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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 1,567 records · Page 87
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

C sp 2 –H/F bond activation and borylation with iron

Reduction of [K 2 {( tBu pyrr 2 pyr)Fe} 2 (μ-N 2 )] (1) with two equiv. of KC 8 in the presence of crown-ether 18-C-6 yields the N 2 adduct [{K(18-C-6)} 2 ( tBu pyrr 2 pyr)Fe(N 2 )] (2). Complex 2 heterolytically splits the C sp 2 –H bond of benzene to form [{K(18-C-6)}( tBu pyrr 2 pyr)Fe(C 6 H 5 )] (3), whereby usage of a diboron B 2 pin 2 promotes hydride elimination to form the salt [K(18-C-6)HB 2 Pin 2 ] (4). Similarly, 3 can also be formed by cleavage of the C–F bond of fluorobenzene. Reaction of 3 with ClBcat yields [K(18-C-6)(thf) 2 ][( tBu pyrr 2 pyr)FeCl] (5) and PhBcat and the former can be reduced to 2 to complete a synthetic cycle for heterolytic benzene C–H activation and borylation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Two-phase nc-TiN/a-(C,CN{sub x}) nanocomposite films: A HRTEM and MC simulation study

The grain growth in two-phase nanocomposite Ti-C{sub x}-N{sub y} thin films grown by reactive close-field unbalanced magnetron sputtering in an Ar-N{sub 2} gas mixture with microstructures comprising of nanocrystalline (nc-) Ti(N,C) phase surrounded by amorphous (a-) (C,CN{sub x}) phase was investigated by a combination of high-resolution transmission electron microscopy (HRTEM) and Monte Carlo (MC) simulations. The HRTEM results revealed that amorphous-free solid solution Ti(C,N) thin films exhibited polycrystallites with different sizes, orientations and irregular shapes. The grain size varied in the range between several nanometers and several decade nanometers. Further increase of C content (up to {approx}19 at.% C) made the amorphous phase wet nanocrystallites, which strongly hindered the growth of nanocrystallites. As a result, more regular Ti(C,N) nanocrystallites with an average size of {approx}5 nm were found to be separated by {approx}0.5-nm amorphous phases. When C content was further increased (up to {approx}48 at.% in this study), thicker amorphous matrices were produced and followed by the formation of smaller sized grains with lognormal distribution. Our MC analysis indicated that with increasing amorphous volume fraction (i.e. increasing C content), the transformation from nc/nc grain boundary (GB)-curvature-driven growth to a/nc GB-curvature-driven growth is directly responsible for the observed grain growth from great inhomogeneity to homogeneity process.

36 MATERIALS SCIENCE↗
DOE OSTI2013

A new technique for direct traceability of contact thermometry Co-C eutectic cells to the ITS-90

The eutectic Co-C melting point is a promising system to serve as a thermometric fixed-point in the temperature range above 1084.62 °C (copper freezing point). During the last decade, LNE-Cnam has developed and characterized some fixed-point devices, based on eutectic Co-C alloy, for applications to contact and radiation thermometry. Above 962 °C, the ITS-90 is realized by radiation thermometry by the extrapolation from a Ag, Au or Cu fixed point using the Planck law for radiation. So the only way for assigning a temperature in the scale to a Co-C cell (∼1324 °C) is by radiation thermometry. An indirect method is commonly used to assign a temperature to a high-temperature fixed point (HTFP) cell designed for contact thermometry is to fill a pyrometric cell with the same mixture as the contact thermometry cell. In this case, the temperature assigned to the pyrometric cell is attributed to the contact cell. This paper describes a direct method allowing the determination of the melting temperature realized by a 'contact thermometry' Co-C cell by comparison to a 'radiation thermometry' Co-C cell whose melting temperature was assigned in accordance to the scale by extrapolation from the Cu point. In addition, the same Co-C cell is studied with a standard Pt/Pd thermocouple.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Electronic structure evolution and energy level alignment at C{sub 60}/4,4′-cyclohexylidenebis[N,N-bis(4-methylphenyl) benzenamine]/MoO{sub x}/indium tin oxide interfaces

