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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Local Rearrangement in Adsorption Layers of Nanoconfined Ethane

Fluids under nanoconfinement control many environmental and engineering processes. In particular, nanoconfined ethane commonly occurs in hydrocarbon production and gas separation applications. While previous research has measured the pore critical properties and self-diffusivity of nanoconfined ethane, the relationship between molecular organization and phase behavior in nanoporous media persists as a knowledge gap. Through experimental adsorption measurements and molecular dynamics simulations, we report the impact of pore wall proximity, pore size, and temperature on the structure of nanoconfined ethane. Finally, we offer evidence for an energetically favorable rearrangement of ethane molecules in the adsorption layer that may contribute to more accurate gas-in-place estimates and more efficient design of gas separation membranes.

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

High-Throughput Uniformity and Defect Monitoring in Low-Temperature Electrolysis Porous Transport Layers Using X-Ray Radiography

Effective quality control (QC) for manufacturing proton exchange membrane water electrolysis (PEMWE) components is critical to enabling widespread adoption of the technology for hydrogen generation. This study investigates X-ray radiography as a novel, high-throughput, potentially in-line QC technique for detecting defects and assessing material property distributions in titanium-based porous transport layers (PTLs) which constitute a crucial component of low temperature PEMWE stacks. We obtain radiographs of a set of fifteen PTLs and model their absorbance of the broadband radiation as a second-order polynomial to account for the non-monoenergetic radiation source used in this study. The resulting model serves as a basis for predicting the areal density and porosity distributions of the PTLs. We find radiography successful in detecting multiple instances of defects, including holes/depressions, cracks, and excess material on the surface or in the pores of the material, demonstrating its potential as a robust in-line QC tool for PTL manufacturing.

08 HYDROGEN↗
DOE OSTI2022

Turbulence and Control of Wind Farms

The dynamics of the turbulent atmospheric boundary layer play a fundamental role in wind farm energy production, governing the velocity field that enters the farm as well as the turbulent mixing that regenerates energy for extraction at downstream rows. Understanding the dynamic interactions among turbines, wind farms, and the atmospheric boundary layer can therefore be beneficial in improving the efficiency of wind farm control approaches. Anticipated increases in the sizes of new wind farms to meet renewable energy targets will increase the importance of exploiting this understanding to advance wind farm control capabilities. This review discusses approaches for modeling and estimation of the wind farm flow field that have exploited such knowledge in closed-loop control, to varying degrees. We focus on power tracking as an example application that will be of critical importance as wind farms transition into their anticipated role as major suppliers of electricity. The discussion highlights the benefits of including the dynamics of the flow field in control and points to critical shortcomings of the current approaches.

Automation & Control Systems↗
DOE OSTI2021

Templated Growth and Passivation of Vertically Oriented Antimony Selenide Thin Films for High-Efficiency Solar Cells in Substrate Configuration

Antimony selenide (Sb 2 Se 3 ) is a promising low-cost photovoltaic material with a 1D crystal structure. The grain orientation and defect passivation play a critical role in determining the performance of polycrystalline Sb 2 Se 3 thin-film solar cells. In this work, a seed layer is introduced on a molybdenum (Mo) substrate to template the growth of a vertically oriented, columnar Sb 2 Se 3 absorber layer by closed space sublimation. By controlling the grain orientation and compactness of the Sb 2 Se 3 seeds, obtain high-quality Sb 2 Se 3 absorber layers with passive Sb 2 Se 3 /Mo interfaces is obtained, which in turn improve the transport of photoexcited charge carriers through the absorber layer and its interfaces. Post-deposition annealing of absorber layers in ambient air is further utilized to passivate the defects in Sb 2 Se 3 and enhance the quality of the front heterojunction. As a result of systematic processing optimization, Sb 2 Se 3 planar heterojunction solar cells are fabricated in substrate configuration with a champion power conversion efficiency of 8.5%.

