Fe2O3/Cu2O Heterostructured Nanocrystals
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Mirtchev, P.↗
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Charge transfer in crystalline germanium/monolayer MoS 2 heterostructures prepared by chemical vapor deposition
Heterostructuring provides novel opportunities for exploring emergent phenomena and applications by developing designed properties beyond those of homogeneous materials. Advances in nanoscience enable the preparation of heterostructures formed incommensurate materials. Two-dimensional (2D) materials, such as graphene and transition metal dichalcogenides, are of particular interest due to their distinct physical characteristics. There have been recent changes in new research areas related to 2D/2D heterostructures. But, other heterostructures such as 2D/three-dimensional (3D) materials have not been thoroughly studied yet although the growth of 3D materials on 2D materials creating 2D/3D heterostructures with exceptional carrier transport properties has been reported. Here also we report a novel heterostructure composed of Ge and monolayer MoS 2 , prepared by chemical vapor deposition. A single crystalline Ge (110) thin film was grown on monolayer MoS 2 . The electrical characteristics of Ge and MoS 2 in the Ge/MoS 2 heterostructure were remarkably different from those of isolated Ge and MoS 2 . The field-effect conductivity type of the monolayer MoS 2 is converted from n-type to p-type by growth of the Ge thin film on top of it. Undoped Ge on MoS 2 is highly conducting. The observations can be explained by charge transfer in the heterostructure as opposed to chemical doping via the incorporation of impurities, based on our first-principles calculations.
36 MATERIALS SCIENCE↗
Condensed-phase biogenic-anthropogenic interactions with implications for cold cloud formation
Anthropogenic and biogenic gas emissions contribute to the formation of secondary organic aerosol (SOA). When present, soot particles from fossil-fuel combustion can acquire a coating of SOA. We investigate SOA-soot biogenic-anthropogenic interactions and their impact on ice nucleation in relation to the particles’ organic phase state. SOA particles were generated from the OH oxidation of naphthalene, α-pinene, longifolene, or isoprene, with or without presence of sulfate or soot particles. Corresponding particle glass transition (T g ) and full deliquescence relative humidity (FDRH) were estimated by a numerical diffusion model. Longifolene SOA particles are solid-like and all biogenic SOA sulfate mixtures exhibit a core-shell configuration (i.e. a sulfate-rich core coated with SOA). Biogenic SOA with or without sulfate formed ice at conditions expected for homogeneous ice nucleation in agreement with respective T g and FDRH. α-pinene SOA coated soot particles nucleated ice above the homogeneous freezing temperature with soot acting as ice nuclei (IN). At lower temperatures the α-pinene SOA coating can be semisolid inducing ice nucleation. Naphthalene SOA coated soot particles acted as IN above and below the homogeneous freezing limit, which can be explained by the presence of a highly viscous SOA phase. Our results suggest that biogenic SOA does not play a significant role in mixed-phase cloud formation and the presence of sulfate further renders this even less likely. Furthermore, anthropogenic SOA may have an enhancing effect on cloud glaciation under mixed-phase and cirrus cloud conditions compared to biogenic SOA that dominate during preindustrial times or in pristine areas.
54 ENVIRONMENTAL SCIENCES↗
A tailored oxide interface creates dense Pt single-atom catalysts with high catalytic activity
Catalytic supremacy of Pt-single atoms achieved by CeO x –TiO 2 interfaces.
Yoo, Mi↗
CAPOS: The bulge Cluster APOgee Survey: III. Spectroscopic tomography of Tonantzintla 2
Here, we performed the first detailed spectral analysis of red giant members of the relatively high-metallicity globular cluster (GC) Tononzintla 2 (Ton 2) using high-resolution near-infrared spectra collected with the Apache Point Observatory Galactic Evolution Experiment II survey (APOGEE-2), obtained as part of the bulge Cluster APOgee Survey. We investigated chemical abundances for a variety of species including the light, odd-Z, α-, Fe-peak, and neutron-capture elements from high S/N spectra of seven giant members. The derived mean cluster metallicity is [Fe/H] = –0.70 ± 0.05, with no evidence for an intrinsic metallicity spread. Ton 2 exhibits a typical α-enrichment that follows the trend for high-metallicity Galactic GCs, similar to that seen in 47 Tucanae and NGC 6380. We find a significant nitrogen spread (> 0.87 dex), and a large fraction of nitrogen-enriched stars that populate the cluster. Given the relatively high-metallicity of Ton 2, these nitrogen-enriched stars are well above the typical Galactic levels, indicating the prevalence of the multiple-population phenomenon in this cluster that also contains several stars with typical low first-generation N abundances. We also identify the presence of [Ce/Fe] abundance spread in Ton 2, which is correlated with the nitrogen enhancement, indicating that the s-process enrichment in this cluster has likely been produced by relatively low-mass asymptotic giant branch stars. Furthermore, we find a mean radial velocity of the cluster, –178.6 ± 0.86 km s –1 , with a small velocity dispersion, 2.99 ± 0.61 km s –1 , which is typical of GCs. We also find a prograde bulge-like orbit for Ton 2 that appears to be radial and highly eccentric. Finally, the considerably nitrogen-enhanced population observed in Ton 2, combined with its dynamical properties, makes this object a potential progenitor for the nitrogen-enriched field stars identified so far toward the bulge region at similar metallicity.
