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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Discontinuous Galerkin methods for plasma physics in the scrape-off layer of tokamaks

A new parallel discontinuous Galerkin solver, called ArcOn, is developed to describe the intermittent turbulent transport of filamentary blobs in the scrape-off layer (SOL) of fusion plasma. The model is comprised of an elliptic subsystem coupled to two convection-dominated reaction–diffusion–convection equations. Upwinding is used for a class of numerical fluxes developed to accommodate cross product driven convection, and the elliptic solver uses SIPG, NIPG, IIPG, Brezzi, and Bassi–Rebay fluxes to formulate the stiffness matrix. A novel entropy sensor is developed for this system, designed for a space–time varying artificial diffusion/viscosity regularization algorithm. Some numerical experiments are performed to show convergence order on manufactured solutions, regularization of blob/streamer dynamics in the SOL given unstable parameterizations, long-time stability of modon (or dipole drift vortex) solutions arising in simulations of drift-wave turbulence, and finally the formation of edge mode turbulence in the scrape-off layer under turbulent saturation conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Wastepaper-derived porous carbon supported cobalt nanocomposites for all solid-state flexible supercapacitor

The conversion of wastepaper into high-value carbon materials has gained significant attention as a sustainable strategy for energy storage applications. Owing to its low cost, abundance, and intrinsic fibrous structure, wastepaper serves as an attractive precursor for carbon-based electrode materials. In this work, a novel electrode comprising cobalt nanoparticles and Co 3 O 4 embedded in wastepaper-derived porous carbon has been developed for use in a flexible all-solid-state asymmetric supercapacitor. The integration of cobalt nanoparticles and Co 3 O 4 introduces redox-active centres, which enhance the electrochemical activity of the carbon framework. Mean while, the interconnected porous and conductive carbon network enables rapid ion diffusion and efficient electron transport, synergistically improving the overall electrochemical performance. It delivers a high specific capacitance of 61.5 Fg -1 , a power density of 5143 W kg -1 , and an energy density of 9 Wh kg -1 at a current density of 2.5 A/ g. Furthermore, the device maintains outstanding cycling stability, retaining 82.86 % of its capacitance after 10,000 charge-discharge cycles. Practical applicability is confirmed through its ability to power

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Quantitative Measurements of the Temperature-Dependent Microscopic and Macroscopic Dynamics of a Molecular Dopant in a Conjugated Polymer

Understanding the nature of dopant dynamics in the solid state is critical for improving the longevity and stability of organic electronic devices and for optimizing the doping-induced solubility control (DISC) patterning method. Here in this work, we use quasi-elastic neutron scattering (QENS) and fluorescence quenching techniques to develop a comprehensive picture of both the microscopic and macroscopic dynamics of the soluble p-type molecular dopant tetrafluoromethyloxycarbonyltricyanoquinodimethane (F4MCTCNQ) in the conductive polymer poly(3-hexylthiophene-2,5-diyl) (P3HT). Specifically, fast dynamics (ps–ns) of the dopant, such as the methyl and the methoxycarbonyl group rotations, are observed in QENS experiments. From confocal fluorescence microscope experiments, longer-range/slower dopant diffusion (ms–days) is captured. However, in order to fit these data, it is necessary to incorporate a Langmuir isotherm equilibrium between the neutral and ionized dopant molecules. Ionized F4MCTCNQ is strongly favored by the equilibrium, but it diffuses 3 orders of magnitude slower than neutral species. Moreover, the macroscopic diffusion is found to depend mostly on the minority concentration of neutral dopant molecules in the film. In conclusion, the global diffusion coefficient of the monoester-substituted dopant F4MCTCNQ is shown to be more than an order of magnitude smaller than that of the widely used dopant F4TCNQ.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Comparison of the Mechanical Properties of a Conjugated Polymer Deposited Using Spin Coating, Interfacial Spreading, Solution Shearing, and Spray Coating

