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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Probing lithium mobility at a solid electrolyte surface

Abstract Solid-state electrolytes overcome many challenges of present-day lithium ion batteries, such as safety hazards and dendrite formation 1,2 . However, detailed understanding of the involved lithium dynamics is missing due to a lack of in operando measurements with chemical and interfacial specificity. Here we investigate a prototypical solid-state electrolyte using linear and nonlinear extreme-ultraviolet spectroscopies. Leveraging the surface sensitivity of extreme-ultraviolet-second-harmonic-generation spectroscopy, we obtained a direct spectral signature of surface lithium ions, showing a distinct blueshift relative to bulk absorption spectra. First-principles simulations attributed the shift to transitions from the lithium 1 s state to hybridized Li- s /Ti- d orbitals at the surface. Our calculations further suggest a reduction in lithium interfacial mobility due to suppressed low-frequency rattling modes, which is the fundamental origin of the large interfacial resistance in this material. Our findings pave the way for new optimization strategies to develop these electrochemical devices via interfacial engineering of lithium ions.

25 ENERGY STORAGE↗
DOE OSTI2022

BODIPY and dipyrrin as unexpected robust anchoring groups on TiO 2 nanoparticles

Covalent attachment of molecules to metal oxide surfaces typically demands the presence of an anchoring group that in turn requires synthetic steps to introduce. BODIPY (4,4-difluoro-4-bora-3a,4a-diaza-s-indacene) chromophores have long been used in dye-sensitized solar cells, but carboxylic acid groups typically had to be installed to act as surface anchors. We now find that even without the introduction of such anchors, the unmodified BODIPY can bind to TiO 2 surfaces via its BF 2 group through boron–oxygen surface bonds. Dipyrrin, the parent molecule of BODIPY, is also capable of binding directly to TiO 2 surfaces, likely through its chelating nitrogen atoms. These binding modes prove to be even more robust than that of an installed carboxylate and offer a new way to attach molecular complexes to surfaces for (photo)catalytic applications since, once bound, we show that surface bound BODIPY and dipyrrin derivatives exhibit ultrafast photoinjection of electrons into the conduction band of TiO 2 .

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

Probing the surface chemistry for reverse water gas shift reaction on Pt(1 1 1) using ambient pressure X-ray photoelectron spectroscopy

Using ambient pressure XPS (APXPS), we explored carbon dioxide (CO 2 ) adsorption and CO 2 hydrogenation on Pt(1 1 1) single crystal surface to observe the activation of CO 2 and the subsequent reaction mechanism. In pure CO 2 , we observed CO adsorbates and adsorbed oxygen on Pt(1 1 1) derived from CO 2 dissociation at room temperature. The introduction of H 2 (at a pressure ratio of 1:1 (H 2 :CO 2 )) increased the production of CO across all temperatures by facilitating the removal of surface oxygen. As a consequence, the surface could expose sites that could then be utilized for producing CO. Under these conditions, the reverse water–gas shift (RWGS) reaction was observed starting at 300 °C. At higher H 2 partial pressure (10:1 (H 2 :CO 2 )), the RWGS reaction initiated at a lower temperature of 200 °C and continued to enhance the conversion of CO 2 with increasing temperatures. Our results revealed that CO 2 was activated on a clean Pt(1 1 1) surface through the dissociation mechanism to form adsorbed CO and O at room temperature and at elevated temperatures. Introducing H 2 facilitated the RWGS as adsorbed oxygen was consumed continuously to form H 2 O, and adsorbed CO desorbed from the surface at elevated temperatures. This work clearly provides direct experimental evidence for the surface chemistry of CO 2 dissociation and demonstrates how hydrogen impacts the RWGS reaction on a platinum surface.

