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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

High resolution absorption spectroscopy of exploding wire plasmas using an x-pinch x-ray source and spherically bent crystal

We present here the use of absorption spectroscopy of the continuum radiation from x-pinch-produced point x-ray sources as a diagnostic to investigate the properties of aluminum plasmas created by pulsed power machines. This technique is being developed to determine the charge state, temperature, and density as a function of time and space under conditions that are inaccessible to x-ray emission spectroscopic diagnostics. The apparatus and its characterization are described, and the spectrometer dispersion, magnification, and resolution are calculated and compared with experimental results. Spectral resolution of about 5000 and spatial resolution of about 20 {mu}m are demonstrated. This spectral resolution is the highest available to date in an absorption experiment. The beneficial properties of the x-pinch x-ray source as the backlighter for this diagnostic are the small source size (<5 {mu}m), smooth continuum radiation, and short pulse duration (<0.1 ns). Results from a closely spaced (1 mm) exploding wire pair are shown and the general features are discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2012

Hard x-ray photoelectron spectroscopy study of As and Ga out-diffusion in In{sub 0.53}Ga{sub 0.47}As/Al{sub 2}O{sub 3} film systems

Hard x-ray photoelectron spectroscopy (HAXPES) was performed on In{sub 0.53}Ga{sub 0.47}As/Al{sub 2}O{sub 3} gate stacks as deposited and annealed at 400 Degree-Sign C, 500 Degree-Sign C, and 700 Degree-Sign C to test for out-diffusion of substrate elements. Ga and As core-level intensities increase with increasing anneal temperature, while the In intensity decreases. HAXPES was performed at two different beam energies to vary the surface sensitivity; results demonstrate Ga and As out-diffuse into the Al{sub 2}O{sub 3} film. Analysis suggests the presence of an interlayer containing Ga and As oxides, which thickens with increasing anneal temperature. Further diffusion, especially of Ga, into the Al{sub 2}O{sub 3} film is also observed with increasing anneal temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

A combined hard x-ray photoelectron spectroscopy and electrical characterisation study of metal/SiO{sub 2}/Si(100) metal-oxide-semiconductor structures

Combined hard x-ray photoelectron spectroscopy (HAXPES) and electrical characterisation measurements on identical Si based metal-oxide-semiconductor structures have been performed. The results obtained indicate that surface potential changes at the Si/SiO{sub 2} interface due to the presence of a thin Al or Ni gate layer can be detected with HAXPES. Changes in the Si/SiO{sub 2} band bending at zero gate voltage and the flat band voltage for the case of Al and Ni gate layers derived from the silicon core levels shifts observed in the HAXPES spectra are in agreement with values derived from capacitance-voltage measurements.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Surfaces of colloidal PbSe nanocrystals probed by thin-film positron annihilation spectroscopy

Positron annihilation lifetime spectroscopy and positron-electron momentum density (PEMD) studies on multilayers of PbSe nanocrystals (NCs), supported by transmission electron microscopy, show that positrons are strongly trapped at NC surfaces, where they provide insight into the surface composition and electronic structure of PbSe NCs. Our analysis indicates abundant annihilation of positrons with Se electrons at the NC surfaces and with O electrons of the oleic ligands bound to Pb ad-atoms at the NC surfaces, which demonstrates that positrons can be used as a sensitive probe to investigate the surface physics and chemistry of nanocrystals inside multilayers. Ab initio electronic structure calculations provide detailed insight in the valence and semi-core electron contributions to the positron-electron momentum density of PbSe. Both lifetime and PEMD are found to correlate with changes in the particle morphology characteristic of partial ligand removal.

36 MATERIALS SCIENCE↗
DOE OSTI2014

A combined capacitance-voltage and hard x-ray photoelectron spectroscopy characterisation of metal/Al{sub 2}O{sub 3}/In{sub 0.53}Ga{sub 0.47}As capacitor structures

Capacitance-Voltage (C-V) characterization and hard x-ray photoelectron spectroscopy (HAXPES) measurements have been used to study metal/Al{sub 2}O{sub 3}/In{sub 0.53}Ga{sub 0.47}As capacitor structures with high (Ni) and low (Al) work function metals. The HAXPES measurements observe a band bending occurring prior to metal deposition, which is attributed to a combination of fixed oxide charges and interface states of donor-type. Following metal deposition, the Fermi level positions at the Al{sub 2}O{sub 3}/In{sub 0.53}Ga{sub 0.47}As interface move towards the expected direction as observed from HAXPES measurements. The In{sub 0.53}Ga{sub 0.47}As surface Fermi level positions determined from both the C-V analysis at zero gate bias and HAXPES measurements are in reasonable agreement. The results are consistent with the presence of electrically active interface states at the Al{sub 2}O{sub 3}/In{sub 0.53}Ga{sub 0.47}As interface and suggest an interface state density increasing towards the In{sub 0.53}Ga{sub 0.47}As valence band edge.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Electronic structure of C and N co-doped TiO{sub 2}: A combined hard x-ray photoemission spectroscopy and density functional theory study