The mechanical properties of π-conjugated (semiconducting) polymers are a key determinant of the stability and manufacturability of devices envisioned for applications in energy and healthcare. These properties—including modulus, extensibility, toughness, and strength—are influenced by the morphology of the solid film, which depends on the method of processing. To date, the majority of work done on the mechanical properties of semiconducting polymers has been performed on films deposited by spin coating, a process not amenable to the manufacturing of large-area films. Here, we compare the mechanical properties of thin films of regioregular poly(3-heptylthiophene) (P3HpT) produced by three scalable deposition processes—interfacial spreading, solution shearing, and spray coating—and spin coating (as a reference). Our results lead to four principal conclusions. (1) Spray-coated films have poor mechanical robustness due to defects and inhomogeneous thickness. (2) Sheared films show the highest modulus, strength, and toughness, likely resulting from a decrease in free volume. (3) Interfacially spread films show a lower modulus but greater fracture strain than spin-coated films. (4) The trends observed in the tensile behavior of films cast using different deposition processes held true for both P3HpT and poly(3-butylthiophene) (P3BT), an analogue with a higher glass transition temperature. Grazing incidence X-ray diffraction and ultraviolet–visible spectroscopy reveal many notable differences in the solid structures of P3HpT films generated by all four processes. Herein, while these morphological differences provide possible explanations for differences in the electronic properties (hole mobility), we find that the mechanical properties of the film are dominated by the free volume and surface topography. In field-effect transistors, spread films had mobilities more than 1 magnitude greater than any other films, likely due to a relatively high proportion of edge-on texturing and long coherence length in the crystalline domains. Overall, spread films offer the best combination of deformability and charge-transport properties.

36 MATERIALS SCIENCE↗
DOE OSTI2017

New insights on electro-optical response of poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) film to humidity

Understanding the relative humidity (RH) response of poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) is critical for improving the stability of organic electronic devices and developing selective sensors. In this work combined gravimetric sensing, nanoscale surface probing, and mesoscale optoelectronic characterization are used to directly compare the RH dependence of electrical and optical conductivities and unfold connections between the rate of water adsorption and changes in functional properties of PEDOT:PSS film. We report three distinct regimes where changes in electrical conductivity, optical conductivity, and optical bandgap are correlated with the mass of adsorbed water. At low (RH < 25%) and high (RH > 60%) humidity levels dramatic changes in electrical, optical and structural properties occur, while changes are insignificant in mid-RH (25% < RH < 60%) conditions. We associate the three regimes with water adsorption at hydrophilic moieties at low RH, diffusion and swelling throughout the film at mid-RH, and saturation of the film by water at high RH. Optical film thickness increased by 150% as RH was increased from 9% to 80%. Low frequency (1 kHz) impedance increased by ~100% and film capacitance increased by ~30% as RH increased from 9% to 80% due to an increase in the film dielectric constant. Finally, changes in electrical and optical conductivities concomitantly decrease across the full range of RH tested.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Low-Frequency Carrier Kinetics in Perovskite Solar Cells

Hybrid organic–inorganic halide perovskite solar cells have emerged as leading candidates for third-generation photovoltaic technology. Despite the rapid improvement in power conversion efficiency (PCE) for perovskite solar cells in recent years, the low-frequency carrier kinetics that underlie practical roadblocks such as hysteresis and degradation remain relatively poorly understood. In an effort to bridge this knowledge gap, we perform here correlated low-frequency noise (LFN) and impedance spectroscopy (IS) characterization that elucidates carrier kinetics in operating perovskite solar cells. Specifically, we focus on planar cell geometries with a SnO2 electron transport layer and two different hole transport layers—namely, poly(triarylamine) (PTAA) and spiro-OMeTAD. PTAA and spiro-OMeTAD cells with moderate PCEs of 5–12% possess a Lorentzian feature at ~200 Hz in LFN measurements that corresponds to a crossover from electrode to dielectric polarization. In comparison, spiro-OMeTAD cells with high PCEs (>15%) show 4 orders of magnitude lower LFN amplitude and are accompanied by a cyclostationary process. Through a systematic study of more than a dozen solar cells, we establish a correlation with noise amplitude, PCE, and fill factor. Overall, this work establishes correlated LFN and IS as an effective methodology for quantifying low-frequency carrier kinetics in perovskite solar cells, thereby providing new physical insights that can rationally guide ongoing efforts to improve device performance, reproducibility, and stability.