The electronic structure evolution and energy level alignment have been investigated at interfaces comprising fullerene (C{sub 60})/4,4′-cyclohexylidenebis[N,N-bis(4-methylphenyl) benzenamine] (TAPC)/ molybdenum oxide (MoO{sub x})/ indium tin oxide with ultraviolet photoemission spectroscopy and inverse photoemission spectroscopy. With deposition of TAPC upon MoO{sub x}, a dipole of 1.58 eV was formed at the TAPC/MoO{sub x} interface due to electron transfer from TAPC to MoO{sub x}. The highest occupied molecular orbital (HOMO) onset of TAPC was pinned closed to the Fermi level, leading to a p-doped region and thus increasing the carrier concentration at the very interface. The downward band bending and the resulting built-in field in TAPC were favorable for the hole transfer toward the TAPC/MoO{sub x} interface. The rigid downward shift of energy levels of TAPC indicated no significant interface chemistry at the interface. With subsequent deposition of C{sub 60} on TAPC, a dipole of 0.27 eV was observed at the C{sub 60}/TAPC heterojunction due to the electron transfer from TAPC to C{sub 60}. This led to a drop of the HOMO of TAPC near the C{sub 60}/TAPC interface, and hence further enhanced the band bending in TAPC. The band bending behavior was also observed in C{sub 60}, similarly creating a built-in field in C{sub 60} film and improving the electron transfer away from the C{sub 60}/TAPC interface. It can be deduced from the interface analysis that a promising maximum open circuit voltage of 1.5 eV is achievable in C{sub 60}/TAPC-based organic photovoltaic cells.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Effects of carbon on phosphorus diffusion in SiGe:C and the implications on phosphorus diffusion mechanisms

The use of carbon (C) in SiGe base layers is an important approach to control the base layer dopant phosphorus (P) diffusion and thus enhance PNP heterojunction bipolar transistor (HBT) performance. This work quantitatively investigated the carbon impacts on P diffusion in Si₀.₈₂Ge₀.₁₈:C and Si:C under rapid thermal anneal conditions. The carbon molar fraction is up to 0.32%. The results showed that the carbon retardation effect on P diffusion is less effective for Si₀.₈₂Ge₀.₁₈:C than for Si:C. In Si₀.₈₂Ge₀.₁₈:C, there is an optimum carbon content at around 0.05% to 0.1%, beyond which more carbon incorporation does not retard P diffusion any more. This behavior is different from the P diffusion behavior in Si:C and the B in Si:C and low Ge SiGe:C, which can be explained by the decreased interstitial-mediated diffusion fraction f{sub I}{sup P,SiGe} to 95% as Ge content increases to 18%. Empirical models were established to calculate the time-averaged point defect concentrations and effective diffusivities as a function of carbon and was shown to agree with previous studies on boron, phosphorus, arsenic and antimony diffusion with carbon.

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

Effects of aluminum on epitaxial graphene grown on C-face SiC

The effects of Al layers deposited on graphene grown on C-face SiC substrates are investigated before and after subsequent annealing using low energy electron diffraction (LEED), photoelectron spectroscopy, and angle resolved photoemission. As-deposited layers appear inert. Annealing at a temperature of about 400 °C initiates migration of Al through the graphene into the graphene/SiC interface. Further annealing at temperatures from 500 °C to 700 °C induces formation of an ordered compound, producing a two domain √7× √7R19° LEED pattern and significant changes in the core level spectra that suggest formation of an Al-Si-C compound. Decomposition of this compound starts after annealing at 800 °C, and at 1000 °C, Al is no longer possible to detect at the surface. On Si-face graphene, deposited Al layers did not form such an Al-Si-C compound, and Al was still detectable after annealing above 1000 °C.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