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

Plasmon-Assisted Direct Interfacial Charge Transfer Enables Molecular Photodissociation on Metal Surfaces

Plasmonic photocatalysis is promising for driving reactions out of equilibrium, leading to enhanced rates and selectivity, but the energy and charge transfer mechanism at the interface remains to be explored. Here, we revisit visible-light plasmon-assisted photodissociation of dimethyl disulfide molecules (S–S bond cleavage) over single-crystalline silver and copper surfaces, using density functional theory calculations and the delta self-consistent field method. We investigate different excitation mechanisms and show that the direct intramolecular excitations, as suggested earlier to explain the experimental findings, cannot address the observed catalytic bond activation. Instead, the calculated excitations mediated by the metal Fermi level agree well with the threshold energy and maximum-yield energy in experiments and suggest that the reaction follows a direct interfacial charge transfer mechanism. Furthermore, we show that the excitation energy and the charge transfer can be modulated by introducing excess charges in the systems. Here, this study thus provides a fundamental understanding of interfacial charge transfer for driving plasmonic photocatalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Influence of Lake Ice Biases in Reanalysis Data on Downscaled Climate Simulations over the Great Lakes Region

This data package contains observation-based and model-simulated datasets (all provided in NetCDF format) for evaluating how wintertime lake-ice representation affects regional weather and climate over the Laurentian Great Lakes (freshwater lake ecosystem) during the high–ice-cover winter of 2009. The observational component includes: (1) Stage IV gridded precipitation at 4 km, hourly resolution for January–February 2009 over the Great Lakes region (radar–gauge multisensor precipitation analyses); (2) Great Lakes Surface Environmental Analysis (GLSEA) satellite-derived lake-ice coverage at 1.3 km, daily resolution for the 2009 winter months, providing ice coverage over Lakes Superior, Michigan, Huron, Erie, and Ontario; and (3) in situ measurements at the Standard Rock site on Lake Superior from the Great Lakes Evaporation Network (GLEN) at hourly resolution, including near-surface atmospheric variables and sensible and latent heat fluxes (air–lake exchange) at a fixed point location. The modeling component provides corresponding fields from two simulations, both archived at 4 km, hourly resolution: a standalone Weather Research Forecasting model (WRF) run driven by the European Centre for Medium-Range Weather Forecasts (ECMWF) Reanalysis 5 (ERA5), and a two-way coupled model using WRF and the Finite Volume Community Ocean Model (WRF-FVCOM, a 3-D hydrodynamic lake model). These outputs include variables relevant to air–lake interaction and lake-effect processes (e.g., near-surface temperature, humidity, wind, precipitation, and surface turbulent fluxes), enabling direct comparison with the observational datasets. Users can analyze and visualize these NetCDF files with common tools such as Python (e.g., xarray, netCDF4, numpy, pandas), NCO/CDO, Panoply, or ncview; NetCDF variables can also be converted to other formats (e.g., CSV, GeoTIFF) using these utilities.

EARTH SCIENCE > ATMOSPHERE > ATMOSPHERIC TEMPERATU↗
DOE OSTI2021

Development of a cell surface display system in Chlamydomonas reinhardtii

Cell-surface display systems are biotechnological techniques used to express heterologous proteins on the cell surface. Their application depends directly on the cell system used, as well as on the anchoring point for the surface displayed protein. To meet most application demands an inexpensive, safe, and scalable production platform, that reduces the economic barriers for large scale use is needed. Toward this goal, we screened three possible cell surface anchoring points in the green algae Chlamydomonas by fusing mVenus to prospective anchors moieties. The vectors harboring mVenus:anchor were screened for mVenus fluorescence and tested for cellular localization by confocal laser scanning microscopy. This strategy allowed the identification of two functional anchors, one for the cytoplasmic membrane using the MAW8 GPI-anchor signal, and one for the cell wall using the GP1 protein. We also exploited GP1 chemical and biological traits to release the fused proteins efficiently during cell wall shedding. Our work provides a foundation for surface engineering of C reinhardtii supporting both cell biology studies and biotechnology applications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Progress on the National Solar Radiation Data Base (NSRDB): A New DNI Computation