14 SOLAR ENERGY↗
DOE OSTI2019

Ligand-Size Related Dimensionality Control in Metal Halide Perovskites

Low-dimensional organic–inorganic hybrid perovskites have triggered many fundamental research studies due to their intrinsic tunable photovoltaic properties, technologically relevant stability, and promising efficiency. However, there is limited information on how ligand size influences inherent structural and electronic properties of perovskites. In order to gain deeper understanding of ligand-size related structural and film properties, we fabricated a series of (L) 2 (MA) n-1 PbnI 3n+1 materials by introducing organic spacer ligands of n-CH 3 CH 2 NH 3 (EA), n-CH 3 (CH 2 ) 2 NH 3 (PA), and n-CH 3 (CH 2 ) 3 NH 3 (BA) into the three-dimensional (3D) methylammonium (MA) lead iodide (MAPbI 3 ) system with the same inorganic layer thickness (average $\langle$n$\rangle$ = 4). Here, we demonstrate that the increased number of carbon atoms on ligands affects compatibility of ligands with the 3D [PbI 6 ] 4– framework, leading to different structural dimensionality and crystal orientation, largely explaining different electronic properties, crystal stability, and the consequent device performance of solar cells. This work provides key missing information on how ligand size influences structural dimensionality and desirable electronic properties for future stable and efficient solar cells.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Atomic-Scale Characterization of Oxide Thin Films Gated by Ionic Liquid

Ionic liquids (ILs) have been considered for use in electrostatic gating in complex oxide systems. Understanding the ionic liquid/oxide interface, and any bias-induced electrochemical degradation, is critical for the interpretation of transport phenomena. The integrity of the interface between ionic liquid 1-ethyl-3-methylimidazolium hexafluorophosphate and La 1/3 Sr 2/3 FeO 3 under various biasing conditions was examined by analytical transmission electron microscopy, and we report film degradation in the form of an irreversible chemical reaction regardless of the applied bias. This results in an intermixing region of 4–6 nm at the IL/oxide interface. Electron energy loss spectroscopy shows La and Fe migration into the ionic liquid, resulting in secondary phase formation under negative bias. Our approach can be extended to other ionic liquid/oxide systems in order to better understand the electrochemical stability window of these device structures.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Origin of vertical orientation in two-dimensional metal halide perovskites and its effect on photovoltaic performance

Thin films based on two-dimensional metal halide perovskites have achieved exceptional performance and stability in numerous optoelectronic device applications. Simple solution processing of the 2D perovskite provides opportunities for manufacturing devices at drastically lower cost compared to current commercial technologies. A key to high device performance is to align the 2D perovskite layers, during the solution processing, vertical to the electrodes to achieve efficient charge transport. However, it is yet to be understood how the counter-intuitive vertical orientations of 2D perovskite layers on substrates can be obtained. Here we report a formation mechanism of such vertically orientated 2D perovskite in which the nucleation and growth arise from the liquid–air interface. As a consequence, choice of substrates can be liberal from polymers to metal oxides depending on targeted application. We also demonstrate control over the degree of preferential orientation of the 2D perovskite layers and its drastic impact on device performance.

36 MATERIALS SCIENCE↗
DOE OSTI2021

The effect of water on colloidal quantum dot solar cells

Almost all surfaces sensitive to the ambient environment are covered by water, whereas the impacts of water on surface-dominated colloidal quantum dot (CQD) semiconductor electronics have rarely been explored. Here, strongly hydrogen-bonded water on hydroxylated lead sulfide (PbS) CQD is identified. The water could pilot the thermally induced evolution of surface chemical environment, which significantly influences the nanostructures, carrier dynamics, and trap behaviors in CQD solar cells. The aggravation of surface hydroxylation and water adsorption triggers epitaxial CQD fusion during device fabrication under humid ambient, giving rise to the inter-band traps and deficiency in solar cells. To address this problem, meniscus-guided-coating technique is introduced to achieve dense-packed CQD solids and extrude ambient water, improving device performance and thermal stability. Our works not only elucidate the water involved PbS CQD surface chemistry, but may also achieve a comprehensive understanding of the impact of ambient water on CQD based electronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Calcium-mediated nitrogen reduction for electrochemical ammonia synthesis