A first-principles study on the B{sub 5}O{sub 5}{sup +/0} and B{sub 5}O{sub 5}{sup −} clusters: The boron oxide analogs of C{sub 6}H{sub 5}{sup +/0} and CH{sub 3}Cl

The concept of boronyl (BO) and the BO/H isolobal analogy build an interesting structural link between boron oxide clusters and hydrocarbons. Based upon global-minimum searches and first-principles electronic structural calculations, we present here the perfectly planar C{sub 2v} B{sub 5}O{sub 5}{sup +} (1, {sup 1}A{sub 1}), C{sub 2v} B{sub 5}O{sub 5} (2, {sup 2}A{sub 1}), and tetrahedral C{sub s} B{sub 5}O{sub 5}{sup −} (3, {sup 1}A′) clusters, which are the global minima of the systems. Structural and molecular orbital analyses indicate that C{sub 2v} B{sub 5}O{sub 5}{sup +} (1) [B{sub 3}O{sub 3}(BO){sub 2}{sup +}] and C{sub 2v} B{sub 5}O{sub 5} (2) [B{sub 3}O{sub 3}(BO){sub 2}] feature an aromatic six-membered boroxol (B{sub 3}O{sub 3}) ring as the core with two equivalent boronyl terminals, similar to the recently reported boronyl boroxine D{sub 3h} B{sub 6}O{sub 6} [B{sub 3}O{sub 3}(BO){sub 3}]; whereas C{sub s} B{sub 5}O{sub 5}{sup −} (3) [B(BO){sub 3}(OBO){sup −}] is characterized with a tetrahedral B{sup −} center, terminated with three BO groups and one OBO unit, similar to the previously predicted boronyl methane T{sub d} B{sub 5}O{sub 4}{sup −} [B(BO){sub 4}{sup −}]. Alternatively, the 1–3 clusters can be viewed as the boron oxide analogs of phenyl cation C{sub 6}H{sub 5}{sup +}, phenyl radical C{sub 6}H{sub 5}, and chloromethane CH{sub 3}Cl, respectively. Chemical bonding analyses also reveal a dual three-center four-electron (3c-4e) π hyperbond in C{sub s} B{sub 5}O{sub 5}{sup −} (3). The infrared absorption spectra of B{sub 5}O{sub 5}{sup +} (1), B{sub 5}O{sub 5} (2), and B{sub 5}O{sub 5}{sup −} (3) and anion photoelectron spectrum of B{sub 5}O{sub 5}{sup −} (3) are predicted to facilitate their forthcoming experimental characterizations. The present work completes the B{sub n}O{sub n}{sup +/0/−} series for n = 1–6 and enriches the analogous relationship between boron oxides and hydrocarbons.

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

Study of the ferroelastic phase transition in the tetraethylammonium compound [N(C{sub 2}H{sub 5}){sub 4}]{sub 2}ZnBr{sub 4} by magic-angle spinning and static NMR

The ferroelastic phase transition of tetraethylammonium compound [N(C{sub 2}H{sub 5}){sub 4}]{sub 2}ZnBr{sub 4} at the phase transition temperature (T{sub C}) = 283 K was characterized by magic-angle spinning (MAS) and static nuclear magnetic resonance (NMR), and confirmed by optical polarizing spectroscopy. The structural geometry near T{sub C} was studied in terms of the chemical shifts and the spin-lattice relaxation times T{sub 1ρ} in the rotating frame for {sup 1}H MAS NMR and {sup 13}C cross-polarization (CP)/MAS NMR. The two inequivalent ethyl groups were distinguishable in the {sup 13}C NMR spectrum, and the T{sub 1ρ} results indicate that they undergo tumbling motion above T{sub C} in a coupled manner. From the {sup 14}N NMR results, the two nitrogen nuclei in the N(C{sub 2}H{sub 5}){sub 4}{sup +} ions were distinguishable above T{sub C}, and the splitting in the spectra below T{sub C} was related to the ferroelastic domains with different orientations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

