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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Elucidating the water–anatase TiO 2 (101) interface structure using infrared signatures and molecular dynamics

The structure and dynamics of water on solid surfaces critically affect the chemistry of materials in ambient and aqueous environments. Here, we investigate the hydrogen bonding network of water adsorbed on the majority (101) surface of anatase TiO 2 , a widely used photocatalyst, using polarization- and azimuth-resolved infrared spectroscopy combined with neural network potential molecular dynamics simulations. Our results show that one monolayer of water saturates the undercoordinated titanium (Ti 5c ) sites, forming one-dimensional chains of molecule hydrogen bonded to surface undercoordinated bridging oxygen (O 2c ) atoms. As the coverage increases, water adsorption on O 2c sites leads to significant restructuring of the water monolayer and the formation of a two-dimensional hydrogen bond network characterized by tightly bound pairs of water molecules on adjacent Ti 5c and O 2c sites. This structural motif likely persists at ambient conditions, influencing the reactions occurring there. In conclusion, the results reported here provide critical details of the structure of the water–anatase (101) interface that were previously hypothesized but unconfirmed experimentally.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

A simplified framework for prediction of sensor network coverage in real-time structural health monitoring of plate-like structures

In this article, the coverage area prediction of piezoelectric sensor network for detecting a specific type of under-surface crack in plate-like structures is addressed. In particular, this article proposes a simplified framework to estimate the coverage of any given sensor network arrangement when a critical defect is known. Based on numerical results from finite element methods (FEM), a simplified framework to estimate coverage area of any given network arrangement is developed. Using such a simplified framework, one can avoid time-consuming procedure of evaluating numerous FEM models in estimating sensor network coverage. Back-scatter fields of partial cracks are estimated using a proposed function, whose parameters are estimated from the results of a limited number of FEM simulations. The proposed function efficiently predicts the back-scattered field of any combination of transmitters and receivers for a given crack geometry. Superposition is used to estimate the coverage area of an arbitrary piezoelectric (e.g., PZT) sensor network. It is shown that the coverage area of a sensor network depends on both sensor network geometry and defect properties (e.g., crack inclination) and it is not necessarily a linear function of the number of sensors. Furthermore, it is shown that the network arrangement has an important effect on the geometry of the coverage area. Experimental results of a network of 14 PZTs in two clusters confirm the accuracy of the method.

Engineering↗
DOE OSTI2020

Density Functional Theory Investigation of Oxidation Intermediates on Gold and Gold–Silver Surfaces

Gold and gold-silver alloys can be active and selective oxidation catalysts. Previous work has suggested that O 2 dissociation occurs at bimetallic step sites on gold-silver alloys, but the site responsible for the rest of the reaction steps has not been studied. As a first step in gaining insight into this issue, in this work we investigated the adsorption of oxygen and other oxidation intermediates on the (111) and (211) facets of gold-silver alloys using density functional theory. Oxygen and silver coverage effects were analyzed, and different model structures were compared. We also examined the energy barriers for the diffusion of atomic oxygen to gain insight into O migration and spillover. On (111) surfaces, O adsorption is much stronger at low O coverage (less than 0.22 ML), while on (211) surfaces O is strongly bound at both high and low O coverage. O diffusion across the step is faster than diffusion along the step. Ag stabilizes O, both when directly bound to it and when in an adjacent site. Ag also reduces repulsive O-O interactions at low O coverage. Our calculated reaction barriers for O-assisted CH 3 O dehydrogenation suggest that reaction is faster on steps than on terraces. Overall, our findings suggest that spillover of O from Ag-rich steps to Au-rich terraces does not occur, and that oxidation reactions on gold-silver alloys occurs on step sites. More specifically, oxidation likely occurs either on Ag-rich step sites or on Au-rich step sites that are adjacent to Ag-rich step sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2017

The Cyclone Global Navigation Satellite System (CYGNSS) - Analysis and Data Assimilation for Tropical Convection

Cyclone Global Navigation Satellite System (CYGNSS): a constellation of 8 micro-satellite observatories launched in November 2016, to measure near-surface oceanic wind speed. Main goal: To monitor surface wind fields of the Tropical Cyclones' inner core, including regions beneath the intense eye wall and rain bands that could not previously be measured from space; Cover 38 deg S -38 deg N with unprecedented temporal resolution and spatial coverage, under all precipitating conditions Low flying satellite: Pass over ocean surface more frequently than one large satellite. A median(mean) revisit time of 2.8(7.2) hrs.