79 ASTRONOMY AND ASTROPHYSICS↗
Galactic ArchaeoLogIcaL ExcavatiOns (GALILEO): I. An updated census of APOGEE N-rich giants across the Milky Way
We use the 17th data release of the second phase of the Apache Point Observatory Galactic Evolution Experiment (APOGEE-2) to provide a homogenous census of N-rich red giant stars across the Milky Way (MW). We report a total of 149 newly identified N-rich field giants toward the bulge, metal-poor disk, and halo of our Galaxy. They exhibit significant enrichment in their nitrogen abundance ratios ([N/Fe] ≳ +0.5), along with simultaneous depletions in their [C/Fe] abundance ratios ([C/Fe] < +0.15), and they cover a wide range of metallicities (-1.8 < [Fe/H] < -0.7). The final sample of candidate N-rich red giant stars with globular-cluster-like (GC-like) abundance patterns from the APOGEE survey includes a grand total of ~412 unique objects. These strongly N-enhanced stars are speculated to have been stripped from GCs based on their chemical similarities with these systems. Even though we have not found any strong evidence for binary companions or signatures of pulsating variability yet, we cannot rule out the possibility that some of these objects were members of binary systems in the past and/or are currently part of a variable system. In particular, the fact that we identify such stars among the field stars in our Galaxy provides strong evidence that the nucleosynthetic process(es) producing the anomalous [N/Fe] abundance ratios occurs over a wide range of metallicities. This may provide evidence either for or against the uniqueness of the progenitor stars to GCs and/or the existence of chemical anomalies associated with likely tidally shredded clusters in massive dwarf galaxies such as “Kraken/Koala”, Gaia-Enceladus-Sausage, among others, before or during their accretion by the MW. In conclusion, a dynamical analysis reveals that the newly identified N-rich stars exhibit a wide range of dynamical characteristics throughout the MW, indicating that they were produced in a variety of Galactic environments.
59 BASIC BIOLOGICAL SCIENCES↗
APOGEE-2S Mg–Al anti-correlation of the metal-poor globular cluster NGC 2298
We present detailed elemental abundances and radial velocities of stars in the metal-poor globular cluster (GC) NGC 2298, based on near-infrared high-resolution ($R$ ~ 22 500) spectra of 12 members obtained during the second phase of the Apache Point Observatory Galactic Evolution Experiment (APOGEE-2) at Las Campanas Observatory as part of the seventeenth Data Release (DR 17) of the Sloan Digital Sky Survey IV (SDSS-IV). We employed the Brussels Automatic Code for Characterizing High accuracy Spectra (BACCHUS) software to investigate abundances for a variety of species including α elements (Mg, Si, and Ca), the odd-Z element Al, and iron-peak elements (Fe and Ni) located in the innermost regions of NGC 2298. We find a mean and median metallicity [Fe/H] = -1.76 and -1.75, respectively, with a star-to-star spread of 0.14 dex, which is compatible with the internal measurement errors. Thus, we find no evidence for an intrinsic [Fe/H] abundance spread in NGC 2298. The typical $α$-element enrichment in NGC 2298 is overabundant relative to the Sun, and it follows the trend of other metal-poor GCs. We confirm the existence of an Al-enhanced population in this cluster, which is clearly anti-correlated with Mg, indicating the prevalence of the multiple-population phenomenon in NGC 2298.
