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Results for “extended x-ray absorption fine structure”

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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Applications of x ray absorption fine structure to the in situ study of the effect of cobalt in nickel hydrous oxide electrodes for fuel cells and rechargeable batteries

Electronic and structural aspects of composite nickel-cobalt hydrous oxides have been examined in alkaline solutions using in situ X-ray absorption fine structure (XAFS). The results obtained have indicated that cobalt in this material is present as cobaltic ions regardless of the oxidation state of nickel in the lattice. Furthermore, careful analysis of the Co K-edge Extended X-ray absorption fine structure data reveals that the co-electrodeposition procedure generates a single phase, mixed metal hydrous oxide, in which cobaltic ions occupy nickel sites in the NiO2 sheet-like layers and not two intermixed phases each consisting of a single metal hydrous oxide.

Kim, Sunghyun↗

Raman structural studies of the nickel electrode

The objectives of this investigation have been to define the structures of charged active mass, discharged active mass, and related precursor materials (alpha-phases), with the purpose of better understanding the chemical and electrochemical reactions, including failure mechanisms and cobalt incorporation, so that the nickel electrode may be improved. Although our primary tool has been Raman spectroscopy, the structural conclusions drawn from the Raman data have been supported and augmented by three other analysis methods: infrared spectroscopy, powder X-ray Diffraction (XRD), and x-ray absorption spectroscopy (in particular EXAFS, Extended X-ray Absorption Fine Structure spectroscopy).

Cornilsen, Bahne C.↗

Interdisciplinary research and development on the effects of the nature and properties of ceramic materials in the design of advanced structural components

An educational development and supportive research program on ceramic materials established to advance design methodology, improve materials, and develop engineers knowledgable in design with and use of high performance ceramic materials is described. Emphasis is on the structures and related materials problems in a ceramic turbine engine, but applications in coal gasification, solar conversion, and magnetohydrodynamic technologies are considered. Progress of various research projects in the areas of new materials, processing, characterization, and nondestructive testing is reported. Fracture toughness determination, extended X-ray absorption fine structure measurements, and grain boundary effects in beta-alumina are among the topics covered.

Source record↗

Iron impurities in Si3N4 processing

The atomic environment of iron impurities is investigated during the processing cycle of reaction-bonding silicon nitride (RBSN). Several analysis techniques are utilized, including X-ray photoelectron spectroscopy (XPS), extended X-ray absorption fine structure (EXAFS), and electron spin resonance (ESR), to examine iron impurities in the starting silicon powder, in sintered silicon compacts, and in RBSN materials. Results indicate that iron impurities in as-received metallurgical grade silicon powder are incorporated in the silicon bulk as a highly distorted FeSi2 compound. No surface iron or iron-based particulate is observed in the starting material. Upon sintering, the iron environment becomes an ordered FeSi2 structure. In the RBNS material, the FeSi2 structure is again distorted, as observed by both EXAFS and ESR.

Bouldin, C. E.↗

The nature of chemisorbed oxygen on Ni(100) and Cu(100)

Model calculations indicate two low-lying states for the interaction of O with Ni and Cu(100). The oxide state is approximately 1 eV more stable and its R(perpendicular) for Ni(100) is consistent with the experimental value for Ni(100), indicating only one type of stable chemisorption bond. This agrees with XPS (X-ray photoemission spectroscopy) and EXAFS (extended X-ray absorption fine structure) data for the observed LEED (low energy electron diffraction) structures. Interpretations of EELS (electron energy loss spectroscopy) data in terms of a radical state forthe p(2x2) and the oxide state for the c(2x2) structure must be seriously questioned.

Bauschlicher, C. W., Jr.↗

Studies of the Si/SiO2 interface using synchrotron radiation

Synchrotron radiation photoemission spectroscopy (SRPS) in the 1-4 KeV photon energy range is a useful tool for interface characterization. Results are presented of a series of studies of the near-interface region of Si/SiO2 which confirm that a bond strain gradient exists in the oxide as a result of lattice mismatch. These experiments include measurement of photoemission lineshape changes as a function of photon energy, corresponding changes in the electron escape depth near the interface, and surface extended X-ray absorption fine structure (SEXAFS) measurements directly indicating the shortening of the Si-Si second nearest neighbor distance in the near-interface region of the oxide.

Hecht, M. H.↗

Oxygen Fugacity of Mare Basalts and the Lunar Mantle Application of a New Microscale Oxybarometer Based on the Valence State of Vanadium

The ability to estimate oxygen fugacities for mare basalts and to extend these observations to the lunar mantle is limited using bulk analysis techniques based on buffering assemblages or the valence state of iron. These limitations are due to reequilibration of mineral assemblages at subsolidus conditions, deviations of mineral compositions from thermodynamic ideality, size requirements, and the limits of the iron valence at very low fO2. Still, these approaches have been helpful and indicate that mare basalts crystallized at fO2 between the iron-w stite buffer (IW) and the ilmenite breakdown reaction (ilmenite = rutile + iron). It has also been inferred from these estimates that the lunar mantle is also highly reduced lying at conditions below IW. Generally, these data cannot be used to determine if the mare basalts become increasingly reduced during transport from their mantle source and eruption at the lunar surface and if there are differences in fO2 among mare basalts or mantle sources. One promising approach to determining the fO2 of mare basalts is using the mean valence of vanadium (2+, 3+, 4+, 5+) determined on spots of a few micrometers in diameter using synchrotron x-ray absorption fine structure (XAFS) spectroscopy. The average valence state of V in basaltic glasses is a function of fO2, temperature, V coordination, and melt composition. Here, we report the initial results of this approach applied to lunar pyroclastic glasses.

Shearer, C. K.↗

The Far-Infrared Emission Line and Continuum Spectrum of the Seyfert Galaxy NGC 1068

We report on the analysis of the first complete far-infrared spectrum (43-197 microns) of the Seyfert 2 galaxy NGC 1068 as observed with the Long Wavelength Spectrometer (LWS) onboard the Infrared Space Observatory (ISO). In addition to the 7 expected ionic fine structure emission lines, the OH rotational lines at 79, 119 and 163 microns were all detected in emission, which is unique among galaxies with full LWS spectra, where the 119 micron line, where detected, is always in absorption. The observed line intensities were modelled together with IS0 Short Wavelength Spectrometer (SWS) and optical and ultraviolet line intensities from the literature, considering two independent emission components: the AGN component and the starburst component in the circumnuclear ring of approximately 3kpc in size. Using the UV to mid-IR emission line spectrum to constrain the nuclear ionizing continuum, we have confirmed previous results: a canonical power-law ionizing spectrum is a poorer fit than one with a deep absorption trough, while the presence of a big blue bump is ruled out. Based on the instantaneous starburst age of 5 Myr constrained by the Br gamma equivalent width in the starburst ring, and starburst synthesis models of the mid- and far-infrared fine-structure line emission, a low ionization parameter (U=10(exp -3.5)) and low densities (n=100 cm (exp -3)) are derived. Combining the AGN and starburst components, we succeed in modeling the overall UV to far-IR atomic spectrum of SGC 1068, reproducing the line fluxes to within a factor 2.0 on average with a standard deviation of 1.4. The OH 119 micron emission indicates that the line is collisionally excited, and arises in a warm and dense region. The OH emission has been modeled using spherically symmetric, non-local, non-LTE radiative transfer models. The models indicate that the bulk of the emission arises from the nuclear region, although some extended contribution from the starburst is not ruled out. The OH abundance in the nuclear region is expected to be approximately 10(exp -5), characteristic of X-ray dominated regions.

Spinoglio, Luigi↗