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At least 109 records · Page 6

Nickel Speciation and Methane Dry Reforming Performance of Ni/Ce x Zr 1-x O 2 Prepared by Different Synthesis Methods

Herein, ceria–zirconia-supported Ni catalysts (Ni/Ce 0.83 Zr 0.17 O 2 or Ni/CZ) are prepared by dry impregnation, strong electrostatic adsorption, coprecipitation (CP), and combustion synthesis (CS). The nature and abundance of Ni species in these samples are characterized by X-ray adsorption spectroscopy, temperature-programmed reduction, and CO chemisorption. The bulk synthesis methods (i.e., CP and CS) produce Ni cations that are incorporated into the CZ lattice forming mixed-metal oxides with Ni 3+ species at low Ni content. The formation of mixed-metal oxides increases the reducibility of CZ and increases the abundance of active surface oxygen. All NiO/CZ catalysts are active for methane dry reforming and retain some of their activity at a steady state. The initial methane conversion correlates linearly with the fraction of accessible Ni after reduction. The predominant path of catalyst deactivation strongly depends on the structure of the catalyst and, thus, on the synthesis method used. All catalysts experience agglomeration of Ni particles under reaction conditions. Improving the Ni dispersion to isolated species embedded in a support does not improve resistance to Ni particle growth. Coke formation is inversely related to the concentration of active surface oxygen. The dominant deactivation mechanism for catalysts made by CS is the encapsulation of Ni particles by the support.

03 NATURAL GAS↗

Preliminary catalog of pictures taken on the lunar surface during the Apollo 16 mission

A catalog of all pictures taken from the lunar module or the lunar surface during the Apollo 16 lunar stay is presented. The tabulations are arranged for the following specific uses: (1) given the number of a particular frame, find its location in the sequence of lunar surface activity, the station from which it was taken and the subject matter of the picture; (2) given a particular location or activity within the sequence of lunar surface activity, find the pictures taken at that time and their subject matter; and (3) given a sample number from the voice transcript listed, find the designation assigned to the same sample by the lunar receiving laboratory.

Batson, R. M.↗

Olefin metathesis over supported MoO x catalysts: influence of the oxide support

Here, a series of supported MoO x catalysts on different oxide supports (Al2O3, TiO2, ZrO2, SiO2) were synthesized and investigated for propylene metathesis, characterized with in situ spectroscopies (DRIFTS, Raman, UV-vis) and chemically probed with propylene-TPSR-MS, propylene-TPSR-IR, and ethylene/2-butene titration. Under dehydrated conditions at monolayer coverage or maximum surface dispersion, the surface MoO x sites are present as a mixture of isolated di-oxo (O=) 2 Mo(–O–Al) 2 and oligomeric mono-oxo O=Mo(–O–Al) 4/5 sites on Al 2 O 3 , primarily oligomeric mono-oxo O=Mo(–O–Ti) 4/5 on TiO 2 , isolated di-oxo (O=) 2 Mo(–O–Zr) 2 and oligomeric mono-oxo O=Mo(–O–Zr) 4/5 on ZrO 2 , and isolated di-oxo (O=) 2 Mo(–O–Si) 2 on SiO 2 . The bridged (S 2 -OH) and tri-coordinated (S 3 -OH) anchoring surface hydroxyls of the oxide supports with strong support cation electronegativity control the activation and number of active surface MoO x sites at low temperatures (<100 °C). The isolated anchoring surface hydroxyls (S-OH) of the oxide supports with strong support cation electronegativity control the activation and number of active surface MoO x sites at high temperatures (>350 °C). Olefin metathesis by the more redox active supported MoO x /TiO 2 and MoO x /ZrO 2 catalysts is retarded by the formation of stable surface acetone and acetate species that block olefin adsorption. The oxide supports are potent ligands that tune the activation and surface chemistry of the surface MoOx sites for olefin metathesis. This is the first time that the influence of oxide supports on the activation and surface chemistry of supported MoO x sites has been systematically examined.

