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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Subnanometer Thick Native sp 2 Carbon on Oxidized Diamond Surfaces

Oxygen-terminated diamond has a wide breadth of applications, which include stabilizing near-surface color centers, semiconductor devices, and biological sensors. Despite the vast literature on characterizing functionalization groups on diamond, the chemical composition of the shallowest portion of the surface (<1 nm) is challenging to probe with conventional techniques like XPS and FTIR. In this work, we demonstrate the use of angleresolved XPS to probe the first ten nanometers of both oxygen and hydrogen terminated (100) single-crystalline diamond grown via chemical vapor deposition (CVD). With the use of consistent peakfitting methods, the peak identities and relative peak binding energies were identified for sp 2 carbon, ether, hydroxyl, carbonyl, and C−H groups for both of these diamond surface terminations. For the oxygen-terminated sample, we also quantified the thickness of the sp 2 carbon layer situated on top of the bulk sp 3 diamond bonded carbon to be 0.3 ± 0.1 nm, based on the analysis of the Auger electron spectra and D-parameter calculations. These results indicate that the majority of the oxygen is bonded to the sp 2 carbon layer on the diamond, and not directly to the sp 3 diamond bonded carbon.

Carbon↗
DOE OSTI2024

When Photoelectrons Meet Gas Molecules: Determining the Role of Inelastic Scattering in Ambient Pressure X-ray Photoelectron Spectroscopy

Inelastic photoelectron scattering (IPES) by gas molecules, a critical phenomenon observed in ambient pressure X-ray photoelectron spectroscopy (APXPS), complicates spectral interpretation due to kinetic energy loss in the primary spectrum and the appearance of additional features at higher binding energies. In this study, we systematically investigate IPES in various gas environments using APXPS, providing detailed insights into interactions between photoelectrons emitted from solid surfaces and surrounding gas molecules. Corelevel XPS spectra of Au, Ag, Zn, and Cu metals were recorded over a wide kinetic energy range in the presence of CO 2 , N 2 , Ar, and H 2 gases, demonstrating the universal nature of IPES across different systems. Additionally, we analyzed spectra of scattering effects induced by gas-phase interactions without metal solids. In two reported CO 2 -reduction systems (p-GaN/ Au/Cu and p-Si/TaO x /Cu), we elucidated that IPES is independent of the composition, structure, or size of the solid materials. Using metal foil platforms, we further developed an analytical model to extract electron excitation cross sections of gas molecules. These findings enhance our understanding of IPES mechanisms and enable the predictions of IPES structures in other solid–gas systems, providing a valuable reference for future APXPS studies and improving the accuracy of spectral analysis in gas-rich catalytic interfaces.

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

Sliceable, Moldable, and Highly Conductive Electrolytes for All-Solid-State Batteries

All-solid-state batteries (ASSBs) require solid electrolytes with high ionic conductivity, stability, and deformability for optimal energy and power density. Here, we developed lithium-deficient lithium yttrium bromide (LYB) solid electrolytes, Li 3–x YBr 6–x (0 ≤ x ≤ 0.50), using a comelting method with controlled lithium deficiency. These electrolytes exhibit favorable mechanical properties such as high moldability and sliceability. The Li 2.65 YBr 5.65 composition has an ionic conductivity of 4.49 mS cm –1 at 25 °C and an activation energy of 0.28 eV. Compared to Li 3 YBr 6 , Li 2.65 YBr 5.65 demonstrates improved rate performance and cycling stability in ASSBs. High-resolution X-ray diffraction confirms the formation of the LYB phase with a C2/m space group. Structural analysis reveals increased cation disorder and larger polyhedral volumes for x > 0 in Li 3–x YBr 6–x , contributing to reduced Li + migration energy barriers. Bond valence site energy calculations and molecular dynamics simulations reveal enhanced 3D lithium-ion transport. NMR spectroscopy further highlights increased Li + dynamics and impurity elimination.

