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At least 559 records · Page 31

Modular Homogeneous Chromophore–Catalyst Assemblies

Photosynthetic reaction center (RC) proteins convert incident solar energy to chemical energy through a network of molecular cofactors which have been evolutionarily tuned to couple efficient light-harvesting, directional electron transfer, and long-lived charge separation with secondary reaction sequences. These molecular cofactors are embedded within a complex protein environment which precisely positions each cofactor in optimal geometries along efficient electron transfer pathways with localized protein environments facilitating sequential and accumulative charge transfer. By contrast, it is difficult to approach a similar level of structural complexity in synthetic architectures for solar energy conversion. However, by using appropriate self-assembly strategies, we anticipate that molecular modules, which are independently synthesized and optimized for either light-harvesting or redox catalysis, can be organized into spatial arrangements that functionally mimic natural photosynthesis. In this Account, we describe a modular approach to new structural designs for artificial photosynthesis which is largely inspired by photosynthetic RC proteins. We focus on recent work from our lab which uses molecular modules for light-harvesting or proton reduction catalysis in different coordination geometries and different platforms, spanning from discrete supramolecular assemblies to molecule–nanoparticle hybrids to protein-based biohybrids. Molecular modules are particularly amenable to high-resolution characterization of the ground and excited state of each module using a variety of physical techniques; such spectroscopic interrogation helps our understanding of primary artificial photosynthetic mechanisms. In particular, we discuss the use of transient optical spectroscopy, EPR, and X-ray scattering techniques to elucidate dynamic structural behavior and light-induced kinetics and the impact on photocatalytic mechanism. Two different coordination geometries of supramolecular photocatalyst based on the [Ru(bpy)3]2+ (bpy = 2,2'-bipyridine) light-harvesting module with cobaloxime-based catalyst module are compared, with progress in stabilizing photoinduced charge separation identified. These same modules embedded in the small electron transfer protein ferredoxin exhibit much longer charge-separation, enabled by stepwise electron transfer through the native [2Fe-2S] cofactor. We anticipate that the use of interchangeable, molecular modules which can interact in different coordination geometries or within entirely different structural platforms will provide important fundamental insights into the effect of environment on parameters such as electron transfer and charge separation, and ultimately drive more efficient designs for artificial photosynthesis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Analysis of leading edge and trailing edge cover glass samples before and after treatment with advanced satellite contamination removal techniques

Two samples from Long Duration Exposure Facility (LDEF) experiment M0003-4 were analyzed for molecular and particulate contamination prior to and following treatment with advanced satellite contamination removal techniques (CO2 gas/solid jet spray and oxygen ion beam). The pre- and post-cleaning measurements and analyses are presented. The jet spray removed particulates in seconds. The low energy reactive oxygen ion beam removed 5,000 A of photo polymerized organic hydrocarbon contamination in less than 1 hour. Spectroscopic analytical techniques were applied to the analysis of cleaning efficiency including: Fourier transform infrared, Auger, x ray photoemissions, energy dispersive x ray, and ultraviolet/visible. The results of this work suggest that the contamination studied here was due to spacecraft self-contamination enhanced by atomic oxygen plasma dynamics and solar UV radiation. These results also suggest the efficacy for the jet spray and ion beam contamination control technologies for spacecraft optical surfaces.

Hotaling, S. P.↗

Integrated electro- and chemical characterization of sulfide-based solid-state electrolytes

Sulfide solid-state electrolytes (SSEs) represent a critical advancement towards enabling next-generation lithium metal batteries. However, a profound knowledge gap remains in understanding the structure–property relationships inherent to these sulfide SSEs. Electrochemical assessment and spectroscopic tools, such as Raman spectroscopy, offer bench-top ready, non-invasive, powerful avenues for operando and in situ analyses. Despite this potential, the integration of these methodologies, particularly for real-time interrogation, is markedly under-investigated. This review endeavors to catalog the use of diverse electrochemical techniques and spectroscopic tools in elucidating the structural and functional nuances of sulfide SSEs. Through the harmonization of these multifaceted evaluation strategies, our objective is to chart a course towards optimized sulfide SSEs, thereby aiding in the development of informed protocols for a deeper comprehension and understanding of the structure–property relationship and interfacial engineered design of solid-state batteries using sulfide-based SSEs.