02 PETROLEUM↗

Extracting meaningful standard enthalpies and entropies of activation for surface reactions from kinetic rates

While analyses based on the Arrhenius kinetic model have been successfully applied since its introduction, the Arrhenius model neglects to describe pre-exponential factor in a scientifically meaningful fashion. Since the 1930s, transition-state theory (TST), has met with success in interpreting the pre-exponential factor’s value, allowing a standard entropy of activation to be estimated. However, analyses based on TST’s assumptions have been applied inconsistently in the literature, particularly in corrosion science, leading to difficulty in comparison of standard entropy of activations from different studies. In this work, the foundational principles of TST and standard states are discussed and a standard method to apply TST in analyzing rates of surface reactions is recommended. When full details are not available, reacting species’ concentrations should be normalized to the concentration of active surface sites. For corrosion reactions, conversion relationships are given to convert from units of corrosion rate to surface reaction rate, consistent with TST. This method is dubbed a surface reactant equi-density approximation. Application of this standard to reported data results in adjustments of the standard entropy of activation between - 65 and +50 J/mol K and brings reported entropies into a narrower range of values.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Origin of amphiphilic molecules and their role in primary structure formation

Attempts to solve two fundamental questions are described: the first concerns which mechanisms were responsible for the self-assembly of membrane structures on the prebiotic Earth, and the second concerns the routes by which considerable amounts of membrane amphiphiles formed from simpler hydrocarbons. The physicochemical properties of several amphiphilic compounds extracted from the Murchison carbonaceous chondrite were studied, using infra-red and fluorescent spectroscopy, measurements of surface activity, chromato-mass spectrometry, and polarization and electron microscopy. The results supported previous observations that amphiphilic and aromatic hydrocarbons were present in significant quantities, and the first demonstration of surface activity among a number of acidic derivatives of hydrocarbons is reported. In addition, one fraction of the surface-active compounds can form bilayer structures, showing that membranes could have self-assembled on the prebiotic Earth. Photochemical oxidation of hydrocarbons is shown to be a likely source of the amphiphilic molecules required for the self-assembly of primary membrane structures.

NASA Discipline Number 52-20↗

Discovery and observation of BY Draconis variables

The discovery of BY Draconis variables was efficiently accomplished by a spectroscopic survey of dK-M stars for weak H-alpha emissions, using 1-2 A resolution. The four BY Dra variables discovered are all spectroscopic binaries with P values lower than about 10 d, in light of which, it is noted that the onset of high surface activity and appearance of H-alpha emission occur sharply at v(equator) of approximately 5 km/sec. At v(equator) of about 3 km/sec, dK-M stars have low levels of surface activity. It is found that while there is a range of Ca II emission strength, and only the strongest emitters of this line are BY Dra and/or flare stars, the H-alpha feature changes abruptly to an emission feature signaling the onset of flaring and/or the BY Dra syndrome. An increase of the rotation rate above v(equator) 5 km/sec does not appear to increase the level of surface activity.

Bopp, B. W.↗

Amphiphilic Baskets for Supramolecular Nanoarchitectures at Interfaces: Inverted Monolayer Formation on Water