We have studied the electronic structure of C and N co-doped TiO{sub 2} using hard x-ray photoelectron spectroscopy and first-principles density functional theory calculations. Our results reveal overlap of the 2p states of O, N, and C in the system which shifts the valence band maximum towards the Fermi level. Combined with optical data we show that co-doping is an effective route for band gap reduction in TiO{sub 2}. Comparison of the measured valence band with theoretical photoemission density of states reveals the possibility of C on Ti and N on O site.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Stochastic Liouville equations for femtosecond stimulated Raman spectroscopy

Electron and vibrational dynamics of molecules are commonly studied by subjecting them to two interactions with a fast actinic pulse that prepares them in a nonstationary state and after a variable delay period T, probing them with a Raman process induced by a combination of a broadband and a narrowband pulse. This technique, known as femtosecond stimulated Raman spectroscopy (FSRS), can effectively probe time resolved vibrational resonances. We show how FSRS signals can be modeled and interpreted using the stochastic Liouville equations (SLE), originally developed for NMR lineshapes. The SLE provide a convenient simulation protocol that can describe complex dynamics caused by coupling to collective bath coordinates at much lower cost than a full dynamical simulation. The origin of the dispersive features that appear when there is no separation of timescales between vibrational variations and the dephasing time is clarified.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Photoelectron spectroscopy and theoretical studies of gaseous uranium hexachlorides in different oxidation states: UCl{sub 6}{sup q−} (q = 0–2)

Uranium chlorides are important in actinide chemistry and nuclear industries, but their chemical bonding and many physical and chemical properties are not well understood yet. Here, we report the first experimental observation of two gaseous uranium hexachloride anions, UCl{sub 6}{sup −} and UCl{sub 6}{sup 2−}, which are probed by photoelectron spectroscopy in conjunction with quantum chemistry calculations. The electron affinity of UCl{sub 6} is measured for the first time as +5.3 eV; its second electron affinity is measured to be +0.60 eV from the photoelectron spectra of UCl{sub 6}{sup 2−}. We observe that the detachment cross sections of the 5f electrons are extremely weak in the visible and UV energy ranges. It is found that the one-electron one-determinental molecular orbital picture and Koopmans’ theorem break down for the strongly internally correlated U-5f{sup 2} valence shell of tetravalent U{sup +4} in UCl{sub 6}{sup 2−}. The calculated adiabatic and vertical electron detachment energies from ab initio calculations agree well with the experimental observations. Electronic structure and chemical bonding in the uranium hexachloride species UCl{sub 6}{sup 2−} to UCl{sub 6} are discussed as a function of the oxidation state of U.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Measuring correlated electronic and vibrational spectral dynamics using line shapes in two-dimensional electronic-vibrational spectroscopy

Two-dimensional electronic-vibrational (2DEV) spectroscopy is an experimental technique that shows great promise in its ability to provide detailed information concerning the interactions between the electronic and vibrational degrees of freedom in molecular systems. The physical quantities 2DEV is particularly suited for measuring have not yet been fully determined, nor how these effects manifest in the spectra. In this work, we investigate the use of the center line slope of a peak in a 2DEV spectrum as a measure of both the dynamic and static correlations between the electronic and vibrational states of a dye molecule in solution. We show how this center line slope is directly related to the solvation correlation function for the vibrational degrees of freedom. We also demonstrate how the strength with which the vibration on the electronic excited state couples to its bath can be extracted from a set of 2DEV spectra. These analytical techniques are then applied to experimental data from the laser dye 3,3′-diethylthiatricarbocyanine iodide in deuterated chloroform, where we determine the lifetime of the correlation between the electronic transition frequency and the transition frequency for the backbone C = C stretch mode to be ∼1.7 ps. Furthermore, we find that on the electronic excited state, this mode couples to the bath ∼1.5 times more strongly than on the electronic ground state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Comparison of beam emission spectroscopy and gas puff imaging edge fluctuation measurements in National Spherical Torus Experiment