Poudel, Tej P. [Florida State Univ., Tallahassee, ↗
DOE OSTI2025

Large Hyperfine Coupling Arising from Pseudo- 2 S Ground States in a Series of Lutetium(II) Metallocene Complexes

The synthesis of molecules with strong coupling between electronic and nuclear spins represents an important challenge in molecular quantum information science. Here, we report the synthesis and characterization of the divalent lutetium metallocene complexes Lu(Cp Me 5 )(Cp iPr 5 ) (Cp Me 5 = pentamethylcyclopentadienyl; Cp iPr 5 = pentaisopropylcyclopentadienyl), Lu(Cp iPr 4 Et ) 2 (Cp iPr 4 Et = ethyltetraisopropylcyclopentadienyl), and Lu(Cp iPr 4 ) 2 (Cp iPr 4 = tetraisopropylcyclopentadienyl). The molecular structures of these complexes, as determined through singlecrystal X-ray diffraction, feature a common bent sandwich geometry, with average Cp–Lu–Cp angles ranging from 159.9° to 152.6°. Analysis of continuous-wave electron paramagnetic resonance (EPR) spectra for the complexes reveals nearly isotropic g tensors with only a slight deviation from that of a free electron. Moreover, an extremely large splitting of the eight-line spectra indicates the presence of strong hyperfine coupling, and simulations provide isotropic hyperfine coupling constants of A iso = 4.38, 4.30, and 4.17 GHz across the series, where the value of A iso is found to decrease as the Cp–Lu–Cp angle becomes more acute. Notably, these values are the largest yet observed for any lanthanide complex. Moreover, EPR and computational analysis show that the large values of A iso stem from large s-orbital character up to 41.2% in the corresponding singly occupied molecular orbitals. To our knowledge, this degree of s-character in a molecular orbital is the largest yet reported for an open-shell isolable complex. These results outline a general strategy toward the isolation of paramagnetic molecules with strong hyperfine coupling and highly isotropic doublet electronic ground states.

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

Foliar elemental distribution in Blepharidium guatemalense assessed by synchrotron X-ray fluorescence spectroscopy and colorimetric optical microscopy

The hyperaccumulation phenomenon holds significant potential for Ni agromining in ultramafic areas; however, data on tropical hyperaccumulator species, particularly regarding metal distribution and tolerance mechanisms, remain scarce. Here, this study characterized the foliar elemental distribution of Blepharidium guatemalense, analyzed its metal localization at both tissue and cellular levels, and quantified its Ni accumulation when grown in Brazilian ultramafic soil. Plants were grown in pots for 90 days, and Ni concentrations in the aerial biomass and bio-ore were determined. Synchrotron-based micro-X-ray fluorescence (S-µXRF) was used to assess metal distribution in tissues, supplemented by microscopic examination with dimethylglyoxime (DMG) to visualize Ni accumulation in specific cell types. B. guatemalense reached 19,000 mg kg −1 Ni in leaves. Processing leaf biomass produced ash containing 24 wt% Ni, indicating promising metal-recovery potential for the species. S-µXRF revealed that Ni was predominantly localized in the central and secondary veins of the leaves, suggesting efficient vascular transport. Microscopic analysis using the colorimetric reagent DMG further showed that Ni accumulation occurs near the epidermis and phloem, suggesting that B. guatemalense employs specific physiological mechanisms for Ni translocation, potentially supporting both defense and growth functions. These results establish B. guatemalense as a promising candidate for large-scale Ni agromining in tropical regions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Analysis of nickel sulfoselenide materials by XPS

Metal chalcogenides are of interest as electrocatalysts, battery materials, and more. XPS is a valuable tool for studying changes to these materials before and after catalysis, making reference spectra for the pristine materials valuable. Here, we present XPS spectra for a family of nickel sulfoselenide (NiSSe) materials based on the Ni 3 X 2 crystal structure, Ni 3 S 2-x Se x . XPS surveys and high-resolution spectra of Ni 2p, S 2p, S 2s, Se 3d, Se 3p, and Se 3s were recorded using Al K α radiation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

A Scalable & Non-Destructive Characterization Strategy to Study Semiconductor/Dielectric Interfaces and Predict Wafer-Level Device Performance