This study introduces a new technique to compute direct normal irradiance (DNI) for improving the National Solar Radiation Data Base (NSRDB). A finite-surface integration algorithm is developed to compute solar radiation in differential solid angles and efficiently infer its contribution to a surface perpendicular to the solar direction. A lookup table of cloud bi-directional transmittance distribution function (BTDF) is developed by use of the discrete ordinates radiative transfer (DISORT) model for possible solar and observing directions and various cloud optical and microphysical properties. In each solar incident direction, DNI is given by the cloud BTDFs from approximately 200 differential solid angles. The simulated DNI is calibrated and evaluated using surface observations at the National Renewable Energy Laboratory's (NREL's) Solar Energy Research Laboratory (SRRL) and the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) facility.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2024

Creating microfluidic channels functionalized with micro- and nano-scale features via femtosecond laser surface processing

We demonstrate the ability to create functionalized microfluidic channels using femtosecond laser surface processing (FLSP). FLSP is an emerging advanced manufacturing technology used to modify the surface properties of materials directly and permanently by producing self-organized quasi-periodic micro- and nano-scale surface features along with surface and subsurface chemical and grain structure changes. We demonstrate on Hastelloy X that by controlling the laser fluence and pulse count, the depth of the microchannels and height of the FLSP microstructures within the microchannels can be controlled independently.

Ultrashort pulse laser applications, micro- and na↗
DOE OSTI2020

Artificial linear brush abrasion of coatings for photovoltaic module first-surfaces

Natural soiling and the subsequent necessary cleaning of photovoltaic (PV) modules result in abrasion damage to the cover glass. The durability of the front glass has important economic consequences, including determining the use of anti-reflective and/or anti-soiling coatings as well as the method and frequency of operational maintenance (cleaning). Artificial linear brush abrasion using Nylon 6/12 bristles was therefore examined to explore the durability of representative PV first-surfaces, i.e., the surface of a module incident to direct solar radiation. Specimens examined include silane surface functionalized-, roughened (etched)-, porous silica-coated-, fluoropolymer-coated-, and ceramic (TiO 2 or ZrO 2 /SiO 2 /ZrO 2 /SiO 2 )-coated-glass, which are compared to monolithic-poly(methyl methacrylate) and -glass coupons. Characterization methods used in this study include: optical microscopy, ultraviolet–visible–near-infrared (UV-VIS-NIR) spectroscopy, sessile drop goniometry, white-light interferometry, atomic force microscopy (AFM), and depth-profiling X-ray photoelectron spectroscopy (XPS). The corresponding characteristics examined include: surface morphology, transmittance (i.e., optical performance), surface energy (water contact angle), surface roughness, scratch width and depth, and chemical composition, respectively. The study here was performed to determine coating failure modes; identify characterization methods that can detect nascent failures; compare the durability of popular contemporary coating materials; identify their corresponding damage characteristics; and compare slurry and dry-dust abrasion. This study will also aid in developing an abrasion standard for the PV industry.

14 SOLAR ENERGY↗
DOE OSTI2024

Topological surface states of semimetal TaSb 2

Topological surface states, protected by the global symmetry of the materials, are the keys to understanding various novel electrical, magnetic, and optical properties. TaSb 2 is a newly discovered topological material with unique transport phenomena, including negative magnetoresistance and resistivity plateau, whose microscopic understanding is yet to be reached. In this study, we investigate the electronic band structure of TaSb 2 using angle-resolved photoemission spectroscopy and density functional theory. Our analyses reveal distinct bulk and surface states in TaSb 2 , providing direct evidence of its topological nature. Notably, surface states predominate the electronic contribution near the Fermi level, while bulk bands are mostly located at higher binding energies. Our study underlines the importance of systematic investigations into the electronic structures of topological materials, offering insights into their fundamental properties and potential applications in future technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Resistivity of Surface Steps in Bulk-Insulating Topological Insulators

