypes, further complicating the synthesis process, and making the selection of the SiC precursor polytype extremely important. This work demonstrates, for the first time, the successful isolation of 2D SiC from hexagonal SiC via a wet exfoliation method. Unlike many other 2D materials such as silicene that suffer from environmental instability, the created 2D SiC nanosheets are environmentally stable, and show no sign of degradation. 2D SiC also shows interesting Raman behavior, different from that of the bulk SiC. Our results suggest a strong correlation between the thickness of the nanosheets and the intensity of the longitudinal optical (LO) Raman mode. Furthermore, the created 2D SiC shows visible-light emission, indicating its potential applications for light-emitting devices and integrated microelectronics circuits. We anticipate that this work will cause disruptive impact across various technological fields, ranging from optoelectronics and spintronics to electronics and energy applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

High optical transparent two-dimensional electronic conducting system and process for generating same

Hybrid transparent conducting materials are disclosed with combine a polycrystalline film and conductive nanostructures, in which the polycrystalline film is “percolation doped” with the conductive nanostructures. The polycrystalline film preferably is a single atomic layer thickness of polycrystalline graphene, and conductive nanostructures preferably are silver nanowires.

Alam, Muhammad Ashraful↗
DOE OSTI2022

High optical transparent two-dimensional electronic conducting system and process for generating same

Hybrid transparent conducting materials are disclosed which combine a polycrystalline film and conductive nanostructures, in which the polycrystalline film is “percolation doped” with the conductive nanostructures. The polycrystalline film preferably is a single atomic layer thickness of polycrystalline graphene, and the conductive nanostructures preferably are silver nanowires.

Alam, Muhammad Ashraful↗
DOE OSTI2020

Surface functionality and formation mechanisms of carbon and graphene quantum dots

Graphene quantum dots (GQDs) and Carbon dots (C-dots) have been widely studied in recent years due to their structural and optoelectrical properties. These properties have prompted the exploration of the role of these carbon-based materials in many potential applications. This includes solar cells, photodetectors, bioimaging, sensors, batteries and drug delivery. These properties and applications of GQDs and C-dots are highly dependent on their size, shape and surface functionality. In this work, GQDs and C-dots mixtures have been synthesized by an inexpensive wet chemical method by varying the synthesis temperature from 85°, 100° to 115 °C. The surface functionalities of the synthesized carbon-based materials were investigated by several analytical methods. We discovered a higher degree of oxidation at higher temperatures. The mechanism of formation of different sized GQDs and C-dots with different functionalities have been explained with the help of XPS and NEXAFS analysis. The influence of size and surface functionalities on the optical properties of these nanomaterials is analyzed by UV–Vis and PL spectroscopic techniques. Furthermore, this study demonstrates that physicochemical properties of GQDs and C-dots can be controlled by changing the synthesis temperature.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Valley pumping via edge states and the nonlocal valley Hall effect in two-dimensional semiconductors

Recent experiments have studied the temperature and gate voltage dependence of nonlocal transport in bilayer graphene, identifying features thought to be associated with the two-dimensional semiconductor's bulk intrinsic valley Hall effect. Here, we use both simple microscopic tight-binding ribbon models and phenomenological bulk transport equations to emphasize the impact of sample edges on the nonlocal voltage signals. We show that the nonlocal valley Hall response is sensitive to electronic structure details at the sample edges and that it is enhanced when the local longitudinal conductivity is larger near the sample edges than in the bulk. We discuss recent experiments in light of these findings and also discuss the close analogy between electron pumping between valleys near two-dimensional sample edges in the valley Hall effect and bulk pumping between valleys due to the chiral anomaly in three-dimensional topological semimetals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Extracting Inelastic Scattering Cross Sections for Finite and Aperiodic Materials from Electronic Dynamics Simulations