79 ASTRONOMY AND ASTROPHYSICS↗
Using Photon Activation Analysis To Determine Concentrations Of Unknown Components In Reference Materials
Using certified multi-element reference materials for instrumental analyses one frequently is confronted with the embarrassing fact that the concentration of some desired elements are not given in the respective certificate, nonetheless are detectable, e.g. by photon activation analysis (PAA). However, these elements might be determinable with sufficient quality of the results using scaling parameters and the well-known quantities of a reference element within the reference material itself. Scaling parameters include: activation threshold energy, Giant Dipole Resonance (GDR) peak and endpoint energy of the bremsstrahlung continuum; integrated photo-nuclear cross sections for the isotopes of the reference element; bremsstrahlung continuum integral; target thickness; photon flux density. Photo-nuclear cross sections from the unreferenced elements must be known, too. With these quantities, the integral was obtained for both the known and unknown elements resulting in an inference of the concentration of the unreported element based upon the reported value, thus also the concentration of the unreferenced element in the reference material. A similar method to determine elements using the basic nuclear and experimental data has been developed for thermal neutron activation analysis some time ago (k{sub 0} Method).
07 ISOTOPE AND RADIATION SOURCES↗
Obtaining anisotropic velocity data for proper depth seismic imaging
The paper deals with the problem of obtaining anisotropic velocity data due to continuous acoustic impedance-based measurements while scanning in the axial direction along the walls of the borehole. Diagrams of full conductivity of the piezoceramic transducer were used to derive anisotropy parameters of the rock sample. The measurements are aimed to support accurate depth imaging of seismic data. Understanding these common anisotropy effects is important when interpreting data where it is present.
58 GEOSCIENCES↗
Towards nanometer period gratings for hard x-ray phase-contrast imaging
Transmission grating-based x-ray interferometers have been developed into wide-field imaging devices that are sensitive to x-ray refraction and diffraction in the sample. While current grating designs rely on UV and x-ray lithography processes to produce periodic vertical structures, it becomes prohibitively difficult to make the grating periods below 1 - 2 microns due to the high aspect ratios of the structures. Since the phase-contrast sensitivity is inversely related to the grating period, we describe a new grating design for sub-micron to nanometer grating periods. In this design, multiple bi-layers of two alternating materials are deposited on a stair like substrate, and mostly on the floor surfaces of the steps only. The incident x-ray beam is parallel to the planes of the layers (side illumination). Thus, the multilayer structure on each step serves as a micro grating whose grating period is the thickness of a bi-layer. The array of micro gratings over the whole length of the stair can act as a single continuous grating, when certain continuity conditions between neighboring steps are met. Since the layer thickness can be as small as tens of nanometers, as has been demonstrated in multilayer x-ray zone plates, this design allows nanometer grating periods over large grating areas. Here we describe a prototype intensity grating of 440 nm period. We show x-ray projection images of the grating which were obtained by contact lithography.
36 MATERIALS SCIENCE↗
Analytical and experimental studies of leak location and environment characterization for the international space station
The International Space Station program is developing a robotically-operated leak locator tool to be used externally. The tool would consist of a Residual Gas Analyzer for partial pressure measurements and a full range pressure gauge for total pressure measurements. The primary application is to demonstrate the ability to detect NH{sub 3} coolant leaks in the ISS thermal control system. An analytical model of leak plume physics is presented that can account for effusive flow as well as plumes produced by sonic orifices and thruster operations. This model is used along with knowledge of typical RGA and full range gauge performance to analyze the expected instrument sensitivity to ISS leaks of various sizes and relative locations (“directionality”). The paper also presents experimental results of leak simulation testing in a large thermal vacuum chamber at NASA Goddard Space Flight Center. This test characterized instrument sensitivity as a function of leak rates ranging from 1 lb{sub m/}/yr. to about 1 lb{sub m}/day. This data may represent the first measurements collected by an RGA or ion gauge system monitoring off-axis point sources as a function of location and orientation. Test results are compared to the analytical model and used to propose strategies for on-orbit leak location and environment characterization using the proposed instrument while taking into account local ISS conditions and the effects of ram/wake flows and structural shadowing within low Earth orbit.