Interfacial chemistry of molecular baskets remains poorly understood despite their promise for supramolecular applications of detection and sequestration of toxic molecules including those of illicit drugs, organophosphorus compounds, and anticancer agents. We present a fundamental investigation of the interfacial behavior of three amphiphilic supramolecular baskets (ASB 4, 8, and 12), having increasingly longer yet linear alkyl chains at the top of their bowl-shaped cavity. The studies were completed at the air−water interface to elucidate surface activity, interfacial stability, self-assembly, and monolayer organization that drive inverted monolayer formation, in which the molecular arms orient toward the aqueous phase in a configuration opposite to that typically observed for lipids. Herein, surface pressure−area isotherms of ASB 4, 8, 12, deposited on a water surface, were performed in tandem with nonequilibrium relaxation experiments to quantify surface activity, thermodynamic stability, and monolayer compressibility of the baskets’ monolayer assembly. Brewster angle microscopy enabled direct visualization of morphological evolution, aggregation, and packing at the interface. We show that systematic extension of the hydrocarbon arms, from four to 12 methylene groups, progressively modifies intermolecular packing, drives distinct two-dimensional aggregation pathways, and increases number densities at the air−water interface. Atomistic molecular dynamics simulations corroborate many of these experimentally observed trends and provide mechanistic detail on the cooperative roles of basket topology and interfacial concentration in regulating the hydration structure and dynamics within the cavities generated by surface-adsorbing baskets, consistent with observed variations in surface activity and packing. Our results establish how the topology of these unique supramolecules and their concentration govern interfacial organization and offer a rational framework for designing amphiphiles with predictable behavior at soft interfaces.

Hydrocarbons↗

Correlation between oxygen evolution reaction activity and surface compositional evolution in epitaxial La 0.5 Sr 0.5 Ni 1– x Fe x O 3– δ thin films

Water electrolysis can use renewable electricity to produce green hydrogen, a portable fuel and sustainable chemical precursor. Improving electrolyzer efficiency hinges on the activity of the oxygen evolution reaction (OER) catalyst. Earth-abundant, ABO 3 -type perovskite oxides offer great compositional, structural, and electronic tunability, with previous studies showing compositional substitution can increase the OER activity drastically. However, the relationship between the tailored bulk composition and that of the surface, where OER occurs, remains unclear. Here, we study the effects of electrochemical cycling on the OER activity of La 0.5 Sr 0.5 Ni 1– x Fe x O 3– δ ( x = 0–0.5) epitaxial films grown by oxide molecular beam epitaxy as a model Sr-containing perovskite oxide. In this work, electrochemical testing and surface-sensitive spectroscopic analyses show Ni segregation, which is affected by electrochemical history, along with surface amorphization, coupled with changes in OER activity. Our findings highlight the importance of surface composition and electrochemical cycling conditions in understanding OER performance, suggesting common motifs of the active surface with high surface area systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

In situ high-harmonic microscopy of a nanostructured solid

Nanostructured optical surfaces allow exquisite control over linear and nonlinear light interactions, where the surface actively creates new frequencies up to high-order harmonics of an intense infrared driving laser field. The function and performance of these surfaces depend sensitively on the distribution of the high-harmonic fields in and between the nanostructured elements, as the high-harmonic wavelength becomes comparable to the nanoscale features of the surface. Imaging the nonlinear response at the active surface with nanometer resolution would greatly benefit the optimization of the metasurface's function. Here we demonstrate an approach to lensless imaging of extreme ultraviolet high harmonics that resolves the amplitude and phase of nonlinear polarization at the active nanostructured surface of an MgO crystal. Imaging the near-field distribution of high harmonics is the gateway to optimized functional high-harmonic metasurfaces and the integration of high harmonics on a chip.

36 MATERIALS SCIENCE↗

An H-alpha survey of southern hemisphere active chromosphere stars

Because of the variety of extraordinary phenomena exhibited by active chromosphere objects, discovery of new, bright surface-active stars is of considerable importance. Ca II emission is a well-known signature of chromospheric activity, serving even as one of the points of definition of the class of RS CVn binary stars. In connection with the present investigation, spectroscopic observations of 27 Ca II emission stars have been conducted. The observations make it possible to identify unambiguously the most chromospherically active stars in the sample. By observing the H-alpha line, rather than H and K, it is possible to distinguish nine of these stars which are likely to be observational targets as interesting as the extremely surface active objects V711 Tau or FK Com. Of the 27 stars surveyed, two (HD 86005, HD 204128) showed H-alpha as an emission feature above continuum, with estimated equivalent width 1-2 A.