CYGNSS↗
DOE OSTI2020

Copper Electrodeposition from Deep Eutectic Solvents—Voltammetric Studies Providing Insights into the Role of Substrate: Platinum vs Glassy Carbon

We report on the effect of the substrate on electrochemical deposition of Cu from deep eutectic solvent ethaline. We investigated the polarization behavior during electrodeposition of Cu on Pt and glassy carbon (GC) from both Cu 2+ and Cu + containing ethaline using cyclic voltammetry (CV). Formation of bulk Cu deposits on both substrates underwent nucleation and growth processes; however, the nucleation was considerably sluggish on GC compared to Pt. While experiments in Cu+ solutions indicated that coalescence of Cu islands on Pt is a slow process and that its surface may not be fully covered by Cu, such determination of Cu coverage could not be made on GC. Cu dissolution is also slower from GC than from Pt. It was observed that CV of Cu deposition on GC is influenced by the surface preparation method. Since ethaline has high chloride concentration, a parallel study in aqueous 3 M NaCl solution was conducted in order to examine the influence of the chloride medium on the electrodeposition process. Lastly, this revealed that electrodeposition in both media occurred in the same manner but with different charge and mass transfer rates caused by the differences in viscosity and chloride concentrations of the two solutions.

25 ENERGY STORAGE↗
DOE OSTI2021

Probing adsorbates on La1-xSrxNiO3-d surfaces under humid conditions: implications for the oxygen evolution reaction

Earth-abundant nickel-containing perovskite oxides (ANiO3) are highly active materials for the oxygen evolution reaction (OER). The strong nickel-oxygen (Ni-O) covalency, tunable by A-site chemical substitution, contributes to both bulk and surface material properties like the formation of oxygen vacancies (????••) and OER activity. Here we quantify the coverage of OER relevant adsorbates on a series of La1-xSrxNiO3-d (LSNO, 0 = x = 0.5) epitaxial thin films exposed to humid environments by ambient pressure X-ray photoelectron spectroscopy (AP-XPS). While all LSNO film compositions investigated here have comparable hydroxide coverages at the relative humidities (RHs) probed (1.5 x 10-5 – 0.2 %RH), the amount of under-coordinated surface oxygen increases notably with Sr content. We interpret differences in the free energy of adsorption (?Gads,i) of these OER intermediates, inferred from adsorption isotherms, in the context of proposed ????••-mediated OER mechanisms, consistent with the pH-dependent OER activity observed here for LSNO. We find that Sr incorporation enhances the affinity of LSNO surfaces for these under-coordinated oxygen species, in line with calculations in the literature.

Rare-earth nickelates, ambient pressure-X-ray phot↗
DOE OSTI2020

When do hydrocarbons dewet metal surfaces? The case of coronene on Cu(111)

Here, we have used scanning tunneling microscopy and density functional theory calculations to study molecular layers of coronene on Cu(111). The structure and stability of these layers is determined by the balance between coronene-substrate and coronene-coronene interactions. Here, we characterize this balance by measuring the maximum coverage before coronene dewets the substrate to form three-dimensional islands. We find that coronene molecules lie parallel to the substrate at the maximum coverage, in contrast to previous observations of tilted coronene on metal surfaces. We attribute this previously reported tilt to a metastability caused by an activation barrier to nucleate three-dimensional islands.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Enhanced Catalysis under 2D Silica: A CO Oxidation Study

Abstract Interfacially confined microenvironments have recently gained attention in catalysis, as they can be used to modulate reaction chemistry. The emergence of a 2D nanospace at the interface between a 2D material and its support can promote varying kinetic and energetic schemes based on molecular level confinement effects imposed in this reduced volume. We report on the use of a 2D oxide cover, bilayer silica, on catalytically active Pd(111) undergoing the CO oxidation reaction. We “uncover” mechanistic insights about the structure–activity relationship with and without a 2D silica overlayer using in situ IR and X‐ray spectroscopy and mass spectrometry methods. We find that the CO oxidation reaction on Pd(111) benefits from confinement effects imposed on surface adsorbates under 2D silica. This interaction results in a lower and more dispersed coverage of CO adsorbates with restricted CO adsorption geometries, which promote oxygen adsorption and lay the foundation for the formation of a reactive surface oxide that produces higher CO 2 formation rates than Pd alone.