Ammonia (NH 3 ) is a key commodity chemical for the agricultural, textile and pharmaceutical industries, but its production via the Haber–Bosch process is carbon-intensive and centralized. Alternatively, an electrochemical method could enable decentralized, ambient NH 3 production that can be paired with renewable energy. The first verified electrochemical method for NH 3 synthesis was a process mediated by lithium (Li) in organic electrolytes. So far, however, elements other than Li remain unexplored in this process for potential benefits in efficiency, reaction rates, device design, abundance and stability. In our demonstration of a Li-free system, we found that calcium can mediate the reduction of nitrogen for NH 3 synthesis. Here we verified the calcium-mediated process using a rigorous protocol and achieved an NH 3 Faradaic efficiency of 40 ± 2% using calcium tetrakis(hexafluoroisopropyloxy)borate (Ca[B(hfip) 4 ] 2 ) as the electrolyte. Our results offer the possibility of using abundant materials for the electrochemical production of NH 3 , a critical chemical precursor and promising energy vector

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Organic wastewater treatment by a single-atom catalyst and electrolytically produced H2O2

The presence of organic contaminants in wastewater poses considerable risks to the health of both humans and ecosystems. Although advanced oxidation processes that rely on highly reactive radicals to destroy organic contaminants are appealing treatment options, substantial energy and chemical inputs limit their practical applications. Here we demonstrate that Cu single atoms incorporated in graphitic carbon nitride can catalytically activate H 2 O 2 to generate hydroxyl radicals at pH 7.0 without energy input, and show robust stability within a filtration device. We further design an electrolysis reactor for the on-site generation of H 2 O 2 from air, water and renewable energy. Coupling the single-atom catalytic filter and the H 2 O 2 electrolytic generator in tandem delivers a wastewater treatment system. These findings provide a promising path toward reducing the energy and chemical demands of advanced oxidation processes, as well as enabling their implementation in remote areas and isolated communities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

Investigation of multiple roots of the resistive wall mode dispersion relation, including kinetic effects

The resistive wall mode instability in tokamak plasmas has a complex frequency which can be determined by a dispersion relation that is cubic, in general, leading to three distinct roots. A simplified model of the dispersion relation, including kinetic effects, is presented and used to explore the behavior of these roots. By changing the plasma rotation frequency, it is shown that one root has a slow mode rotation frequency (less than the inverse wall time) while the other two rotate more quickly, one leading and one lagging the plasma rotation frequency. When realistic experimental parameters from the National Spherical Torus Experiment [M. Ono et al., Nucl. Fusion 40, 557 (2000)] are used, however, only one slow rotating, near-marginal stability root is found, consistent with present experiments and more detailed calculations with the MISK code [B. Hu et al., Phys. Plasmas 12, 057301 (2005)]. Electron collisionality acts to stabilize one of the rotating roots, while ion collisionality can stabilize the other. In devices with low rotation and low collisionality, these two rotating roots may manifest themselves, but they are likely to remain stable.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Continuum modes in rotating plasmas: General equations and continuous spectra for large aspect ratio tokamaks

A theory for localized low-frequency ideal magnetohydrodynamical (MHD) modes in axisymmetric toroidal systems is generalized to take into account both toroidal and poloidal equilibrium plasma flows. The general set of equations describing the coupling of shear Alfven and slow (sound) modes and defining the continuous spectrum of rotating plasmas in axisymmetric toroidal systems is derived. The equations are applied to study the continuous spectra in large aspect ratio tokamaks. The unstable continuous modes in the case of predominantly poloidal plasma rotation with the angular velocity exceeding the sound frequency are found. Their stabilization by the shear Alfven coupling effect is studied.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Kinetic energy principle and neoclassical toroidal torque in tokamaks