42 ENGINEERING↗
The impact of sodium on the sub-bandgap states in CZTSe and CZTS
We compare the optically active sub-bandgap states in polycrystalline Cu{sub 2}ZnSnSe{sub 4} (CZTSe) and Cu{sub 2}ZnSnS{sub 4} (CZTS) thin films as a function of sodium content. In all samples studied, we find that CZTSe has a lower concentration of radiative defect-derived states compared to CZTS and that the states are also shallower in CZTSe compared to CZTS. Further, we find that sodium impacts the relative ratios of two sub-bandgap peaks in the 4 K photoluminescence (PL) spectra of CZTSe (one at ∼0.85 eV and another at ∼0.92 eV). We propose that both of these sub-bandgap peaks stem from intrinsic point defects in CZTSe rather than from electronic states introduced by sodium; this is supported by a measurement on a sodium-free single-crystal of CZTSe. We also show that films with stronger emission through the shallower sub-bandgap states at 4 K display room-temperature PL closer to the bandgap energy. For all sodium quantities studied, one broad PL peak is observed in the 4 K PL spectrum of CZTS which also shifts towards the band edge with increasing sodium. A reduced overall defect density and the fact that the states that are present are shallower together may help account for the lower V{sub OC} deficits in CZTSe and the empirical observations that sodium improves device performance.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Assessing Detonator Health Using Rogowski Coil Data
The Rogowski coil is commonly employed to measure rapid changes of electrical currents, especially in high power applications. Here we report the use of the coil to reveal subtle details of exploding bridgewire (EBW) detonator initiation and how the initiation is affected by aging. Detonator accelerated aging studies are aimed at understanding aging mechanisms and enabling predictive capabilities for aging. Rogowski Coil data from detonator accelerated aging studies offer a wealth of information regarding the electrical health of detonator, which is an important and complementary part of a comprehensive accelerated aging study. Herein we present the results of a variety of accelerated aging tests in detonators (thermal cycling, low power current damage, etc.) and the results that the Rogowski Coil affords us and how they inform us about the condition of the detonator.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Demonstration of a two-dimensional divertor Thomson scattering system on DIII-D
Recent upgrades providing two-dimensional divertor Thomson scattering (DTS-2D) measurements of T e and n e during a DIII-D plasma shot and a thorough description of system components and their functionality are presented. This system expands the capabilities of the existing single divertor Floor measurement location by introducing seven additional laser beam path options in the poloidal plane, spanning major radii from 1.062 to 1.335 m. The system redirects ~1 J, 50 Hz Nd:YAG laser pulses to the new beam paths within 20 ms, stepping through each path on the divertor Floor every 200 ms during a plasma shot. The laser is redirected using an ex-vessel, fast-steering mirror to one of eight in-vessel beam paths oriented underneath the vessel tiles. Up to eleven measurement positions per beam path, from –1.35 to –1.13 m below the machine midplane, are available by dynamically refocusing the ex-vessel collection fiber array using a high-speed linear stage. As a result, current measurement positions above the divertor Shelf are retained via a hole in the fixed, in-vessel mirror, allowing laser pass through.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Fiber coupled laser ultrasound system using a single mode hollow core fiber for excitation laser: Theory and demonstration for on-machine thickness gauging
Laser ultrasound (LU) is a technique that uses a pump laser and a probe laser to optically generate and detect elastic waves in a material. Despite its advantages over traditional contact transducer-based ultrasound, industrial adoption has been limited by complex optical setups and the inability of multi-mode fibers to deliver a stable Gaussian profile for the pump laser. Here, we report a fully fiber-coupled thermoelastic LU system that uses an anti-resonant hollow-core single-mode fiber to deliver 1 mJ nanosecond pulses of 1064 nm light, while preserving the fundamental Gaussian mode (pump laser). When combined with a fiber-coupled interferometer (probe laser), a small, flexible, and environmentally robust sensor capable of optically generating and detecting high frequency broadband ultrasound is realized. We demonstrate such an LU system implemented in situ on a four-axis precision lathe. High-resolution thickness gauging is performed, before and after precision cutting, by exciting and measuring a zero-group velocity guided wave mode. The measurements are verified with ex-situ traceable coordinate measuring machine data. Mean absolute deviations of 0.1%, of nominal thickness, before cutting, and 0.2% and 0.3%, after stepped and tapered cuts, respectively, are reported. A theoretical background for thermoelastic ultrasound generation in an elastic waveguide is also presented. Attention is given to the effect of the pump laser profile on wave generation to elucidate the importance of using single-mode laser light. The fiber-coupled system demonstrated is well-suited for use in scientific and engineering sensing applications and facilitates the adoption of LU for industrial non-destructive testing.