Eads, Calley N.↗
NASA NTRS1982

Mars - Near-infrared spectral reflectance of surface regions and compositional implications

Both morphological and compositional information are needed to define and characterize surface geologic units on Mars. A description is presented of new, near-infrared spectra (0.65 to 2.50 micrometers) for 11 regions on the Martian surface observed in 1978. The high photometric quality of these data combined with increased near-infrared spectral coverage provide new information about the spectral behavior and, therefore, the composition and physical nature of Martian surface materials. The spectral reflectances were obtained with the aid of a 2.2-m telescope located on Mauna Kea, Hawaii. A cooled (to 77 K) circular variable filter spectrometer with an InSb detector was used to measure alternatively Mars and the standard star Beta Geminorum. Attention is given to general spectral characteristics, the dark region composition, spectral evidence for water, and the 2.3 micrometer absorption.

Mccord, T. B.↗
NASA NTRS2001

Cloud Macro- and Microphysical Properties Derived from GOES over the ARM SGP Domain

Cloud macrophysical properties like fractional coverage and height Z(sub c) and microphysical parameters such as cloud liquid water path (LWP), effective droplet radius r(sub e), and cloud phase, are key factors affecting both the radiation budget and the hydrological cycle. Satellite data have been used to complement surface observations from Atmospheric Radiation Measurements (ARM) by providing additional spatial coverage and top-of-atmosphere boundary conditions of these key parameters. Since 1994, the Geostationary Operational Environmental Satellite (GOES) has been used for deriving at each half-hour over the ARM Southern Great Plains (SGP) domain: cloud amounts, altitudes, temperatures, and optical depths as well as broadband shortwave (SW) albedo and outgoing longwave radiation at the top of the atmosphere. A new operational algorithm has been implemented to increase the number of value-added products to include cloud particle phase and effective size (r(sub e) or effective ice diameter D(sub e)) as well as LWP and ice water path. Similar analyses have been performed on the data from the Visible Infrared Scanner (VIRS) on the Tropical Rainfall Measuring Mission satellite as part of the Clouds and Earth's Radiant Energy System project. This larger suite of cloud properties will enhance our knowledge of cloud processes and further constrain the mesoscale and single column models using ARM data as a validation/initialization resource. This paper presents the results of applying this new algorithm to GOES-8 data taken during 1998 and 2000. The global VIRS results are compared to the GOES SGP results to provide appropriate context and to test consistency.

Minnis, P.↗
DOE OSTI2024

Investigation of the cesium activation of Ga⁢N photocathodes by low-energy electron microscopy

Low-energy electron microscopy (LEEM) was performed on p-Ga⁢N samples during in situ cesium deposition. LEEM images of electron reflectivity recorded as a function of the incident electron energy at different Cs coverages allowed to spatially resolve the evolution of the local work function (WF) during the activation process. While the average WF drops by more than 3 eV, the local WF remains quite uniform across the surface throughout the activation process. Maximum fluctuations of less than 0.2 eV were observed in the WF maps for Cs coverage of a fraction of a monolayer. These fluctuations are mainly related to the surface topography, in particular, to the atomic steps’ structure, which replicates the substrate miscut. Apart from these weak spatial fluctuations, no Cs clusters that would induce strong local WF contrast were observed at the scale of the 20-nm resolution of the measurements. These observations agree with the simple model of semiconductor activation to negative electron affinity that describes the formation of a dipole layer as responsible for the lowering of the WF. Additionally, at complete Cs coverage, the WF becomes fully homogeneous over the surface, smoothing out features originating from defects and topography.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2012

The HYSPIRI Decadal Survey Mission: Update on the Mission Concept and Science Objectives for Global Imaging Spectroscopy and Multi-Spectral Thermal Measurements