FORMATION OF C{sub n} MOLECULES IN OXYGEN-RICH INTERIORS OF TYPE II SUPERNOVAE

Two reaction-rate-based kinetic models for condensation of carbon dust via the growth of precursor linear carbon chains are currently under debate: the first involves the formation of C{sub 2} molecules via radiative association of free C atoms, and the second forms C{sub 2} molecules by the endoergic reaction CO + C {yields} C{sub 2} + O. Both are followed by C captures until the linear chain eventually makes an isomeric transition to ringed carbon on which rapid growth of graphite may occur. These two approaches give vastly different results. Because of the high importance of condensable carbon for current problems in astronomy, we study these competing claims with an intentionally limited reaction rate network which clearly shows that initiation by C + C {yields} C{sub 2} + {gamma} is the dominant pathway to carbon rings. We propose an explanation for why the second pathway is not nearly as effective as its proponents calculated it to be.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

High-resolution oscillator strength measurements of the v' = 0,1 bands of the B-X, C-X, and E-X systems in five isotopologues of carbon monoxide

We report oscillator strengths for six strong vibrational bands between 105.0 and 115.2 nm, associated with transitions from the v = 0 level of the X {sup 1}Σ{sup +} ground state to the v = 0 and 1 levels of the B {sup 1}Σ{sup +}, C {sup 1}Σ{sup +}, and E {sup 1}Π states, in {sup 12}C{sup 16}O, {sup 12}C{sup 17}O, {sup 12}C{sup 18}O, {sup 13}C{sup 16}O, and {sup 13}C{sup 18}O. These measurements extend the development of a comprehensive database of line positions, oscillator strengths, and linewidths of photodissociating transitions for all astrophysically relevant CO isotopologues. The E-X bands, in particular, play central roles in CO photodissociation and fractionation models of interstellar clouds and circumstellar disks including the early solar nebula. The resolving powers of the room-temperature measurements, R = 300,000-400,000, allow for the analysis of individual line strengths within bands; the measurements reveal J-dependences in the branch intensities of the C(v = 0,1)-X(0) and E(v = 0,1)-X(0) bands in all isotopologues. Minimal or no isotopologue dependence was found in the f-values of the C(v = 0,1)-X(0) and E(v = 0,1)-X(0) bands at a ∼5% uncertainty level. Revised dissociation branching ratios for the C(v = 0,1) and E(v = 0,1) levels are computed based on these f-values. The weak isotopologue dependence of the f-values presented here eliminates this mechanism as an explanation for the large {sup 17}O enrichments seen in recent laboratory photolysis experiments on CO at wavelengths from 105 to 108 nm.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

Simulator of galaxy millimeter/submillimeter emission (SÍGAME): The [C ii]–SFR relationship of massive z = 2 main sequence galaxies

We present SÍGAME simulations of the [C II] 157.7 μm fine structure line emission from cosmological smoothed particle hydrodynamics simulations of seven main sequence galaxies at z = 2. Using sub-grid physics prescriptions the gas in our simulations is modeled as a multi-phased interstellar medium comprised of molecular gas residing in giant molecular clouds, an atomic gas phase associated with photo-dissociation regions (PDRs) at the cloud surfaces, and a diffuse, ionized gas phase. Adopting logotropic cloud density profiles and accounting for heating by the local FUV radiation field and cosmic rays by scaling both with local star formation rate (SFR) volume density, we calculate the [C II] emission using a photon escape probability formalism. The [C II] emission peaks in the central ≲1 kpc of our galaxies as do the SFR radial profiles, with most [C II] (≳70%) originating in the molecular gas phase, whereas further out (≳2 kpc), the atomic/PDR gas dominates (≳90%) the [C II] emission, no longer tracing ongoing star formation. Throughout, the ionized gas contribution is negligible (≲3%). The [C II] luminosity versus SFR ([C II]–SFR) relationship, integrated as well as spatially resolved (on scales of 1 kpc), delineated by our simulated galaxies is in good agreement with the corresponding relations observed locally and at high redshifts. In our simulations, the molecular gas dominates the [C II] budget at SFR≳20 M{sub ⊙} yr{sup −1} (Σ{sub SFR} ≳0.5 M{sub ⊙} yr{sup −1} kpc{sup −2}), while atomic/PDR gas takes over at lower SFRs, suggesting a picture in which [C II] predominantly traces the molecular gas in high-density/pressure regions where star formation is ongoing, and otherwise reveals the atomic/PDR gas phase.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