Explicit time-dependent electronic structure theory methods are increasingly prevalent in the areas of condensed matter physics and quantum chemistry, with the broad-band optical absorptivity of molecular and small condensed-phase systems nowadays routinely studied with such approaches. Here, in this paper, it is demonstrated that electronic dynamics simulations can similarly be employed to study cross sections for the scattering-induced electronic excitations probed in nonresonant inelastic X-ray scattering and momentum-resolved electron energy loss spectroscopies. A method is put forth for evaluating the electronic dynamic structure factor, which involves the application of a momentum boost-type perturbation and transformation of the resulting reciprocal space density fluctuations into the frequency domain. Good agreement is first demonstrated between the dynamic structure factor extracted from these electronic dynamics simulations and the corresponding transition matrix elements from linear response theory. The method is then applied to some extended (quasi)one-dimensional systems, for which the wave vector becomes a good quantum number in the thermodynamic limit. Finally, the dispersion of many-body excitations in a series of hydrogen-terminated graphene flakes (and twisted bilayers thereof) is investigated to highlight the utility of the presented approach for capturing morphology-dependent effects in the inelastic scattering cross sections of nanostructured and/or noncrystalline materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Degradation of Phonons in Disordered Moiré Superlattices

The elastic collective modes of a moiré superlattice arise not from vibrations of a rigid crystal but from the relative displacement between the constituent layers. Despite their similarity to acoustic phonons, these modes, called phasons, are not protected by any conservation law. Furthermore, we show that disorder in the relative orientation between the layers and thermal fluctuations associated with their sliding motion degrade the propagation of sound in the moiré superlattice. Specifically, the phason modes become overdamped at low energies and acquire a finite gap, which displays a universal dependence on the twist-angle variance. Thus, twist-angle inhomogeneity is manifested not only in the non-interacting electronic structure of moiré systems, but also in their phonon-like modes. More broadly, our results have important implications for the electronic properties of twisted moiré systems that are sensitive to the electron-phonon coupling.

2-dimensional systems↗
DOE OSTI2025

Signatures of chiral superconductivity in rhombohedral graphene

Chiral superconductors are unconventional superconducting states that break time-reversal symmetry spontaneously and typically feature Cooper pairing at non-zero angular momentum. Such states may host Majorana fermions and provide an important platform for topological physics research and fault-tolerant quantum computing. Despite intensive search and prolonged studies of several candidate systems, chiral superconductivity has remained elusive so far. Here we report the discovery of robust unconventional superconductivity in rhombohedral tetralayer and pentalayer graphene without moiré superlattice effects. We observed two superconducting states in the gate-induced flat conduction bands with T c up to 300 mK and charge density n e down to 2.4 ×10 11 cm −2 in five devices. Spontaneous time-reversal-symmetry breaking (TRSB) owing to orbital motion of the electron is found and several observations indicate the chiral nature of these superconducting states, including: (1) in the superconducting state, R xx shows magnetic hysteresis in varying out-of-plane magnetic field B ⊥ —absent from all other superconductors; (2) the superconducting states are robust against in-plane magnetic field and are developed within a spin-polarized and valley-polarized quarter-metal (QM) phase; (3) the normal states show anomalous Hall signals at zero magnetic field and magnetic hysteresis. Here, we also observed a critical B ⊥ of 1.4 T, higher than any graphene superconductivity, which indicates a strong-coupling superconductivity close to the Bardeen–Cooper–Schrieffer (BCS)–Bose–Einstein condensate (BEC) crossover. Our observations establish a pure carbon material for the study of topological superconductivity, with the promise to explore Majorana modes and topological quantum computing.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Mixed-dimensional stackable electronics enabled by freestanding 2D/3D materials