Bopp, B. W.↗

Characterization of atrial natriuretic peptide degradation by cell-surface peptidase activity on endothelial cells

Atrial natriuretic peptide (ANP) is a fluid-regulating peptide hormone that promotes vasorelaxation, natriuresis, and diuresis. The mechanisms for the release of ANP and for its clearance from the circulation play important roles in modulating its biological effects. Recently, we have reported that the cell surface of an endothelial cell line, CPA47, could degrade 125I-ANP in the presence of EDTA. In this study, we have characterized this degradation of 125I-ANP. The kinetics of ANP degradation by the surface of CPA47 cells were first order, with a Km of 320 +/- 60 nM and Vmax of 35 +/- 14 pmol of ANP degraded/10 min/10(5) cells at pH 7.4. ANP is degraded by the surface of CPA47 cells over a broad pH range from 7.0-8.5. Potato carboxypeptidase inhibitor and bestatin inhibited 125I-ANP degradation, suggesting that this degradative activity on the surface of CPA47 cells has exopeptidase characteristics. The selectivity of CPA47 cell-surface degradation of ANP was demonstrated when 125I-ANP degradation was inhibited in the presence of neuropeptide Y and angiotensin I and II but not bradykinin, bombesin, endothelin-1, or substance P. The C-terminal amino acids phe26 and tyr28 were deduced to be important for ANP interaction with the cell-surface peptidase(s) based on comparison of the IC50 of various ANP analogues and other natriuretic peptides for the inhibition of ANP degradation. These data suggest that a newly characterized divalent cation-independent exopeptidase(s) that selectively recognizes ANP and some other vasoactive peptides exists on the surface of endothelial cells.

NASA Discipline Regulatory Physiology↗

Computational Study of Oxidative Etch Pitting in FiberForm and the Effect on Its Material Properties

Erosion of carbon due to oxidation does not occur uniformly but through the formation of localized etch pits because of active surface sites. These active sites are formed due to the presence of atomic defects on the carbon surface, and have much higher reactivity compared to average non-defective sites. Thus, these active sites are first to react during ablation, resulting in their removal. This causes all the neighboring atoms to be defective and increase their reactivity, thus leading to the localized carbon removal around these “active” sites. In this manner, these highly reactive defective sites serve as nucleation sites for the formation and growth of etch pits with potentially detrimental effects on the structural integrity. In order to understand the influence of these etch pits on the material properties of carbon fiber microstructures, we have developed a new capability within direct simulation Monte Carlo (DSMC) to capture the etch pit formation process. This capability is developed within the DSMC code SPARTA (Stochastic PArallel Rarefied-gas Time-accurate Analyzer) and can model the material removal in presence of active sites leading to the formation of etch pits. The focus of the current work will be to study the effect of etch pits on the material properties of FiberForm, a commonly used base material within many thermal protection system materials (TPS). The microstructure of virgin FiberForm obtained directly from X-ray microtomography experiments is used within SPARTA to obtain the ablated geometries with etch pits. These pitted microstructures are then imported within the Porous Microstructure Analysis (PuMA) software and various material properties such as elasticity, thermal conductivity, and permeability are computed. The variation of these properties as a result of the complex evolution of the surface topology due to etch pit formation is studied and analyzed. Furthermore, the effect of pitting is compared to the case of shrinking fibers, which has been the standard for modelling ablation of carbon structures; and significant differences are observed. Thus, such a physically realistic modeling of material removal through the formation of etch pits will be helpful in predicting the degradation of carbon-based TPS more accurately during oxidation; as well as other mechanisms such as spallation, which involves the removal of chunks of material into the flow due to etch pit growth. This will ultimately improve our understanding of the failure modes in these materials due to ablation.