14 SOLAR ENERGY↗
DOE OSTI2020

Dynamic Microgrids in Resilient Distribution Systems With Reconfigurable Cyber-Physical Networks

Modern distribution systems energized by inverter-interfaced distributed generators (DGs) operate as coupled cyber-physical networks (C/P-networks), where the controllable components in the physical network (P-network) are coordinated through the cyber network (C-network). The concept of dynamic microgrids (MGs) operation has been adopted to enable distribution system autonomous operation with varying electric boundaries. To further enhance system operation resiliency and flexibility, dynamic MGs operation with reconfigurable C/P-networks is discussed in this work. An evaluation framework is proposed to assess the operational feasibility of distribution feeders with multiple inverter-based dynamic MGs and come out with possible restoration solutions in the context of cross-layer C/P-network reconfiguration. Furthermore, distributed controllers are developed for components with different operating characteristics to realize seamless system topology variations and provide coordinated secondary regulation in various operation modes. Furthermore, the proposed evaluation framework along with the developed distributed controller has been validated using a Hardware-in-the-Loop (HIL) real-time CPS testbed.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Nickel particle–enabled width-controlled growth of bilayer molybdenum disulfide nanoribbons

Transition metal dichalcogenides exhibit a variety of electronic behaviors depending on the number of layers and width. Therefore, developing facile methods for their controllable synthesis is of central importance. We found that nickel nanoparticles promote both heterogeneous nucleation of the first layer of molybdenum disulfide and simultaneously catalyzes homoepitaxial tip growth of a second layer via a vapor-liquid-solid (VLS) mechanism, resulting in bilayer nanoribbons with width controlled by the nanoparticle diameter. Simulations further confirm the VLS growth mechanism toward nanoribbons and its orders of magnitude higher growth speed compared to the conventional noncatalytic growth of flakes. Width-dependent Coulomb blockade oscillation observed in the transfer characteristics of the nanoribbons at temperatures up to 60 K evidences the value of this proposed synthesis strategy for future nanoelectronics.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Interlayer Triplet Energy Transfer in Dion-Jacobson 2D Perovskites Containing Naphthalene Diammonium Cations

The ability to tune the heterojunction energy level alignment in layered 2D perovskites is well documented, with both early works and more recent studies reporting interfacial triplet energy transfer in certain pairings of lead halide with small conjugated organic spacer cations. Such 2D perovskites are promising systems for sensitized molecular phosphorescence, which has varied applications in optoelectronics, solar energy conversion, and more. However, even for a given organic cation core, variations in the cation structure (e.g. location of the ammonium substituent, length of the alkyl linker, and valency of the cation) can dramatically alter the organic layer morphology and electronic coupling between the inorganic and organic layers. While interlayer triplet energy transfer has been studied in Ruddlesden-Popper 2D perovskites containing monovalent naphthalene cations, the photophysical properties of their Dion-Jacobson analogue, formed using divalent naphthalene cations, have not been reported. In this study, we examine interlayer energy transfer in a series of mixed-halide 2D perovskites formed by divalent naphthalene cations. We find that the sensitized phosphorescence in these compounds is dominated by naphthalene triplet excimer emission, but when the lead halide exciton level is tuned near resonance with the triplet level of naphthalene, emission from the naphthalene triplet monomer competes with triplet excimer formation. Interlayer energy transfer in these compounds is further supported by ultrafast transient absorption spectroscopy. Ultimately, the ability to gain control over interlayer interactions in layered 2D perovskites through cation design will help uncover new functions and applications for these materials.

2D↗
DOE OSTI2022

Relation between interfacial shear and friction force in 2D materials

Understanding the interfacial properties between an atomic layer and its substrate is of key interest at both the fundamental and technological levels. From Fermi level pinning to strain engineering and superlubricity, the interaction between a single atomic layer and its substrate governs electronic, mechanical and chemical properties. Here, we measure the hardly accessible interfacial transverse shear modulus of an atomic layer on a substrate. By performing measurements on bulk graphite, and on epitaxial graphene films on SiC with different stacking orders and twisting, as well as in the presence of intercalated hydrogen, we find that the interfacial transverse shear modulus is critically controlled by the stacking order and the atomic layer–substrate interaction. Importantly, we demonstrate that this modulus is a pivotal measurable property to control and predict sliding friction in supported two-dimensional materials. The experiments demonstrate a reciprocal relationship between friction force per unit contact area and interfacial shear modulus. As a result, the same relationship emerges from simulations with simple friction models, where the atomic layer– substrate interaction controls the shear stiffness and therefore the resulting friction dissipation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Changes in the C-terminal, N-terminal, and histidine regions of amelogenin reveal the role of oligomer quaternary structure on adsorption and hydroxyapatite mineralization