36 MATERIALS SCIENCE↗

Opportunities for space surveys of moisture anomalies

Review of a combination of infrared scanning, unsupervised spectroscopic classification, change detection, and perturbation spectroscopy for monitoring anomalous moisture exchange from space. Infrared sensors have been developed which can monitor the solar reflectance from droplet distributions in vegetation and clouds, the absorption of thermal radiation by water vapor, and the microwave attenuation by atmospheric water. Unsupervised spectroscopic classification techniques are emerging which have the potential to subdivide strip maps from infrared scanners into different moisture targets. Intersecting and parallel spacecraft orbits provide opportunities to study the change of recognized targets between two scans and to recognize anomalous moisture exchange from those changes which significantly exceed the statistical uncertainty of the spectroscopic target signature. The new concept of perturbation spectroscopy shows a potential to quantitatively determine the change of integrated water vapor pressure with a minimum of 'atmospheric truth' and with low spectroscopic resolution that is typical of simple interference filters.

Krause, F. R.↗

Probing individual single atom electrocatalyst sites by advanced analytical scanning transmission electron microscopy

Single atom electrocatalysts (SAEs) are promising next-generation materials for promoting a variety of important reactions, such as the oxygen reduction, nitrogen reduction, and CO 2 reduction reactions. While bulk characterization techniques such as X-ray absorption spectroscopy and Mössbauer spectroscopy have significantly enhanced our understanding of these catalysts, direct probing of individual single metal atom sites at the atomic scale is necessary to understand local variations in the properties of these sites and accelerate design and synthesis of improved SAEs. Aberration-corrected scanning transmission electron microscopy (STEM) has become a powerful tool for providing this type of atomic-scale information about SAE metal sites. These sites are typically unstable under the electron beam, however, which, in combination with conventional acquisition methods and detectors, has limited the type and quantity of information obtainable by spectroscopic STEM techniques. Here, we map multiple individual SAE metal sites in a nitrogen-doped carbon containing atomically dispersed Fe and Re (FeReNC) at the atomic scale by direct electron detection electron energy-loss spectroscopy (EELS). Direct electron detection provides an improved signal-to-noise ratio over conventional scintillator-based detectors and enables detection and real space localization of weak signals. In addition, we demonstrate an automated method for identification of metal atom positions, placement of the probe on these sites, and simultaneous EELS and energy dispersive X-ray spectroscopic (EDS) signal acquisition. This simultaneous acquisition of EELS and EDS provides access to the composition and bonding of a wide range of SAE metal sites. In this study, focusing the probe directly on the metal sites also increases the relevant data acquisition rate by more than an order of magnitude over two-dimensional mapping, enabling improved statistical measurements of site properties. The versatility, sensitivity, and speed that these techniques provide enhances our ability to probe the local elemental and chemical environment of a large number of individual SAE metal site structures at the atomic scale, enabling an improved understanding of the variations in the local properties of these electrocatalysts to be gained. As a result, significantly increased information about individual metal sites will be available to future electrochemical studies through these techniques, accelerating the development of advanced SAEs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structural and electronic properties of V{sub 2}O{sub 3} ultrathin film on Ag(001): LEED and photoemission study

V{sub 2}O{sub 3} ultrathin films were grown on Ag(001) substrate by reactive evaporation of vanadium (V) metal in presence of oxygen and their structural and electronic properties were studied by Low Energy Electron Diffraction (LEED), X-ray Photo Electron Spectroscopy (XPS) and Angle Resolved Photoemission Spectroscopic (ARPES) techniques, respectively. On top of square symmetry substrate Ag(001), hexagonal surface of V{sub 2}O{sub 3} (0001) is stabilized in the form of two domain structure, rotated by 30°(or 90°)to each other, has been observed by LEED. Rather than epitaxial flat monolayer, formation of well-ordered V{sub 2}O{sub 3} (0001) island has been confirmed from the LEED and the Photoemission Spectroscopic (PES) study. Stoichiometry of the grown film was confirmed by the XPS study. Evolution of valance band electronic structure of V{sub 2}O{sub 3} (0001) surface has been studied as a function of film thickness by ARPES.