Carbon Ablators↗

Computational Study of Oxidative Etch Pitting in FiberForm and the Effect on Its Material Properties

Erosion of carbon due to oxidation does not occur uniformly but through the formation of localized etch pits because of active surface sites. These active sites are formed due to the presence of atomic defects on the carbon surface, and have much higher reactivity compared to average non-defective sites. Thus, these active sites are first to react during ablation, resulting in their removal. This causes all the neighboring atoms to be defective and increase their reactivity, thus leading to the localized carbon removal around these “active” sites. In this manner, these highly reactive defective sites serve as nucleation sites for the formation and growth of etch pits with potentially detrimental effects on the structural integrity. In order to understand the influence of these etch pits on the material properties of carbon fiber microstructures, we have developed a new capability within direct simulation Monte Carlo (DSMC) to capture the etch pit formation process. This capability is developed within the DSMC code SPARTA (Stochastic PArallel Rarefied-gas Time-accurate Analyzer) and can model the material removal in presence of active sites leading to the formation of etch pits. The focus of the current work will be to study the effect of etch pits on the material properties of FiberForm, a commonly used base material within many thermal protection system materials (TPS). The microstructure of virgin FiberForm obtained directly from X-ray microtomography experiments is used within SPARTA to obtain the ablated geometries with etch pits. These pitted microstructures are then imported within the Porous Microstructure Analysis (PuMA) software and various material properties such as elasticity, thermal conductivity, and permeability are computed. The variation of these properties as a result of the complex evolution of the surface topology due to etch pit formation is studied and analyzed. Furthermore, the effect of pitting is compared to the case of shrinking fibers, which has been the standard for modelling ablation of carbon structures; and significant differences are observed. Thus, such a physically realistic modeling of material removal through the formation of etch pits will be helpful in predicting the degradation of carbon-based TPS more accurately during oxidation; as well as other mechanisms such as spallation, which involves the removal of chunks of material into the flow due to etch pit growth. This will ultimately improve our understanding of the failure modes in these materials due to ablation.

Carbon Ablators↗

Computational Investigation of Oxidative Etch Pitting in FiberForm and Its Impact on Material Properties

Oxidation-driven carbon erosion does not occur uniformly but rather through the development of localized etch pits at active surface sites. These active sites form due to atomic defects on the carbon surface, making them significantly more reactive than the surrounding, non-defective areas. As a result, these sites are the first to react during ablation, leading to their removal. This process creates new defects in neighboring atoms, increasing their reactivity and causing localized carbon removal around these active sites. In this way, the highly reactive defective areas serve as nucleation points for the formation and growth of etch pits, which can have adverse effects on structural integrity of FiberForm. To better understand how these etch pits impact the material properties of carbon fiber microstructures, we have developed a new capability within the direct simulation Monte Carlo (DSMC) framework to capture the etch pit formation process. This capability, integrated into the DSMC code SPARTA (Stochastic Parallel Rarefied-gas Time-accurate Analyzer), models material removal in the presence of active sites, leading to the formation of etch pits. The current work focuses on studying the effects of these etch pits on the material properties of FiberForm, a widely used base material in thermal protection systems (TPS). The microstructure of virgin FiberForm, obtained via X-ray microtomography, is imported into SPARTA to generate the ablated geometries with etch pits. These modified microstructures are then analyzed using the Porous Microstructure Analysis (PuMA) software to compute various material properties, including elasticity, thermal conductivity, and permeability. We investigate the variation of these properties due to the complex surface topology changes caused by etch pit formation. Additionally, we compare the effects of pitting with the conventional model of shrinking fibers, traditionally used to simulate the ablation of carbon structures. Significant differences emerge between the two approaches. Consequently, this physically realistic model of material removal through etch pit formation offers improved accuracy in predicting the degradation of carbon-based TPS during oxidation. It also provides insights into other mechanisms, such as spallation, where chunks of material are removed into the flow due to etch pit growth. Ultimately, this model enhances our understanding of failure modes in these materials during ablation.