The defect density present at the dielectric-semiconductor interface in an MOS structure directly influences the channel carrier characteristics in semiconductor devices, especially in wide bandgap material systems used in power devices. While these trap defects are typically quantified through electrical characterization of MOS-capacitor test structures, this treatment offers very little insight into the physical nature of interface defects. Such shortcomings demand a physical characterization strategy to guide fabrication optimization. X-ray photoelectron spectroscopy (XPS) is suggested as a viable technique to determine chemical data for dielectric interfaces formed using atomic layer deposition (ALD) on GaN substrates. Previously, 1-D XPS characterization has confirmed the presence of a Ga x O y interlayer between ALD dielectrics and the GaN substrate. In this work, XPS data is serially collected to form 2-D images of an ALD-Al 2 O 3 /GaN interface as a proof-of-concept experiment for in-situ XPS quality monitoring during ALD processing. The information provided by this work reveals some of the challenges for incorporating XPS characterization as an in-situ strategy during fabrication of GaN-based devices. Separately, electrical mapping of a 2-D array of ALD-Al 2 O 3 /GaN MOS-capacitor devices provide a means to quantify the spatial variations in interface quality across a single wafer. Physical characterization techniques, such as time-of-flight secondary ion mass spectroscopy, provide additional chemical information about the Al 2 O 3 /Ga x O y /GaN structure that complement the electrical mapping results. This analysis shows that a higher Ga x O y content correlates with higher interface state defects for trap energies deep in the band gap.

42 ENGINEERING↗
DOE OSTI2026

Collaborative R&D with REEL Solar Inc (REEL) to Understand and Overcome Performance Limitations in CdTe Solar Cells: Cooperative Research and Development (Final Report)

This CRADA will focus on processing, advanced characterization, and testing of photovoltaic materials and devices to understand and improve REEL CdTe solar technology. This will include examining process variations and different buffer, absorber, and contact layers from REEL and NLR to maximize performance. The unique and diverse advanced characterization tools at NLR, such as time-resolved photoluminescence, capacitance-voltage measurements, electron beam scattered diffraction, cathodoluminescence, electron microscopy, TOF-SIMS, and other measurements will be applied to characterize REEL processing to improve understanding and guide experimental directions. Accelerated stability and potential induced degradation tests will be used to analyze metastability, short-and-long term degradation, and improve bankability. A second and major thrust this period will be joint development of Si/CdTe tandem solar cells to overcome industry wide terrestrial solar efficiency limits with the two lowest cost and manufacturable solar materials today. This will include developing novel transparent back contacts that can be incorporated into tandem structures and other novel solar applications, detailed analysis of designs and configurations for CdTe/Si tandem modules, and prototyping REEL CdTe Technology with Si bottom cells in tandem structures.

14 SOLAR ENERGY↗
NASA NTRS1976

Stellar crystal X-ray spectroscopy on OSO-8

The large-area graphite crystal X-ray spectrometer on the OSO-8 satellite is described, and its response to stellar line and continuum radiation is discussed. A high resolution X-ray spectrum of Sco X-1 obtained from a preliminary analysis of quick look data shows a strong, smooth continuum with an absence of emission or absorption features over the energy range 2.2 to 8 keV. Upper limits are set on narrow line emission from highly ionized states of S, Ca, and Fe.

Kestenbaum, H. L.↗
NASA NTRS1978

Definition and detailed characterization of lunar surface units using remote observations

Remote sensing techniques are reviewed in terms of their application to the study of the lunar surface. These techniques include: reflectance spectroscopy (UV and IR), X-ray and gamma-ray analysis, alpha-particle spectroscopy, thermal emission, polarimetry, photography, and visual observation. Each technique is indexed with respect to its usefulness in either describing the appearance and location of a feature, classifying the feature in terms of a broader category, or supplying additional quantitative data. Special attention is given to the mare deposits of the Imbrium basin.

Head, J. W.↗
NASA NTRS1979

Paraboloidal X-ray telescope mirror for solar coronal spectroscopy

The telescope mirror for the X-ray Spectrograph Spectrometer Telescope System is a sixty degree sector of an extreme off-axis paraboloid of revolution. It was designed to focus a coronal region 1 by 10 arc seconds in size on the entrance slit of the spectrometer after reflection from the gold surface. This paper discusses the design, manufacture, and metrology of the mirror, the methods of precision mechanical metrology used to focus the system, and the mounting system which locates the mirror and has proven itself through vibration tests. In addition, the results of reflection efficiency measurements, alignment tolerances, and ray trace analysis of the effects of misalignment are considered.