Adsorption interactions between amelogenin and calcium phosphate minerals are believed to be important to amelogenin’s function in enamel formation, however, the role of specific amino acid residues and domains within the protein in controlling adsorption is not well known. We synthesized “mechanistic probes” by systematically removing charged regions of amelogenin in order to elucidate their roles. The probes included amelogenin without the charged residues in the N-terminus (SEKR), without two, three, or eight histidines (H) in the central protein region (H2, H3, H8), or without the C-terminal residues (Delta). In-situ atomic force microscopy (AFM) adsorption studies onto hydroxyapatite (HAP) single crystals confirmed that the C-terminus was the dominant domain in promoting adsorption. We propose that subtle changes in protein-protein interactions for proteins with histidines and N-terminal residues removed resulted in changes in the oligomer quaternary size and structure that also affected protein adsorption. HAP mineralization studies revealed that the oligomer-HAP binding energy and protein layer thickness were factors in controlling the amorphous calcium phosphate (ACP) to HAP induction time. Our studies with mechanistic probes reveal the importance of the oligomer quaternary structure in controlling amelogenin adsorption and HAP mineralization.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Vibration induced active rheology control for 3D concrete printing

3D concrete printing, an emerging automation technology for construction, requires the concrete to be flowable during pumping and extrusion but firm immediately after layer deposition. This study investigated an active rheology control using vibration to achieve these opposing requirements. The effects of vibration frequency and acceleration on rheological parameters of concrete were studied with different levels of nanoparticles in the mix. It was found that extrusion pressure and yield stress show less sensitivity to the peak velocity of the vibration up to a certain level and then they both decrease beyond this level. Also, certain level of nanoparticles inclusion found to double the reduction in extrusion pressure and yield stress. Buildability studies using 3D printers were conducted to demonstrate the active rheology control using vibration. The mechanical properties of the printed structures were also found to have improved when vibration rheology control was used.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Electrolyte-phobic Surface for the Next-Generation Nanostructured Battery Electrodes

Nanostructured electrodes are among the most important candidates rationally designed to enable high capacity battery chemistry. Nanostructures can solve issues such as the volume change and mechanical fragmentations. However, the high surface area they usually possess would decrease the Coulombic efficiencies, since the side chemical reactions scale with surface area. Moreover, electrodes comprised of nanomaterials have significant intakes of liquid electrolytes, which reduces the overall energy density and increases the cost of the battery. Here we present a new strategy of limiting effective surface area by introducing an “electrolyte-phobic surface”. In this study, a porous Si anode functions as a model material to demonstrate this concept. Silicon boasts high theoretical capacity, but experiences large volume change during its lithiation and delithiation processes. Porous Si can address this volume change problem with the buffer effect of its inner pores. However, porous silicon shows low initial Coulombic efficiencies and high irreversible lithium loss, owing to its intrinsic high surface area. In this report, a covalently linked perfluorinated surface coating layer on porous Si particles serves as an electrolyte-phobic protection layer, minimizing the accessible surface area for the electrolytes, decreasing the side reactions between the electrolyte and Si surface, and thus significantly enhancing the initial Coulombic efficiencies, up to ~88% compared to ~60% for the pristine porous silicon. Meanwhile, the electrolyte-phobic protection layer of Si particles keeps the silicon surface compatible with the conventional polyvinylidene fluoride (PVDF) binder, which helps to stabilize the Si electrode for long-term battery cycling.

Qian, Chenxi↗
DOE OSTI2021

Controlled exposure of CuO thin films through corrosion-protecting, ALD-deposited TiO 2 overlayers

Ultra-thin film coatings are used to protect semiconductor photoelectrodes from the harsh chemical environments common to photoelectrochemical energy conversion. These layers add contact transfer resistance to the interface that can result in a reduction of photoelectrochemical energy conversion efficiency of the photoelectrode. Here, we describe the concept of a partial protection layer, which allows for direct chemical access to a small fraction of the semiconductor underlayer for further functionalization by an electrocatalyst. The rest of the interface remains protected by a stable, inert protection layer. CuO is used as a model system for this scheme. Atomic layer deposition (ALD)-prepared TiO 2 layers on CuO thin films prepared from electrodeposited Cu 2 O allow for the control of interfacial morphology to intentionally expose the CuO underlayer. The ALD-TiO 2 overlayer shrinks during crystallization, while Cu 2 O in the underlayer expands during oxidation. As a result, the TiO 2 protection layer cracks to expose the oxidized underlying CuO layer, which can be controlled by preceding thermal oxidation. Furthermore, this work demonstrates a potentially promising strategy for the parallel optimization of photoelectrochemical interfaces for chemical stability and high performance.