2D material-based devices have received great deal of attention as they can be easily stacked to obtain multifunctionality. With their ultrathin thicknesses, such multifunctioning devices become so flexible and conformal that they can be placed onto any 3D featured surfaces. However, 2D heterostructures are typically demonstrated as stacked flakes where single or few devices can be fabricated due to lack of strategies for layer-by-layer stacking of 2D materials at the wafer scale. In this talk, I will discuss about our unique strategy to isolate wafer-scale 2D materials into monolayers and stack them into a heterostructures by using a layer-resolved splitting (LRS) technique. This technique enables my group at MIT to explore unprecedented wafer-scale 2D heterodevices including integrated photonics, 3D neuromorphic computing, and microLEDs, which will be introduced in my talk. While 2D heterostructures promise interesting futuristic devices, the performance of 2D material-based devices is substantially inferior to that of conventional 3D semiconductor materials. However, 3D materials exist as their bulk form, thus it is challenging to stack them together for heterostructures. Obviously, conformal coating of such single-crystalline bulks on 3D features is impossible. My group at MIT has recently invented a 2D materials-based layer transfer (2DLT) technique that can produce single-crystalline freestanding membranes from any compound materials with their excellent semiconducting performance. This technique is based on remote epitaxy of single-crystalline films on graphene followed by peeling from graphene. Stacking of freestanding 3D material membranes will enable unprecedented 3D heterostructures whose performance is expected to be superior to that of 2D heterostructures. I will talk about our group’s effort to apply single-crystalline freestanding membranes for flexible, conformal electronics as well as for 3D heterostructures. Finally, I will conclude my talk by discussing perspectives of coupling 2D-3D freestanding membranes for 2D-3D mixed heterostructured devices that can be enabled by our LRS and 2DLT techniques.

Kim, Jeehwan↗
DOE OSTI2020

Effects of graphene surface functionalities towards controlled reinforcement of a lignin based renewable thermoplastic rubber

In this report, we describe methods to enhance mechanical properties of a renewable thermoplastic rubber by incorporating functional graphene platelets into an equal-mass mixture of lignin, a feedstock from plant biomass, and a nitrile-butadiene rubber having 41 mol % acrylonitrile content (NBR41) that form a nanocomposite. Not all lignins yield mechanically strong material when they are combined with NBR41, and thus, limit its use for such rubbery products. Here, we evaluate different graphene oxides (GO) and reduced graphene oxides (rGO) dry-powders with different surface areas, functionality, and wettability in the synthesis of performance-enhanced nanocomposites of soft lignin/NBR41 matrix via a solvent-free, high shear reactive process. High surface area GO (HSGO) platelets with strong hydrophilicity exhibit good dispersion in the multiphase lignin/NBR41 composites with lignin dispersion varying from 200 to 2000 nm, resulting in superior reinforcement over other graphene derivatives. The addition of 1–4 wt % HSGO increased the tensile stress of the lignin/NBR41 thermoplastic rubber matrix by 60–160% (15–24 MPa) and the modulus by 200–700% (60–140 MPa). Scanning electron microscopy and small angle X-ray scattering results show that the well-dispersed HSGO platelets effectively disrupt the lignin-rich aggregates in NBR41 matrix, resulting in both strength and stiffness enhancements in the formed nanocomposites. This report on performance enhancement of lignin-based renewable polymers via the production of nanocomposite would increase potential for ‘finding the value of lignin’—a grand challenge associated with modern biorefineries.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Gapless Dirac magnons in CrCl3

Abstract Bosonic Dirac materials are testbeds for dissipationless spin-based electronics. In the quasi two-dimensional honeycomb lattice of CrX 3 (X = Cl, Br, I), Dirac magnons have been predicted at the crossing of acoustical and optical spin waves, analogous to Dirac fermions in graphene. Here we show that, distinct from CrBr 3 and CrI 3 , gapless Dirac magnons are present in bulk CrCl 3 , with inelastic neutron scattering intensity at low temperatures approaching zero at the Dirac K point. Upon warming, magnon-magnon interactions induce strong renormalization and decreased lifetimes, with a ~25% softening of the upper magnon branch intensity from 5 to 50 K, though magnon features persist well above T N . Moreover, on cooling below ~50 K, an anomalous increase in the a -axis lattice constant and a hardening of a ~26 meV phonon feature are observed, indicating magnetoelastic and spin-phonon coupling arising from an increase in the in-plane spin correlations that begins tens of Kelvin above T N .

36 MATERIALS SCIENCE↗
DOE OSTI2026

Weak localization and universal conductance fluctuations in large-area twisted bilayer graphene

We study diffusive magnetotransport in highly 𝑝-doped large-area twisted bilayer graphene in 1∘, 7∘, 9∘, and 20∘ samples. All samples exhibit weak localization, from which we extract the phase coherence length and intervalley scattering lengths, and from that determine that dephasing is caused by electron-electron scattering and intervalley scattering is caused by point defects. We observe signatures of universal conductance fluctuations in the 9∘ sample, which has high mobility and is near the van Hove singularity. Further improvements in sample quality and applications to large-area moiré materials will open new avenues to observe quantum interference effects.