36 MATERIALS SCIENCE↗

Neutron inelastic scattering measurements on Xe 136 at E n = 0.7 to 100 MeV

Experiments searching for neutrinoless double ${\beta}$ decay ($0{\nu}{\beta}{\beta}$) require precise energy calibration and extremely low backgrounds. One of the most popular isotopes for $0{\nu}{\beta}{\beta}$ experiments is $^{136}\mathrm{Xe}$. In support of these experiments, the neutron inelastic scattering properties of this isotope have been measured at the GErmanium Array for Neutron Induced Excitations (GEANIE) at the Los Alamos Neutron Science Center. Time-of-flight techniques are utilized with high-purity germanium detectors to search for inelastic scattering ${\gamma}$ rays for neutron energies between 0.7 and 100 MeV. Limits are set on production of yet-unobserved ${\gamma}$ rays in the energy range critical for $0{\nu}{\beta}{\beta}$ studies, and measurements are made of multiple ${\gamma}$-ray production cross sections. In particular, we have measured the production of the 1313 keV ${\gamma}$ ray, which comes from the transition of the first-excited to ground state of $^{136}\mathrm{Xe}$. This neutron-induced ${\gamma}$ line may be useful for a novel energy calibration technique.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Copper Electrode on Flexible Substrate by Intense Pulsed Light Sintering of Microsized Copper Particles

Metal electrodes deposited in a grid pattern onto flexible polymer substrates have been shown to be a viable alternative to replace indium tin oxide (ITO) as the transparent anode for organic photovoltaics. copper may be a better alternative in terms of cost and stability for large area low-cost solar modules, specifically on roll-to-roll platforms. These customized electrode patterns can be fabricated from copper nanoparticles through various printing techniques applicable to solution phase processing. The Intense Pulsed Light (IPL) technique has been used to sinter copper nanoparticles (~100nm) to fabricate conductive copper electrodes on flexible polymer substrates. However, compared to nanosized (~100 nm) copper particles, microsized (~2 um) copper is much cheaper. In this work, microsized (~2 um) copper is used to produce high conductive copper inks. The conductivity of the print can be adjusted through the use of surfactant. IPL sintering was optimized to obtain high conductivity copper films. In conclusion, several microscopic and electrical spectroscopic characterization techniques such as scanning electron microscopy (SEM), x-ray diffraction (XRD), 4-point probe resistivity measurements were employed to characterize the copper electrodes.

14 SOLAR ENERGY↗

Influence of annealing temperature and Sn doping on the optical properties of hematite thin films determined by spectroscopic ellipsometry