The NASA HyspIRI mission is planned to provide global solar reflected energy spectroscopic measurement of the terrestrial and shallow water regions of the Earth every 19 days will all measurements downlinked. In addition, HyspIRI will provide multi-spectral thermal measurements with a single band in the 4 micron region and seven bands in the 8 to 12 micron region with 5 day day/night coverage. A direct broadcast capability for measurement subsets is also planned. This HyspIRI mission is one of those designated in the 2007 National Research Council (NRC) Decadal Survey: Earth Science and Applications from Space. In the Decadal Survey, HyspIRI was recognized as relevant to a range of Earth science and science applications, including climate: "A hyperspectral sensor (e.g., FLORA) combined with a multispectral thermal sensor (e.g., SAVII) in low Earth orbit (LEO) is part of an integrated mission concept [described in Parts I and II] that is relevant to several panels, especially the climate variability panel." The HyspIRI science study group was formed in 2008 to evaluate and refine the mission concept. This group has developed a series of HyspIRI science objectives: (1) Climate: Ecosystem biochemistry, condition & feedback; spectral albedo; carbon/dust on snow/ice; biomass burning; evapotranspiration (2) Ecosystems: Global plant functional types, physiological condition, and biochemistry including agricultural lands (3) Fires: Fuel status, fire frequency, severity, emissions, and patterns of recovery globally (4) Coral reef and coastal habitats: Global composition and status (5) Volcanoes: Eruptions, emissions, regional and global impact (6) Geology and resources: Global distributions of surface mineral resources and improved understanding of geology and related hazards These objectives are achieved with the following measurement capabilities. The HyspIRI imaging spectrometer provides: full spectral coverage from 380 to 2500 at 10 nm sampling; 60 m spatial sampling with a 150 km swath; and fully downlinked coverage of the Earth's terrestrial and shallow water regions every 19 days to provide seasonal cloud-free coverage of the terrestrial surface. The HyspIRI Multi-Spectral Thermal instrument provides: 8 spectral bands from 4 to 12 microns; 60 m spatial sampling with a 600 km swath; and fully downlinked coverage of the Earth's terrestrial shallow water regions every 5 days (day/night) to provide nominally cloud-free monthly coverage. The HyspIRI mission also includes an on-board processing and direct broadcast capability, referred to as the Intelligent Payload Module (IPM), which will allow users with the appropriate antenna to download a subset of the HyspIRI data stream to a local ground station. These science and science application objectives are critical today and uniquely addressed by the combined imaging spectroscopy, thermal infrared measurements, and IPM direct broadcast capability of HyspIRI. Two key objectives are: (1) The global HyspIRI spectroscopic measurements of the terrestrial biosphere including vegetation composition and function to constrain and reduce the uncertainty in climate-carbon interactions and terrestrial biosphere feedback. (2) The global 8 band thermal measurements to provide improved constraint of fire related emissions. In this paper the current HyspIRI mission concept that has been reviewed and refined to its current level of maturity with a Data Products Symposium, Science Workshop and NASA HWorkshop is presented including traceability between the measurements and the science and science application objectives.

Green, Robert O.↗
DOE OSTI2025

Selective Isolation of Surface Grain Boundaries by Oxide Dielectrics Improves Cd(Se,Te) Device Performance

Cd(Se,Te) photovoltaics (PV) are the most widely deployed thin-film solar technology globally, yet continued efficiency improvements are stymied by challenges at the device hole contacts. The inclusion of solution-processed oxide layers such as AlGaO x in the contact stack has yielded improved device open-circuit voltages (V OC ) and fill factors (FF). However, contradictory mechanisms by which these layers improve the device properties have been proposed by the research community. We demonstrate in this work that an underappreciated property of such spin-coated layers is the preferential deposition at grain boundaries, a process that isolates the grain boundaries during contact metallization. The effects of grain-boundary isolation are probed by varying the coverage of solution-processed AlGaO x “barrier” layers on the Cd(Se,Te) surface, quantified by scanning Auger microscopy. Examining coverage-dependent V OC and FF, it was observed that isolating the grain boundaries during metallization is sufficient to prevent damage to the absorber that occurs in devices lacking a barrier layer, while additional coverage contributes to the increased series resistance. Such an effect is agnostic to the material used as a barrier layer, as long as the material does not itself damage the absorber. Spin-coated SiO x was used in place of AlGaO x for an equally beneficial effect. This grain-boundary isolation phenomenon is also observed during Mo deposition and in absorbers that have been contacted with a nitrogen-doped ZnTe layer. The mechanisms by which metallization may degrade the absorber are discussed, as are contact design strategies leveraging barrier layers, which may lead to improved device efficiencies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2015

Flight Testing Surfaces Engineered for Mitigating Insect Adhesion on a Falcon HU-25C

Insect residue contamination on aircraft wings can decrease fuel efficiency in aircraft designed for natural laminar flow. Insect residues can cause a premature transition to turbulent flow, increasing fuel burn and making the aircraft less environmentally friendly. Surfaces, designed to minimize insect residue adhesion, were evaluated through flight testing on a Falcon HU-25C aircraft flown along the coast of Virginia and North Carolina. The surfaces were affixed to the wing leading edge and the aircraft remained at altitudes lower than 1000 feet throughout the flight to assure high insect density. The number of strikes on the engineered surfaces was compared to, and found to be lower than, untreated aluminum control surfaces flown concurrently. Optical profilometry was used to determine insect residue height and areal coverage. Differences in results between flight and laboratory tests suggest the importance of testing in realistic use environments to evaluate the effectiveness of engineered surface designs.