Talkington, Spenser [University of Pennsylvania]↗
DOE OSTI2023

Signatures of Cooper pair dynamics and quantum-critical superconductivity in tunable carrier bands

Different superconducting pairing mechanisms are markedly distinct in the underlying Cooper pair kinematics. Quantum-critical soft modes drive pairing interactions in which the pair scattering processes are highly collinear and can be classified into two categories: forward scattering and backscattering. Conversely, in conventional phonon mechanisms, Cooper pair scattering is of a generic noncollinear character. In this study, we present a method to discern the kinematic type by observing the evolution of superconductivity while adjusting the Fermi surface geometry. To demonstrate our approach, we utilize the recently reported phase diagrams of untwisted graphene multilayers. Our analysis connects the emergence of superconductivity at “ghost crossings” of Fermi surfaces in distinct valleys to the pair kinematics of a backscattering type. Together with the observed nonmonotonic behavior of superconductivity near its onset (sharp rise followed by a drop), it lends strong support to a particular quantum-critical superconductivity scenario in which pairing is driven by intervalley coherence fluctuations. These findings offer direct insights into the genesis of pairing in these systems, providing compelling evidence for the electron–electron interactions driving superconductivity. More broadly, our work highlights the potential of tuning bands via ghost crossings as a promising means of boosting superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Plasmonic Terahertz Devices and Sensors Based on Carbon Electronics

Tunable terahertz (THz) photonic devices are imperative in a wide range of applications ranging from THz signal modulation to molecular sensing. One of the currently prevailing methods is based on arrays of metallic or dielectric resonators integrated with functional materials in response to an external stimulus, in which for the purpose of sensing the external stimuli may introduce inadvertent undesirable effects into the target samples to be measured. Here we developed an alternative approach by postprocessing nanothickness macro-assembled graphene (nMAG) films with widely tunable THz conductivity, enabling versatile solid-state THz devices and sensors, showing multifunctional nMAG-based applications. The THz conductivities of free-standing nMAGs showed a broad range from 1.2 x 10 3 S/m in reduced graphene oxide before annealing to 4.0 x 10 6 S/m in a nMAG film annealed at 2800 °C. We fabricated nMAG/dielectric/metal and nMAG/dielectric/nMAG THz Salisbury absorbers with broad reflectance ranging from 0% to 80%. The highly conductive nMAG films enabled THz metasurfaces for sensing applications. Taking advantage of the resonant field enhancement arising from the plasmonic metasurface structures and the strong interactions between analyte molecules and nMAG films, we have successfully detected diphenylamine with a limit of detection of 4.2 pg. Those wafer-scale nMAG films present promising potential in high-performance THz electronics, photonics, and sensors.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Tuning Fabrication Factors for Reduced Graphene Oxide Forward Osmosis Membranes

Forward osmosis (FO) may serve as a near-zero energy approach for wastewater management and selective chemical enrichment with an appropriate FO membrane. There is a need for novel FO membranes with better physical stability, chemical compatibility, and enhanced reverse flux selectivity. In this work, we have systematically studied a variety of factors for fabricating thermally reduced graphene oxide (RGO) FO filtration membranes and have demonstrated that with a comparable water flux, the RGO membranes have an exceptionally large reverse flux selectivity with 1.5 M sodium sulfate draw solution, about 7 times larger than that of cellulose triacetate membranes under the same testing condition. The interlayer spacing of the membranes can be fine-tuned by varying temperatures, so that the free interlayer spacing is less than 0.7 nm after exposure to water. The RGO-based membranes offer a few advantages with high reverse flux selectivity, mechanical robustness with strong adhesion to nylong support membranes without damage after FO tests and tape peel tests, and enhanced chromate and chlorine resistance. Finally, we have further demonstrated that in the FO processes, one can concentrate waste brine while simultaneously harvesting the osmotic energy as electricity, offering potential applications of forward osmosis-based osmotic batteries for powering electronic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