{sup 13}C-METHYL FORMATE: OBSERVATIONS OF A SAMPLE OF HIGH-MASS STAR-FORMING REGIONS INCLUDING ORION-KL AND SPECTROSCOPIC CHARACTERIZATION

We have surveyed a sample of massive star-forming regions located over a range of distances from the Galactic center for methyl formate, HCOOCH{sub 3}, and its isotopologues H{sup 13}COOCH{sub 3} and HCOO{sup 13}CH{sub 3}. The observations were carried out with the APEX telescope in the frequency range 283.4-287.4 GHz. Based on the APEX observations, we report tentative detections of the {sup 13}C-methyl formate isotopologue HCOO{sup 13}CH{sub 3} toward the following four massive star-forming regions: Sgr B2(N-LMH), NGC 6334 IRS 1, W51 e2, and G19.61-0.23. In addition, we have used the 1 mm ALMA science verification observations of Orion-KL and confirm the detection of the {sup 13}C-methyl formate species in Orion-KL and image its spatial distribution. Our analysis shows that the {sup 12}C/{sup 13}C isotope ratio in methyl formate toward the Orion-KL Compact Ridge and Hot Core-SW components (68.4 ± 10.1 and 71.4 ± 7.8, respectively) are, for both the {sup 13}C-methyl formate isotopologues, commensurate with the average {sup 12}C/{sup 13}C ratio of CO derived toward Orion-KL. Likewise, regarding the other sources, our results are consistent with the {sup 12}C/{sup 13}C in CO. We also report the spectroscopic characterization, which includes a complete partition function, of the complex H{sup 13}COOCH{sub 3} and HCOO{sup 13}CH{sub 3} species. New spectroscopic data for both isotopomers H{sup 13}COOCH{sub 3} and HCOO{sup 13}CH{sub 3}, presented in this study, have made it possible to measure this fundamentally important isotope ratio in a large organic molecule for the first time.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

VERTICAL DISTRIBUTION OF C{sub 3}-HYDROCARBONS IN THE STRATOSPHERE OF TITAN

Motivated by the recent detection of propene (C{sub 3}H{sub 6}) in the atmosphere of Titan, we use a one-dimensional Titan photochemical model with an updated eddy diffusion profile to systematically study the vertical profiles of the stable species in the C{sub 3}-hydrocarbon family. We find that the stratospheric volume mixing ratio of propene (C{sub 3}H{sub 6}) peaks at 150 km with a value of 5 × 10{sup −9}, which is in good agreement with recent observations by the Composite Infrared Spectrometer on the Cassini spacecraft. Another important species that is currently missing from the hydrocarbon family in Titan's stratosphere is allene (CH{sub 2}CCH{sub 2}), an isomer of methylacetylene (CH{sub 3}C{sub 2}H). We predict that its mixing ratio in the stratosphere is about 10{sup −9}, which is on the margin of the detection limit. CH{sub 2}CCH{sub 2} and CH{sub 3}C{sub 2}H equilibrate at a constant ratio in the stratosphere by hydrogen-exchanging reactions. Thus, by precisely measuring the ratio of CH{sub 2}CCH{sub 2} to CH{sub 3}C{sub 2}H, the abundance of atomic hydrogen in the atmosphere can be inferred. No direct yield for the production of cyclopropane (c-C{sub 3}H{sub 6}) is available. From the discharge experiments of Navarro-González and Ramírez, the abundance of cyclopropane is estimated to be 100 times less than that of C{sub 3}H{sub 6}.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