Shanahan, Michelle↗
DOE OSTI2020

Single electron–hole pair sensitive silicon detector with surface event discrimination

Here, we demonstrate single electron-hole pair resolution in a single-sided, contact-free 1 cm$^2$ by 1 mm thick Si crystal operated at 48 mK, with a baseline energy resolution of 3 eV. This crystal can be operated at voltages in excess of $\pm50$ V, resulting in a measured charge resolution of 0.06 electron-hole pairs. The high aluminum coverage ($\sim$70%) of this device allows for the discrimination of surface events and separation of events occurring near the center of the detector from those near the edge. We use this discrimination ability to show that dark events seen in previous detectors of a similar design are likely dominated by charge leakage along the side wall of the device. We saw only a small reduction in dark event rate with this biasing scheme, further suggesting that sidewall and edge-dominated processes are responsible for the majority of these events.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Methanol adsorption and dissociation on GaP(110) studied by ambient pressure X-ray photoelectron spectroscopy

Ambient pressure X-ray photoelectron spectroscopy (AP-XPS) was used to investigate methanol (CH 3 OH) adsorption and reaction on the GaP(110) surface. Exposure of CH 3 OH to GaP(110) at room temperature led to the formation of at least four different surface species as indicated by analysis of C 1s and O 1s XPS features. By combining AP-XPS data with density functional theory calculations, the surface species were identified as methoxy (CH 3 O*), formaldehyde (CH 2 O*), and paired methanol (p-CH 3 O*H) and methoxy (p-CH 3 O*) species, where “paired” means that they belong to a hydrogen-bonded methoxy-methanol complex. Asterisk * here indicates an adsite. The formation of CH 2 O* via the dehydrogenation of CH 3 O* was shown to be limited by the availability of vacant phosphorus (P) sites on GaP(110). With an increase in CH 3 OH pressure, the fractional coverage of CH 3 O* species reached 0.55, and the surface P sites were completely saturated with hydrogen. Under a constant CH 3 OH pressure of 0.5 Torr, the surface concentration of the paired species and of CH 2 O* remained constant until 400 K. At higher temperatures, thermally driven reactions led to a significant increase in the concentration of surface CH x * species, which suggests that C-O bond cleavage of the CH 3 O group is the dominant decomposition mechanism on GaP(110). In conclusion, based on the reactivity of GaP(110) toward CH 3 OH dehydrogenation, elevated temperatures and CH 3 OH pressures may be used to functionalize this surface.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Gold-in-copper at low *CO coverage enables efficient electromethanation of CO 2

The renewable-electricity-powered CO 2 electroreduction reaction provides a promising means to store intermittent renewable energy in the form of valuable chemicals and dispatchable fuels. Renewable methane produced using CO 2 electroreduction attracts interest due to the established global distribution network; however, present-day efficiencies and activities remain below those required for practical application. Here we exploit the fact that the suppression of *CO dimerization and hydrogen evolution promotes methane selectivity: we reason that the introduction of Au in Cu favors *CO protonation vs. C-C coupling under low *CO coverage and weakens the *H adsorption energy of the surface, leading to a reduction in hydrogen evolution. We construct experimentally a suite of Au-Cu catalysts and control *CO availability by regulating CO 2 concentration and reaction rate. This strategy leads to a 1.6× improvement in the methane:H 2 selectivity ratio compared to the best prior reports operating above 100 mA cm -2 . We as a result achieve a CO 2 -to-methane Faradaic efficiency (FE) of (56 ± 2)% at a production rate of (112 ± 4) mA cm -2 .

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

Mapping the global distribution of C 4 vegetation using observations and optimality theory

Plants with the C 4 photosynthesis pathway typically respond to climate change differently from more common C 3 -type plants, due to their distinct anatomical and biochemical characteristics. These different responses are expected to drive changes in global C 4 and C 3 vegetation distributions. However, current C 4 vegetation distribution models may not predict this response as they do not capture multiple interacting factors and often lack observational constraints. Here, we used global observations of plant photosynthetic pathways, satellite remote sensing, and photosynthetic optimality theory to produce an observation-constrained global map of C 4 vegetation. We find that global C 4 vegetation coverage decreased from 17.7% to 17.1% of the land surface during 2001 to 2019. This was the net result of a reduction in C 4 natural grass cover due to elevated CO 2 favoring C 3 -type photosynthesis, and an increase in C 4 crop cover, mainly from corn (maize) expansion. Using an emergent constraint approach, we estimated that C 4 vegetation contributed 19.5% of global photosynthetic carbon assimilation, a value within the range of previous estimates (18–23%) but higher than the ensemble mean of dynamic global vegetation models (14 ± 13%; mean ± one standard deviation). Our study sheds insight on the critical and underappreciated role of C 4 plants in the contemporary global carbon cycle.

54 ENVIRONMENTAL SCIENCES↗