PuMA↗

Surface-Controlled TiO 2 Nanocrystals with Catalytically Active Single-Site Co Incorporation for the Oxygen Evolution Reaction

The design of advanced electrocatalysts is often hindered by uncertainties in identifying and controlling the active surfaces and catalytic centers within heterogeneous materials. Here we present the synthesis of single-site Co catalysts, substitutionally doped into surface-controlled TiO 2 anatase nanocrystals, aimed at enhancing the oxygen evolution reaction (OER). Grand canonical quantum mechanics calculations reveal that the kinetics of the OER, following an adsorbate evolution mechanism, is markedly influenced by the coordination environment of Co. The simulations suggest significantly higher turnover frequencies when Co is doped into the (001) surface of TiO 2 compared to the (101) surface. Consistent with the computational findings, experimental results show that Co-doped TiO 2 (Co-TiO 2 ) nanoplates with selectively exposed {001} surfaces exhibit enhanced current densities and turnover frequencies compared to Co-TiO 2 nanobipyramids with {101} surfaces. This study highlights the synergy between theoretical calculations and precision synthesis in the development of more effective catalysts.

25 ENERGY STORAGE↗

Bridge Sites of Au Surfaces Are Active for Electrocatalytic CO 2 Reduction

Prior in-situ attenuated total reflectance Fourier transform infrared (ATR-FTIR) studies of electrochemical CO 2 reduction catalyzed by Au, one of the most selective and active electrocatalysts to produce CO from CO 2 , suggest that the reaction proceeds solely on the top sites of the Au surface. This finding is worth updating with an improved spectroelectrochemical system where in-situ IR measurements can be performed under real reaction conditions that yield high CO selectivity. Herein, we report the preparation of a Au-coated Si ATR crystal electrode with both high catalytic activity for CO 2 reduction and strong surface enhancement of IR signals validated in the same spectroelectrochemical cell, which allows us to probe the adsorption and desorption behavior of bridge-bonded *CO species (*CO B ). In this study we find that the Au surface restructures irreversibly to give an increased number of bridge sites for CO adsorption within the initial tens of seconds of CO 2 reduction. By studying the potential-dependent desorption kinetics of *CO B and quantifying the steady-state surface concentration of *CO B under reaction conditions, we further show that *CO B are active reaction intermediates for CO 2 reduction to CO on the Au surface. At medium overpotential, as high as 38% of the reaction occurs on the bridge sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Solar cell module

An improved solar cell module for use in terrestrial environments is disclosed. It is characterized by: (1) an internally reflective plate having a planar surface of incidence and an opposed textured surface (2) a plurality of uniformly spaced silicon solar cells having the active surfaces thereof bonded to portions of the textured surface, and (3) a layer of diffusely reflective matter applied to the textured surface in surrounding relation with the solar cells for reflecting solar energy. The solar energy then strikes the surface of incidence at such angles as to be internally re-reflected and caused to progress toward the active surfaces of the solar cells, whereby concentration of incident flux on the solar cell is achieved without increased module depth.

Shepard, N. F., Jr.↗

Surface and Active Layer Water Chemistry, Teller Road Mile Marker 27, Seward Peninsula, Alaska, 2016-2018

This dataset provides the results of spatial surveys of aqueous geochemistry conducted at Teller Road Site, Seward Peninsula, Alaska. Surface water and soil pore water samples were collected from multiple depth within the active layer at designated Intensive Stations 2 through 9 at the Teller Road MM 27 Site (TL_MM27). Reported analytes include dissolved methane and carbon dioxide, dissolved organic and inorganic carbon, major inorganic anions, and major and minor cations. Samples and measurements were collected from 2016-2018. Specifically, samples were collected in September of 2016, August and September of 2017, and August of 2018. Most of the samples were collected from piezometers installed at various depths within the active layer (70 cm max). A few are surface water grab samples. Data are provided in a single comma separated (.xlsx / .csv) file. One supplemental file is also included. It provides the results of a limited set of analyses (dissolved methane and carbon dioxide and Fe(II)) on surface and soil pore water samples collected at Teller (TL_MM27) and Council (CN_MM71) locations in September 2019. The metadata and data are draft with outstanding clarifications and additions to come. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a 10-year research effort (2012-2022) to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy?s Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy?s Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