Electron transport in topological insulators usually involves both topologically protected surface states and trivial electronic states in the bulk material. The surface transport is particularly interesting; however, it is also susceptible to atomic defects on the surfaces, such as vacancies, impurities, and step edges. Experimental determination of scattering effects of these surface defects requires both nanoscale spatial resolution and the ability to decipher surface transport from bulk transport. Here we directly measure the resistivity of individual surface steps in the surface dominating transport process of topological insulator Bi 2 Te 2 Se. A variable probe-spacing transport spectroscopy with a multiprobe scanning tunneling microscope is used to differentiate the surface conductance from bulk conductance, allowing the identification of a surface dominant transport regime. The technique also reveals a deviation from ideal 2D transport at atomic steps. Then, a multi-probe scanning tunneling potentiometry is employed to visualize the electrochemical potentials across individual step edges. A quantitative analysis of the potential distributions enables us to acquire a resistivity of 0.530 mΩ · cm for the one quintuple-layer atomic step. The result indicates that atomic defects, despite preserving the time-reversal symmetry, can still significantly affect the transport in topological insulators.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Artificial Linear Brush Abrasion of Coatings for Photovoltaic Module First Surfaces

Natural soiling and the subsequent requisite cleaning of photovoltaic (PV) modules result in abrasion damage to the cover glass. The durability of the front glass has important economic consequences, including determining the use of anti-reflective and/or anti-soiling coatings as well as the method and frequency of operational maintenance (cleaning). Artificial linear brush abrasion using Nylon 6/12 bristles was therefore examined to explore the durability of representative PV first-surfaces, i.e., the surface of a module incident to direct solar radiation. Specimens examined include silane surface functionalized-, roughened (etched)-, porous silica-coated-, fluoropolymer-coated-, and ceramic (TiO2 or ZrO2/SiO2/ZrO2/SiO2)-coated-glass, which are compared to monolithic-poly(methyl methacrylate) and -glass coupons. Characterization methods used in this study include: optical microscopy, ultraviolet-visible-near-infrared (UV-VIS-NIR) spectroscopy, sessile drop goniometry, white-light interferometry, atomic force microscopy (AFM), and depth-profiling X-ray photoelectron spectroscopy (XPS). The corresponding characteristics examined include: surface morphology, transmittance (i.e., optical performance), surface energy (water contact angle), surface roughness, scratch width and depth, and chemical composition, respectively. The study here was performed to determine coating failure modes; identify characterization methods that can detect nascent failures; compare the durability of popular contemporary coating materials; identify their corresponding damage characteristics; and compare slurry and dry-dust abrasion. This study will also aid in developing an abrasion standard for the PV industry.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2023

Cooling assembly for a turbine assembly

A cooling assembly includes a coolant chamber disposed inside an airfoil of a turbine assembly that directs coolant inside the airfoil. The airfoil extends between a leading edge and a trailing edge along an axial length of the airfoil. Inlet cooling channels are fluidly coupled with the coolant chamber and direct the coolant in a direction toward a trailing edge chamber of the airfoil. The trailing edge chamber is fluidly coupled with at least one inlet cooling channel. The trailing edge chamber is disposed at the trailing edge of the airfoil and includes an inner surface. The inlet cooling channels direct at least a portion of the coolant in a direction toward the inner surface of the trailing edge chamber. One or more outlet cooling channels direct at least a portion of the coolant in one or more directions away from the trailing edge chamber.

Rathay, Nicholas William↗
DOE OSTI2021

Large aperture and durable glass-engraved optical metasurfaces using nanoparticle etching masks: prospects and future directions

Abstract Metasurfaces (MSs), or surfaces consisting of engineered spatially oriented sub-wavelength elements—also known as meta-atoms—are quickly becoming a burgeoning field of interest due to their seemingly unparalleled control over the propagation of light. This article will discuss the emergence of a MS technology that is based on dewetting thin metal films to form dry etching masks for MS fabrication. The novelty this process presents is the ability to spatially vary mask features—which translates into spatially varying index of the finished surface—in a way that, rather than writing subwavelength elements one-by-one, writes entire areas at once to provide a route to easily scale the process up to meter-sized optics. Glass-engraved MSs have shown to be laser damage resistant, with damage thresholds close to the parent substrate damage thresholds. Furthermore, these surfaces have proven to be mechanically durable and capable of handling normal loads two orders of magnitude higher than that of an average fingerprint pressure. This indicates that accidental handling contact is not detrimental to the MS optical performance. Also discussed are the foreseeable technological challenges, potential solutions for those obstacles, and some currently unexplored directions for future efforts.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Out of the Lab: 3D Printing on Non-Ideal Surfaces