Brown, W. A.↗
NASA NTRS1984

High resolution X- and gamma-ray spectroscopy of solar flares

A balloon-borne X- and gamma-ray instrument was developed, fabricated, and flown. This instrument has the highest energy resolution of any instrument flown to date for measurements of solar and cosmic X-ray and gamma-ray emission in the 13 to 600 keV energy range. The purpose of the solar measurements was to study electron acceleration and solar flare energy release processes. The cosmic observations were to search for cyclotron line features from neutron stars and for low energy gamma-ray lines from nucleosynthesis. The instrument consists of four 4 cm diameter, 1.3 cm thick, planar intrinsic germanium detectors cooled by liquid nitrogen and surrounded by CsI and NaI anti-coincidence scintillation crystals. A graded z collimator limited the field of view to 3 deg x 6 deg and a gondola pointing system provided 0.3 deg pointing accuracy. A total of four flights were made with this instrument. Additional funding was obtained from NSF for the last three flights, which had primarily solar objectives. A detailed instrument description is given. The main scientific results and the data analysis are discussed. Current work and indications for future work are summarized. A bibliography of publications resulting from this work is given.

Lin, R. P.↗
NASA NTRS1984

Nuclear Science Symposium, 30th, and Symposium on Nuclear Power Systems, 15th, San Francisco, CA, October 19-21, 1983, Proceedings

The range of disciplines covered includes physics instrumentation, data acquisition, FASTBUS, radiation detectors, scintillators, photomultipliers and optical detectors, subnanosecond 2-D imaging, medical and health instrumentation, reactor instrumentation, and space instrumentation. Cerenkov detectors, the prevention and rate capability of breakdown processes in wire chambers, and an interactive parallel processor for data analysis are studied. Attention is also given to bismuth germanate's role in gamma-ray spectroscopy, and the construction of a broadband universal sampling head is described. Gamma-ray imaging with a rotating hexagonal uniform redundant array, and broadband X-ray astronomical spectrometry are considered.

Nakamura, M.↗
NASA NTRS1995

Evaluation of Oxygen Interactions with Materials 3: Mission and induced environments

The Evaluation of Oxygen Interactions with Materials 3 (EOIM-3) flight experiment was developed to obtain benchmark atomic oxygen/material reactivity data. The experiment was conducted during Space Shuttle mission 46 (STS-46), which flew July 31 to August 7, 1992. Quantitative interpretation of the materials reactivity measurements requires a complete and accurate definition of the space environment exposure, including the thermal history of the payload, the solar ultraviolet exposure, the atomic oxygen fluence, and any spacecraft outgassing contamination effects. The thermal history of the payload was measured using twelve thermocouple sensors placed behind selected samples and on the EOIM-3 payload structure. The solar ultraviolet exposure history of the EOIM-3 payload was determined by analysis of the as-flown orbit and vehicle attitude combined with daily average solar ultraviolet and vacuum ultraviolet (UV/VUV) fluxes. The atomic oxygen fluence was assessed in three different ways. First, the O-atom fluence was calculated using a program that incorporates the MSIS-86 atmospheric model, the as-flown Space Shuttle trajectory, and solar activity parameters. Second, the oxygen atom fluence was estimated directly from Kapton film erosion. Third, ambient oxygen atom measurements were made using the quadrupole mass spectrometer on the EOIM-3 payload. Our best estimate of the oxygen atom fluence as of this writing is 2.3 +/- 0.3 x 10(exp 20) atoms/sq cm. Finally, results of post-flight X-ray photoelectron spectroscopy (XPS) surface analyses of selected samples indicate low levels of contamination on the payload surface.

Koontz, Steven L.↗
NASA NTRS1995

Far-ultravoilet and optical spectrscopy of the detached white dwarf-M binary RE J1629+780