C III] EMISSION IN STAR-FORMING GALAXIES NEAR AND FAR

We measure [C iii] 1907, C iii] 1909 Å emission lines in 11 gravitationally lensed star-forming galaxies at z ∼ 1.6–3, finding much lower equivalent widths than previously reported for fainter lensed galaxies. While it is not yet clear what causes some galaxies to be strong C iii] emitters, C iii] emission is not a universal property of distant star-forming galaxies. We also examine C iii] emission in 46 star-forming galaxies in the local universe, using archival spectra from GHRS, FOS, and STIS on HST and IUE. Twenty percent of these local galaxies show strong C iii] emission, with equivalent widths < −5 Å. Three nearby galaxies show C iii] emission equivalent widths as large as the most extreme emitters yet observed in the distant universe; all three are Wolf–Rayet galaxies. At all redshifts, strong C iii] emission may pick out low-metallicity galaxies experiencing intense bursts of star formation. Such local C iii] emitters may shed light on the conditions of star formation in certain extreme high-redshift galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Retrospective analysis of biochemical limitations to photosynthesis in 49 species: C 4 crops appear still adapted to pre‐industrial atmospheric [ CO 2 ]

Abstract Leaf CO 2 uptake ( A ) in C 4 photosynthesis is limited by the maximum apparent rate of PEPc carboxylation ( V pmax ) at low intercellular [CO 2 ] ( c i ) with a sharp transition to a c i ‐saturated rate ( V max ) due to co‐limitation by ribulose‐1:5‐bisphosphate carboxylase/oxygenase (Rubisco) and regeneration of PEP. The response of A to c i has been widely used to determine these two parameters. V max and V pmax depend on different enzymes but draw on a shared pool of leaf resources, such that resource distribution is optimized, and A maximized, when V max and V pmax are co‐limiting. We collected published A / c i curves in 49 C 4 species and assessed variation in photosynthetic traits between phylogenetic groups, and as a function of atmospheric [CO 2 ]. The balance of V max ‐ V pmax varied among evolutionary lineages and C 4 subtypes. Operating A was strongly V max ‐limited, such that re‐allocation of resources from V pmax towards V max was predicted to improve A by 12% in C 4 crops. This would not require additional inputs but rather altered partitioning of existing leaf nutrients, resulting in increased water and nutrient‐use efficiency. Optimal partitioning was achieved only in plants grown at pre‐industrial atmospheric [CO 2 ], suggesting C 4 crops have not adjusted to the rapid increase in atmospheric [CO 2 ] of the past few decades.

Pignon, Charles P.↗
DOE OSTI2018

The role of alanine and aspartate aminotransferases in C 4 photosynthesis

Alanine and aspartate are essential transfer metabolites for C 4 species of the NAD-malic enzyme and the phosphoenolpyruvate carboxykinase subtype. To some degree both amino acids are also part of the metabolite shuttle in NADP-malic enzyme plants. In comparison with C 3 species, the majority of C 4 species are therefore characterised by enhanced expression and activity of alanine and aspartate aminotransferases in the photosynthetically active tissue. Both enzymes exist in multiple copies and have been found in different subcellular compartments. We tested whether different C 4 species show preferential recruitment of enzymes from specific lineages and subcellular compartments. Phylogenetic analysis of alanine and aspartate aminotransferases from a variety of monocot and eudicot C 4 species and their C 3 relatives was combined with subcellular prediction tools and the analysis of the according transcript amounts in mature leaves. Recruitment of aspartate aminotransferases from a specific subcellular compartment was strongly connected to the biochemical subtype. Deviation from the main model was however observed in G. gynandra. The configuration of alanine aminotransferases was generally different in monocot and eudicot species. C 4 monocots recruited an alanine aminotransferase from a specific cytosolic branch, but eudicots use alanine aminotransferase copies from a mitochondrial branch. Generally, plants display high plasticity in the setup of the C 4 pathway. Beside the common models for the different C 4 subtypes, individual solutions were found for plant groups or lineages.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2015