In this work, coaxial direct ink writing is utilized to print sensitive or encapsulated materials onto heterogeneous and rough substrates. By enclosing the core fluid within a rigid ceramic shell, continuity is maintained even when printing on substrates traditionally considered challenging. This work presents the development of a coaxial ceramic direct ink writing system and investigates co-flow dynamics through microfluidic principles. A specially designed coaxial nozzle enables the co-extrusion of an alumina shell, with indium-tin-oxide inks serving as the core material. This approach allows the fabrication of core-shell ceramic structures suitable for future high-temperature applications on rough surfaces. The colloidal inks are tailored to achieve the necessary rheological properties and sintering performance. Additionally, flow simulations, guided by microfluidic co-flow principles, are employed to define the processing parameters for coaxial printing, ensuring precise control over the core-shell architectures. Physical modeling is further applied to study core deformation and eccentricity. These simulations are experimentally validated, supporting the successful deposition of coaxial ceramic features on heterogeneous, high-temperature ceramic substrates.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2023

Design of a Two-Body Wave Energy Converter Featuring Controllable Geometry

While the field of wave energy has been the subject of numerical simulation, scale model testing, and precommercial project testing for decades, wave energy technologies remain in the early stages of development and must continue to prove themselves as a promising modern renewable energy field. A wave energy converter (WEC) concept currently being explored is the variable-geometry WEC (VGWEC), which aims to add an extra control option to WEC design. VGWECs attempt to incorporate controllable geometric features to adjust the floating body hydrodynamics to favor either power absorption, load shedding, or other operational goals. These variable geometry components have been proposed to be controlled on a sea-state-to-sea-state or wave-to-wave time scale depending on the force (or torque) and bandwidth limitations of the actuators required to manipulate just the controllable geometric hull features. Having control over both the WEC geometry components and the power takeoff (PTO) offers the potential to improve overall system performance and reliability if a cost-effective solution can be found for a given WEC architecture. This paper will present the recent developments and results of a VGWEC concept that incorporates variable-geometry modules into a two-body WEC. In the proposed VGWEC concept, the variable-geometry modules consist of air-inflatable bags in the surface float and a water inflatable ring in the subsurface body. The surface float is tethered directly to the subsurface body through tether lines, each connected to a separate PTO. Adjusting the geometry of both the surface and subsurface bodies along with the PTO coefficients can maximize power in design sea states while reducing motion response and PTO forces when transitioning to sea states where rated power is reached and load shedding is prioritized. The ability to transition between operating condition is expected to increase the sea state operational map and power capacity.

geometry control↗
DOE OSTI2023

Design of a Two-Body Wave Energy Converter Featuring Controllable Geometry: Preprint

While the field of wave energy has been the subject of numerical simulation, scale model testing, and precommercial project testing for decades, wave energy technologies remain in the early stages of development and must continuing proving themselves as a promising modern renewable energy field. A wave energy converter (WEC) concept, currently being explored, is hoping to add an extra control option to WEC design is the variable-geometry WEC (VGWEC). These VGWECs attempt to incorporate controllable geometric features to adjust the floating body hydrodynamics to favor either power absorption, load shedding, or other operational goals. These variable geometry components have been proposed to be controlled on a sea-state-to-sea-state or wave-to-wave time scale depending on the force (or toque) and bandwidth limitations of the actuators required to manipulate just the controllable geometric hull features. The opportunities of having control over both the WEC geometry components and the power-take-off (PTO) have the potential to improve overall system performance and reliability if a cost-effective solution can be found for a given WEC architecture. This paper will present the recent developments and results of a VGWEC concept that incorporates variable geometry modules into a two-body WEC. In the proposed VGWEC concept, the variable geometry modules consist of air inflatable bags in the surface float and a water inflatable ring in the subsurface body. The surface float is tethered directly to the subsurface body through tether lines each connected to a separate PTO. Adjusting the geometry of both the surface and subsurface bodies along with the PTO coefficients can be shown to maximize power in design sea states while reducing motion response and PTO forces when transitioning to sea states where rated power is reached and load shedding is prioritized in hopes of increasing the sea state operational map.

geometry control↗