In this study, the close physical proximity of the Gas Puff Imaging (GPI) and Beam Emission Spectroscopy (BES) diagnostics on the National Spherical torus Experiment (NSTX) is leveraged to directly compare fluctuation measurements, and to study the local effects of the GPI neutral deuterium puff during H-mode plasmas without large Edge Localized Modes. The GPI and BES views on NSTX provide partially overlapping coverage of the edge and scrape-off layer (SOL) regions above the outboard midplane. The separation in the toroidal direction is 16°, and field lines passing through diagnostic views are separated by ∼20 cm in the direction perpendicular to the magnetic field. Strong cross-correlation is observed, and strong cross-coherence is seen for frequencies between 5 and 15 kHz. Also, probability distribution functions of fluctuations measured ∼3 cm inside the separatrix exhibit only minor deviations from a normal distribution for both diagnostics, and good agreement between correlation length estimates, decorrelation times, and structure velocities is found at the ±40% level. While the two instruments agree closely in many respects, some discrepancies are observed. Most notably, GPI normalized fluctuation levels exceed BES fluctuations by a factor of ∼9. BES mean intensity is found to be sensitive to the GPI neutral gas puff, and BES normalized fluctuation levels for frequencies between 1 and 10 kHz are observed to increase during the GPI puff.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Revisited reaction-diffusion model of thermal desorption spectroscopy experiments on hydrogen retention in material

Desorption phase of thermal desorption spectroscopy (TDS) experiments performed on tungsten samples exposed to flux of hydrogen isotopes in fusion relevant conditions is analyzed using a reaction-diffusion model describing hydrogen retention in material bulk. Two regimes of hydrogen desorption are identified depending on whether hydrogen trapping rate is faster than hydrogen diffusion rate in material during TDS experiments. In both regimes, a majority of hydrogen released from material defects is immediately outgassed instead of diffusing deeply in material bulk when the evolution of hydrogen concentration in material is quasi-static, which is the case during TDS experiments performed with tungsten samples exposed to flux of hydrogen isotopes in fusion related conditions. In this context, analytical expressions of the hydrogen outgassing flux as a function of the material temperature are obtained with sufficient accuracy to describe main features of thermal desorption spectra (TDSP). These expressions are then used to highlight how characteristic temperatures of TDSP depend on hydrogen retention parameters, such as trap concentration or activation energy of detrapping processes. The use of Arrhenius plots to characterize retention processes is then revisited when hydrogen trapping takes place during TDS experiments. Retention processes are also characterized using the shape of desorption peaks in TDSP, and it is shown that diffusion of hydrogen in material during TDS experiment can induce long desorption tails visible aside desorption peaks at high temperature in TDSP. These desorption tails can be used to estimate activation energy of diffusion of hydrogen in material.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Raman spectroscopy measurement of bilayer graphene's twist angle to boron nitride

When graphene is placed on hexagonal boron nitride with a twist angle, new properties develop due to the resulting moiré superlattice. Here, we report a method using Raman spectroscopy to make rapid, non-destructive measurements of the twist angle between bilayer graphene and hexagonal boron nitride. The lattice orientation is determined by using flakes with both bilayer and monolayer regions, and using the known Raman signature for the monolayer to measure the twist angle of the entire flake. The widths of the second order Raman peaks are found to vary linearly in the superlattice period and are used to determine the twist angle. The results are confirmed by using transport measurements to infer the superlattice period by the charge density required to reach the secondary resistance peaks. Small twist angles are also found to produce a significant modification of the first order Raman G band peak.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Interface electronic properties of co-evaporated MAPbI{sub 3} on ZnO(0001): In situ X-ray photoelectron spectroscopy and ultraviolet photoelectron spectroscopy study

In this work, the interface electronic properties of ZnO(0001)/CH{sub 3}NH{sub 3}PbI{sub 3} were investigated by both X-ray and ultraviolet photoelectron spectroscopy. The CH{sub 3}NH{sub 3}PbI{sub 3} thin films were grown on single crystalline ZnO(0001) substrate in situ by co-evaporation of PbI{sub 2} and CH{sub 3}NH{sub 3}I at room temperature with various thickness from 1.5 nm to 190 nm. It was found that the conduction band minimum of ZnO lies 0.3 eV below that of CH{sub 3}NH{sub 3}PbI{sub 3}, while the valence band maximum of ZnO lies 2.1 eV below that of CH{sub 3}NH{sub 3}PbI{sub 3}, implying that the electrons can be effectively transported from CH{sub 3}NH{sub 3}PbI{sub 3} to ZnO, and the holes can be blocked in the same time. A PbI{sub 2} rich layer was initially formed at the interface of ZnO(0001)/CH{sub 3}NH{sub 3}PbI{sub 3} during the growth. As a consequence, an interface barrier was built up which may prevent the electron transport at the interface.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Visible light absorbance enhanced by nitrogen embedded in the surface layer of Mn-doped sodium niobate crystals, detected by ultra violet - visible spectroscopy, x-ray photoelectron spectroscopy, and electric conductivity tests