We present optical and far-ultraviolet observations, including IUE high- and low-dispersion spectroscopy, of the (DA2+dM4-5) close binary, RE J1629+780, a very bright ROSAT EUV source. The optical data reveal emission reversals in the cores of the Balmer lines, which vary in strength but reveal no evidence of wavelength shifts reflecting orbital motion, suggesting that the red dwarf and the white dwarf are widely separated. Thus it is unlikely that irradiation plays a dominant role in the activity of the red dwarf. One dramatic increase in the intensity of the H-beta emission strength in the course of one hour indicates that the observed intensity variations are most likely related to flare activity on the red dwarf. Our analysis of Balmer and Lyman alpha features yield T(sub eff) = 42,500 +/- 1300 K and log g = 7.6 +/- 0.3 for the DA2 white dwarf, which is consistent with the overall 900 to 3200 A energy distribution derived from Voyager and IUE low-dispersion spectra. Our analysis of three IUE echelle spectra reveal numerous lines of interstellar origin. Using a total of 13 interstellar matter (ISM) features we find a mean radial velocity of -13.57 +/- 1.66 km/s for the interstellar features. However, we found no evidence of trace metal absorbers levitated or accreted in the white-dwarf photosphere nor any evidence of circumstellar or wind features. We estimate a lower limit hydrogen layer mass of 2.1 x 10(exp -15) solar mass for a stratified atmosphere based upon the nondetection of He II (1640). Tighter constraints on the helium abundance and the hydrogen layer mass, from EUV and X-ray data, are presented for both homogeneous and stratified atmospheric configurations.

Sion, Edward M.↗
NASA NTRS1995

Extreme ultraviolet spectroscopy and photometry of VV Puppis during a high accretion state

We determine the physical properties of the accretion region of the AM Her-type binary VV Puppis using extreme ultraviolet (EUV) medium-resolution spectroscopy and photometry obtained with the Extreme Ultraviolet Explorer (EUVE) observatory. The EUV continuum from VV Pup was detected in the wavelength range from 75 to 135 A and was simultaneously recorded with the Deep Survey/Spectrometer (DS/S) imaging telescope, allowing for the extraction of an accurate light curve. VV Pup appeared to have entered a high-accretion state just prior to the pointed EUVE observations. We use the EUV light curve to infer the diameter of the accretion region (d = 220 km) assuming a hemispherical geometry and a radius of 9000 km for the white dwarf. We perform a model atmosphere analysis and, based on the light curve properties and assuming a distance of 145 pc, we derive an effective temperature of the accretion region in the range 270,000 is less than T(sub eff) is less than 360,000 K and a neutral hydrogen column density in the local interstellar medium of n(sub H) = 1.9 - 3.7 x 10(exp 19)/sq cm. The total EUV/soft X-ray energy radiated by the accretion region is approximately 3.5 x 10(exp 32) ergs/s. Our results provide a first verification of past suggestions that deep heating of the white dwarf surface produces the soft X-ray flux from the polars. We present a possible detection of O VI absortion features, and we suggest that extensive EUVE observations targeting high-accretion events may result in oxygen and heavier element abundance determination in the accretion region.

Vennes, Stephane↗
NASA NTRS1997

[EUV Spectroscopy of MrK 421]

In accordance with our proposal, we carried out and analyzed a successful Extreme Ultraviolet Explorer spectroscopic observation of the BL Lacertae object Mrk 421 in April/May 1995 (approx. 242 ksec useful time). During this period, the source underwent a flare that was detected also in simultaneous observations in the X-ray and TeV (gamma)ray energy bands. Our EUVE data, however, provided the best continuous coverage of the flare and therefore played a key role in the analysis of the multiwavelength observation campaign (Buckley et al. 1996). Our spectral analysis benefited from an efficient procedure that we employed for properly assessing the background contamination at the shortest wavelengths. As a result, we were able to identify strong absorption features at the shortest observed EUV wavelengths (approx. 65-75 A), which were missed in earlier, on axis EUVE observations that extended only down to approx. 75 A (Fruscione et al. 1996). Our observations and interpretation of Mrk 421 were described in Kartje et al. 1997 (see attached reprint). The results were also presented in a poster at the AGN session in the 18th Texas Symposium on Relativistic Astrophysicsheld (Chicago, December 1996). Our interpretation of the observations has formed the basis for a unified model of outflows in BL Lac objects and Broad Absorption Line QSOs (Kartje & Konigl 1997). Preliminary accounts of this work, which have included a description of the EUVE observations of BL Lac objects, were presented in posters in IAU Colloquium No. 163 on Accretion Phenomena and Associated Outflows (Port Douglas, July 1996) and in the Carnegie Observatories Workshop on Ejection of Matter from AGNs (Pasadena, February 1997).

Koenigl, Arieh↗