Li induced effects in the core level and π-band electronic structure of graphene grown on C-face SiC

Studies of the effects induced in the electronic structure after Li deposition, and subsequent heating, on graphene samples prepared on C-face SiC are reported. The as prepared graphene samples are essentially undoped, but after Li deposition, the Dirac point shifts down to 1.2 eV below the Fermi level due to electron doping. The shape of the C 1s level also indicates a doping concentration of around 10{sup 14 }cm{sup −2} after Li deposition, when compared with recent calculated results of core level spectra of graphene. The C 1s, Si 2p, and Li 1s core level results show little intercalation directly after deposition but that most of the Li has intercalated after heating at 280 °C. Heating at higher temperatures leads to desorption of Li from the sample, and at 1030 °C, Li can no longer be detected on the sample. The single π-band observable from multilayer C-face graphene samples in conventional angle resolved photoelectron spectroscopy is reasonably sharp both on the initially prepared sample and after Li deposition. After heating at 280 °C, the π-band appears more diffuse and possibly split. The Dirac point becomes located at 0.4 eV below the Fermi level, which indicates occurrence of a significant reduction in the electron doping concentration. Constant energy photoelectron distribution patterns extracted from the as prepared graphene C-face sample and also after Li deposition and heating at 280 °C look very similar to earlier calculated distribution patterns for monolayer graphene.

42 ENGINEERING↗
DOE OSTI2016

The rotate-plus-shift C-arm trajectory. Part I. Complete data with less than 180° rotation

Purpose: In the last decade, C-arm-based cone-beam CT became a widely used modality for intraoperative imaging. Typically a C-arm CT scan is performed using a circular or elliptical trajectory around a region of interest. Therefore, an angular range of at least 180° plus fan angle must be covered to ensure a completely sampled data set. However, mobile C-arms designed with a focus on classical 2D applications like fluoroscopy may be limited to a mechanical rotation range of less than 180° to improve handling and usability. The method proposed in this paper allows for the acquisition of a fully sampled data set with a system limited to a mechanical rotation range of at least 180° minus fan angle using a new trajectory design. This enables CT like 3D imaging with a wide range of C-arm devices which are mainly designed for 2D imaging. Methods: The proposed trajectory extends the mechanical rotation range of the C-arm system with two additional linear shifts. Due to the divergent character of the fan-beam geometry, these two shifts lead to an additional angular range of half of the fan angle. Combining one shift at the beginning of the scan followed by a rotation and a second shift, the resulting rotate-plus-shift trajectory enables the acquisition of a completely sampled data set using only 180° minus fan angle of rotation. The shifts can be performed using, e.g., the two orthogonal positioning axes of a fully motorized C-arm system. The trajectory was evaluated in phantom and cadaver examinations using two prototype C-arm systems. Results: The proposed trajectory leads to reconstructions without limited angle artifacts. Compared to the limited angle reconstructions of 180° minus fan angle, image quality increased dramatically. Details in the rotate-plus-shift reconstructions were clearly depicted, whereas they are dominated by artifacts in the limited angle scan. Conclusions: The method proposed here employs 3D imaging using C-arms with less than 180° rotation range adding full 3D functionality to a C-arm device retaining both handling comfort and the usability of 2D imaging. This method has a clear potential for clinical use especially to meet the increasing demand for an intraoperative 3D imaging.

60 APPLIED LIFE SCIENCES↗