Sodium niobate crystals doped with manganese ions, Na(NbMn)O{sub 3}, were annealed in a nitrogen N{sub 2} flow at 600, 670, and 930 K. It was verified that simultaneous doping with Mn ions and annealing in nitrogen enhanced the photocatalytic features of sodium niobate. The transmission in the ultraviolet-visible range was measured at room temperature. The absorbance edge is in the range from 3.4 to 2.3 eV. The optical band gap E{sub gap} = 1.2–1.3 eV was evaluated using the Tauc relation. Crystals annealed at 670 K and 930 K exhibited an additional shift of the absorption edge of ∼20–40 nm toward longer wavelengths. The optical energy gap narrowed as a result of the superimposed effect of Mn and N co-doping. The x-ray photoelectron spectroscopy test showed that N ions incorporated into the surface layer. The valence band consisted of O 2p states hybridized with Nb 4d, Mn 3d, and N 2s states. The disorder detected in the surroundings of Nb and O ions decreased due to annealing. The binding energy of oxygen ions situated within the surface layer was E{sub B} ≈ 531 eV. The other contributions were assigned to molecular contamination. The contribution centered at 535.5 eV vanished after annealing at 600 K and 670 K. The contribution centered at 534 eV vanished after annealing at 930 K. The N{sub 2} annealing partly removed carbonates from the surfaces of the samples. In the 480–950 K range, the electric conductivity activation energy, E{sub a} = 0.7–1.2 eV, was comparable with the optical E{sub gap}. The electric permittivity showed dispersion in the 0.1–800 kHz range that corresponds to the occurrence of defects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Photodissociation dynamics of the methyl perthiyl radical at 248 and 193 nm using fast-beam photofragment translational spectroscopy

The photodissociation dynamics of the methyl perthiyl radical (CH{sub 3}SS) have been investigated using fast-beam coincidence translational spectroscopy. Methyl perthiyl radicals were produced by photodetachment of the CH{sub 3}SS{sup −} anion followed by photodissociation at 248 nm (5.0 eV) and 193 nm (6.4 eV). Photofragment mass distributions and translational energy distributions were measured at each dissociation wavelength. Experimental results show S atom loss as the dominant (96%) dissociation channel at 248 nm with a near parallel, anisotropic angular distribution and translational energy peaking near the maximal energy available to ground state CH{sub 3}S and S fragments, indicating that the dissociation occurs along a repulsive excited state. At 193 nm, S atom loss remains the major fragmentation channel, although S{sub 2} loss becomes more competitive and constitutes 32% of the fragmentation. The translational energy distributions for both channels are very broad at this wavelength, suggesting the formation of the S{sub 2} and S atom products in several excited electronic states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Theory of scanning tunneling spectroscopy: from Kondo impurities to heavy fermion materials

Kondo systems ranging from the single Kondo impurity to heavy fermion materials present us with a plethora of unconventional properties whose theoretical understanding is still one of the major open problems in condensed matter physics. Over the last few years, groundbreaking scanning tunneling spectroscopy (STS) experiments have provided unprecedented new insight into the electronic structure of Kondo systems. Interpreting the results of these experiments–the differential conductance and the quasi-particle interference spectrum–however, has been complicated by the fact that electrons tunneling from the STS tip into the system can tunnel either into the heavy magnetic moment or the light conduction band states. In this article, we briefly review the theoretical progress made in understanding how quantum interference between these two tunneling paths affects the experimental STS results. We show how this theoretical insight has allowed to interpret the results of STS experiments on a series of heavy fermion materials providing detailed knowledge of their complex electronic structure. Furthermore, it is this knowledge that is a conditio sine qua non for developing a deeper understanding of the fascinating properties exhibited by heavy fermion materials, ranging from unconventional superconductivity to non-Fermi-liquid behavior in the vicinity of quantum critical points.

heavy fermion materials↗