Hematite (α-Fe{sub 2}O{sub 3}) thin films were prepared by sol-gel route and investigated for application in H{sub 2} generation by photo-assisted water splitting. The photoelectrochemical (PEC) performance was shown to increase significantly for films deposited on SnO{sub 2}:F/glass subjected to high temperature (T) annealing (>750 °C). Strong correlation was found between photogenerated current, donor concentration, and Sn concentration as determined by Mott-Schottky analysis and X-ray photoelectron spectroscopy. The effects of thermal annealing and Sn addition in the resulting microstructure and optical properties of hematite films deposited on fused silica substrates were determined by a combination of structural characterization techniques and spectroscopic ellipsometry. Thermal annealing (>600 °C) induces a higher optical absorption that is associated directly to film densification and grain growth; however, it promotes no changes in the energy positions of the main Fe{sub 2}O{sub 3} electronic transitions. The band gap energy was found to be 2.21 eV and independent of microstructure and of Sn concentration for all studied films. On the other hand, Sn can be incorporated in the Fe{sub 2}O{sub 3} lattice for concentration up to Sn/Fe ∼2%, leading to an increase in energy split of the main absorption peak, attributed to a distortion of the Fe{sub 2}O{sub 3} lattice. For higher concentrations, Sn incorporation leads to a reduction in absorption, associated with higher porosity and the formation of a secondary Sn-rich phase. In summary, the variation in the optical properties induced by thermal annealing and Sn addition cannot account for the order of magnitude increase of the current density generated by photoanodes annealed at high T (>750 °C); thus, it is concluded that the major contribution for the enhanced PEC performance comes from improved electronic properties induced by the n-type doping caused by Sn diffusion from the SnO{sub 2}:F substrate.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Rethinking CO Antibiosignatures in the Search for Life Beyond the Solar System

Some atmospheric gases have been proposed as counter indicators to the presence of life on an exoplanet if remotely detectable at sufficient abundance (i.e., antibiosignatures), informing the search for biosignatures and potentially fingerprinting uninhabited habitats. However, the quantitative extent to which putative antibiosignatures could exist in the atmospheres of inhabited planets is not well understood. The most commonly referenced potential antibiosignature is CO, because it represents a source of free energy and reduced carbon that is readily exploited by life on Earth and is thus often assumed to accumulate only in the absence of life. Yet, biospheres actively produce CO through biomass burning, photooxidation processes, and release of gases that are photochemically converted into CO in the atmosphere. We demonstrate with a 1D ecosphere-atmosphere model that reducing biospheres can maintain CO levels of approximately 100 ppmv (parts per million by volume) even at low H2 fluxes due to the impact of hybrid photosynthetic ecosystems. Additionally, we show that photochemistry around M dwarf stars is particularly favorable for the buildup of CO, with plausible concentrations for inhabited, oxygen-rich planets extending from hundreds of ppm to several percent. Since CH4 buildup is also favored on these worlds, and because O2 and O3 are likely not detectable with the James Webb Space Telescope, the presence of high CO (greater than 100 ppmv) may discriminate between oxygen-rich and reducing biospheres with near-future transmission observations. These results suggest that spectroscopic detection of CO can be compatible with the presence of life and that a comprehensive contextual assessment is required to validate the significance of potential antibiosignatures.

Earth↗

Ellipsometric study of Al2O3/Ag/Si and SiO2/Ag/quartz ashed in an oxygen plasma

The growth of silver oxide (proposed as a potentially useful protective coating for space environment) on a silver mirror coated with an Al2O3 or a SiO2 protective layer was investigated using the monolayer-sensitive variable angle of incidence spectroscopic ellipsometry technique. The samples were exposed to a pure oxygen plasma in a plasma asher, and the silver oxide growth was monitored as a function of the exposure time. It was found that atomic oxygen in the asher penetrated through the SiO2 or Al2O3 coatings to convert the silver underneath to silver oxide, and that the quantity of the silver oxide formed was proportional to the ashing time. The band gap of silver oxide was determined to be 1.3 eV. A schematic diagram of the variable angle of incidence spectroscopic ellipsometer is included.