It is shown that when tokamaks are perturbed, the kinetic energy principle is closely related to the neoclassical toroidal torque by the action invariance of particles. Especially when tokamaks are perturbed from scalar pressure equilibria, the imaginary part of the potential energy in the kinetic energy principle is equivalent to the toroidal torque by the neoclassical toroidal viscosity. A unified description therefore should be made for both physics. It is also shown in this case that the potential energy operator can be self-adjoint and thus the stability calculation can be simplified by minimizing the potential energy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Comment on 'Continuum modes in rotating plasmas: General equations and continuous spectra for large aspect ratio tokamaks'[Phys. Plasmas 18, 092103 (2011)]

It is shown that some of the main results of the recent paper by Lakhin and Ilgisonis [Phys. Plasmas 18, 092103 (2011)], viz. the derivation of the equations for the continuous spectra of poloidally and toroidally rotating plasmas and their special solution for large aspect ratio tokamaks with large parallel flows were obtained before by Goedbloed, Belieen, van der Holst, and Keppens [Phys. Plasmas 11, 28 (2004)]. A further rearrangement of the system of equations for the coupled Alfven and slow continuous spectra clearly exhibits: (a) coupling through a single tangential derivative, which is a generalization of the geodesic curvature; (b) the 'transonic' transitions of the equilibrium, which need to be carefully examined in order to avoid entering hyperbolic flow regimes where the stability formalism breaks down. A critical discussion is devoted to the implications of this failure, which is generally missed in the tokamak literature, possibly as a result of the wide-spread use of the sonic Mach number of gas dynamics, which is an irrelevant and misleading parameter in 'transonic' magnetohydrodynamics. Once this obstacle in understanding is removed, further application of the theory of trans-slow Alfven continuum instabilities to both tokamaks, with possible implications for the L-H transition, and astrophysical objects like 'fat' accretion disks, with a possible new route to magnetohydrodynamic turbulence, becomes feasible.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Vibration mitigation in J-TEXT far-infrared diagnostic systems

Optical structure stability is an important issue for far-infrared (FIR) phase measurements. To ensure good signal quality, influence of vibration should be minimized. Mechanical amelioration and optical optimization can be taken in turn to decrease vibration's influence and ensure acceptable measurement. J-TEXT (Joint Texal Experiment Tokamak, formerly TEXT-U) has two FIR diagnostic systems: a HCN interferometer system for electron density measurement and a three-wave polarimeter-interferometer system (POLARIS) for electron density and Faraday effect measurements. All use phase detection techniques. HCN interferometer system has almost eliminated the influence of vibration after mechanical amelioration and optical optimization. POLARIS also obtained first experimental results after mechanical stability improvements and is expected to further reduce vibration's influence on Faraday angle to 0.1 Degree-Sign after optical optimization.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2012

Drift kinetic effects on the resistive wall mode stability-Comparison between reversed field pinches and tokamaks

The physics of kinetic effects on the resistive wall mode (RWM) stability is studied, and a comparison between reversed field pinch (RFP) and Tokamak configurations is made. The toroidal, magnetohydrodynamic (MHD)-kinetic hybrid stability code MARS-K, in which the drift kinetic effects are self-consistently incorporated into the MHD formulation, is upgraded with an extensive energy analysis module. In the tokamak configuration, the kinetic effect can stabilize the mode with very slow, or vanishing plasma rotation, due to the mode resonance with the toroidal precession drift of thermal trapped particles. In RFP, instead, stabilization of the RWM comes mainly from the ion acoustic Landau damping (i.e., the transit resonance of passing particles). In the high beta region, the critical flow rotation frequency required for the mode stabilization is predicted to be in the ion acoustic range. Detailed physical analyses, based on the perturbed potential energy components, have been performed to gain understanding of the stabilizing mechanism in the two different systems.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