Engineering↗
Isotopically nonstationary 13 C flux analysis of changes in Arabidopsis thaliana leaf metabolism due to high light acclimation
Improving plant productivity is an important aim for metabolic engineering. There are few comprehensive methods that quantitatively describe leaf metabolism, although such information would be valuable for increasing photosynthetic capacity, enhancing biomass production, and rerouting carbon flux toward desirable end products. Isotopically nonstationary metabolic flux analysis (INST-MFA) has been previously applied to map carbon fluxes in photoautotrophic bacteria, which involves model-based regression of transient 13 C-labeling patterns of intracellular metabolites. However, experimental and computational difficulties have hindered its application to terrestrial plant systems. Here, we performed in vivo isotopic labeling of Arabidopsis thaliana rosettes with 13 CO 2 and estimated fluxes throughout leaf photosynthetic metabolism by INST-MFA. Plants grown at 200 µmol m $-$2 s $-$1 light were compared with plants acclimated for 9 d at an irradiance of 500 µmol∙m $-$2 ∙s $-$1 . Approximately 1,400 independent mass isotopomer measurements obtained from analysis of 37 metabolite fragment ions were regressed to estimate 136 total fluxes (54 free fluxes) under each condition. The results provide a comprehensive description of changes in carbon partitioning and overall photosynthetic flux after long-term developmental acclimation of leaves to high light. Despite a doubling in the carboxylation rate, the photorespiratory flux increased from 17 to 28% of net CO 2 assimilation with high-light acclimation (Vc/Vo: 3.5:1 vs. 2.3:1, respectively). In conclusion, this study highlights the potential of 13 C INST-MFA to describe emergent flux phenotypes that respond to environmental conditions or plant physiology and cannot be obtained by other complementary approaches.
13C-labeling↗
De novo design of small beta barrel proteins
Small beta barrel proteins are attractive targets for computational design because of their considerable functional diversity despite their very small size (<70 amino acids). However, there are considerable challenges to designing such structures, and there has been little success thus far. Because of the small size, the hydrophobic core stabilizing the fold is necessarily very small, and the conformational strain of barrel closure can oppose folding; also intermolecular aggregation through free beta strand edges can compete with proper monomer folding. Here, we explore the de novo design of small beta barrel topologies using both Rosetta energy–based methods and deep learning approaches to design four small beta barrel folds: Src homology 3 (SH3) and oligonucleotide/oligosaccharide-binding (OB) topologies found in nature and five and six up-and-down-stranded barrels rarely if ever seen in nature. Both approaches yielded successful designs with high thermal stability and experimentally determined structures with less than 2.4 Å rmsd from the designed models. Using deep learning for backbone generation and Rosetta for sequence design yielded higher design success rates and increased structural diversity than Rosetta alone. The ability to design a large and structurally diverse set of small beta barrel proteins greatly increases the protein shape space available for designing binders to protein targets of interest.
59 BASIC BIOLOGICAL SCIENCES↗
Carbon isotope fractionation by an ancestral rubisco suggests that biological proxies for CO 2 through geologic time should be reevaluated
The history of Earth’s carbon cycle reflects trends in atmospheric composition convolved with the evolution of photosynthesis. Fortunately, key parts of the carbon cycle have been recorded in the carbon isotope ratios of sedimentary rocks. The dominant model used to interpret this record as a proxy for ancient atmospheric CO 2 is based on carbon isotope fractionations of modern photoautotrophs, and longstanding questions remain about how their evolution might have impacted the record. Therefore, we measured both biomass (ε p ) and enzymatic (ε Rubisco ) carbon isotope fractionations of a cyanobacterial strain ( Synechococcus elongatus PCC 7942) solely expressing a putative ancestral Form 1B rubisco dating to ≫1 Ga. This strain, nicknamed ANC, grows in ambient pCO 2 and displays larger ε p values than WT, despite having a much smaller ε Rubisco (17.23 ± 0.61‰ vs. 25.18 ± 0.31‰, respectively). Surprisingly, ANC ε p exceeded ANC ε Rubisco in all conditions tested, contradicting prevailing models of cyanobacterial carbon isotope fractionation. Such models can be rectified by introducing additional isotopic fractionation associated with powered inorganic carbon uptake mechanisms present in Cyanobacteria, but this amendment hinders the ability to accurately estimate historical pCO 2 from geological data. Understanding the evolution of rubisco and the CO 2 concentrating mechanism is therefore critical for interpreting the carbon isotope record, and fluctuations in the record may reflect the evolving efficiency of carbon fixing metabolisms in addition to changes in atmospheric CO 2 .
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