14 SOLAR ENERGY↗
DOE OSTI2022

System and method for repeated metal deposition-dewetting steps to form a nano-particle etching mask producing thicker layer of engraved metasurface

A method and system is disclosed for creating an optical component having a spatially controlled refractive index and uniform anti-reflective layer. The method may involve alternately depositing and dewetting two or more thin metal material layers on the substrate to form a mask having a spatially varying nano-particle distribution, and with an increased thickness beyond what could be achieved using a single, thick layer of the same material. The substrate may then be etched, using the mask, to imprint a spatially patterned nanostructure pattern on a surface the substrate in accordance with the mask.

Feigenbaum, Eyal↗
DOE OSTI2020

Tunable graphene-based infrared reflectance filter having patterned nanoantenna layer and unpatterned graphene layer

An actively tunable optical filter can control the amplitude of reflected infrared light. The filter exploits the dependence of the excitation energy of plasmons in a continuous and unpatterned sheet of graphene, on the Fermi-level, which can be controlled by conventional electrostatic gating. An exemplary filter enables simultaneous modification of two distinct spectral bands whose positions are dictated by the device geometry and graphene plasmon dispersion. Within these bands, the reflected amplitude can be varied by over 15% and resonance positions can be shifted by over 90 cm−1. Electromagnetic simulations verify that tuning arises through coupling of incident light to graphene plasmons by a nanoantenna grating structure. Importantly, the tunable range is determined by a combination of graphene properties, device structure, and the surrounding dielectrics, which dictate the plasmon dispersion. Thus, the underlying design is applicable across a broad range of infrared frequencies.

Beechem, III, Thomas Edwin↗
DOE OSTI2020

Guided plasma jets directed onto wet surfaces: angular dependence and control

The optimal use of atmospheric pressure plasma jets (APPJs) for treatment of surfaces—inorganic, organic and liquid—depends on being able to control the flow of plasma-generated reactive species onto the surface. The typical APPJ is a rare gas mixture (RGM) flowed through a tube to which voltage is applied, producing an RGM plasma plume that extends into the ambient air. The RGM plasma plume is guided by a surrounding shroud of air due to the higher electric field required for an ionization wave (IW) to propagate into the air. Additionally, the mixing of the ambient air with the RGM plasma plume then determines the production of reactive oxygen and nitrogen species (RONS). The APPJ is usually oriented perpendicular to the surface being treated. However, the angle of the APPJ with respect to the surface may be a method to control the production of reactive species to the surface due to the change in APPJ propagation properties and the resulting gas dynamics. In this paper, we discuss results from computational and experimental investigations addressing two points—propagation of IWs in APPJs with and without a guiding gas shroud as a function of angle of the APPJ with respect to the surface; and the use of this angle to control plasma activation of thin water layers. We found that APPJs propagating out of the plasma tube into a same-gas environment lack any of the directional properties of shroud-guided jets, and largely follow electric field lines as the angle of the plasma tube is changed. Guided APPJs propagate coaxially with the tube as the angle is changed, and turn perpendicularly towards the surface only a few mm above the surface. The angle of the APPJ produces different gas dynamic distributions, which enable some degree of control over the content of RONS transferred to thin water layers.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

A Pseudo Planar Heterojunction Structure for Eco‐Friendly Printable Organic Solar Cells Achieving 19.05% Efficiency

Abstract Obtaining a well‐accurate vertical distribution active layer morphology through the air‐printing process is an essential task for achieving efficient scalable large‐area organic solar cells (OSCs). In this target, the desired and controllable pseudo planar heterojunction (PPHJ) active layer structure with suitable phase separation is developed by pre‐deposited D18‐Cl layer under the PM6:BTP‐eC9 film via an eco‐friendly manufacturing method. The addition of the D18‐Cl regulates molecular crystallization and leads to an ideal vertical stratification while simultaneously suppressing voltage loss, optimizing energetic disorder, and carrier management. Impressively, the optimal PPHJ devices perform superior power conversion efficiencies (PCEs) of 19.05% (100 nm), 17.33% (300 nm), and 14.14% (4 cm 2 ) compared to the BHJ devices. Importantly, the PPHJ OSCs also exhibit an impressive extrapolated T 80 (the time required to reach 80% of initial PCE) of long‐time storage and operational stability, as well as thermal stability.

Chemistry↗