De, Bhola N.↗

SPT-GMOS: A GEMINI/GMOS-SOUTH SPECTROSCOPIC SURVEY OF GALAXY CLUSTERS IN THE SPT-SZ SURVEY

We present the results of SPT-GMOS, a spectroscopic survey with the Gemini Multi-Object Spectrograph (GMOS) on Gemini South. The targets of SPT-GMOS are galaxy clusters identified in the SPT-SZ survey, a millimeter-wave survey of 2500 deg{sup 2} of the southern sky using the South Pole Telescope (SPT). Multi-object spectroscopic observations of 62 SPT-selected galaxy clusters were performed between 2011 January and 2015 December, yielding spectra with radial velocity measurements for 2595 sources. We identify 2243 of these sources as galaxies, and 352 as stars. Of the galaxies, we identify 1579 as members of SPT-SZ galaxy clusters. The primary goal of these observations was to obtain spectra of cluster member galaxies to estimate cluster redshifts and velocity dispersions. We describe the full spectroscopic data set and resulting data products, including galaxy redshifts, cluster redshifts, and velocity dispersions, and measurements of several well-known spectral indices for each galaxy: the equivalent width, W , of [O ii] λλ 3727, 3729 and H- δ , and the 4000 Å break strength, D4000. We use the spectral indices to classify galaxies by spectral type (i.e., passive, post-starburst, star-forming), and we match the spectra against photometric catalogs to characterize spectroscopically observed cluster members as a function of brightness (relative to m {sup ⋆}). Finally, we report several new measurements of redshifts for ten bright, strongly lensed background galaxies in the cores of eight galaxy clusters. Combining the SPT-GMOS data set with previous spectroscopic follow-up of SPT-SZ galaxy clusters results in spectroscopic measurements for >100 clusters, or ∼20% of the full SPT-SZ sample.

79 ASTRONOMY AND ASTROPHYSICS↗

The Pristine survey – XX. GTC follow-up observations of extremely metal-poor stars identified from Pristine and LAMOST

Ultra-metal-poor stars (⁠[Fe/H] < –4.0⁠) are very rare, and finding them is a challenging task. Both narrow-band photometry and low-resolution spectroscopy have been useful tools for identifying candidates, and in this work, we combine both approaches. We cross-matched metallicity-sensitive photometry from the Pristine survey with the low-resolution spectroscopic Large Sky Area Multi-Object Fibre Spectroscopic Telescope (LAMOST) data base, and re-analyzed all LAMOST spectra with ⁠[Fe/H] Pristine < –2.5⁠. We find that ~1/3rd of this sample (selected without ⁠[Fe/H] Pristine quality cuts) also have spectroscopic ⁠[Fe/H] < –2.5⁠. From this sample, containing many low signal-to-noise ratio (S/N) spectra, we selected 11 stars potentially having ⁠[Fe/H] < –4.0 or [Fe/H] < –3.0 with very high carbon abundances, and we performed higher S/N medium-resolution spectroscopic follow-up with the Optical System for Imaging and low Resolution Integrated Spectroscopy (OSIRIS) on the 10.4-m Gran Telescopio Canarias (GTC). We confirm their extremely low metallicities, with a mean of [Fe/H] < –3.4⁠, and the most metal-poor star having [Fe/H] < –3.8⁠. Three of these are clearly carbon-enhanced metal-poor (CEMP) stars with +1.65 < [C/Fe] < +2.45⁠. The two most carbon-rich stars are either among the most metal-poor CEMP-s stars or the most carbon-rich CEMP-no stars known, the third is likely a CEMP-no star. We derived orbital properties for the OSIRIS sample and find that only one of our targets can be confidently associated with known substructures/accretion events, and that three out of four inner halo stars have prograde orbits. Large spectroscopic surveys may contain many hidden extremely and ultra-metal-poor stars, and adding additional information from e.g. photometry as in this work can uncover them more efficiently and confidently.

79 ASTRONOMY AND ASTROPHYSICS↗

Quenching of Single-Particle Strength in A=15 Nuclei

Here, absolute cross sections for the addition of s- and d-wave neutrons to 14 C and 14 N have been determined simultaneously via the (d,p) reaction at 10 MeV/u. The difference between the neutron and proton separation energies, ΔS, is around -20 MeV for the 14 C+n system and +8 MeV for 14 N+n. The population of the 1s 1/2 and 0d 5/2 orbitals for both systems is reduced by a factor of approximately 0.5 compared with the independent single-particle model, or about 0.6 when compared with the shell model. This finding strongly contrasts with results deduced from intermediate-energy knockout reactions between similar nuclei on targets of 9 Be and 12 C. The simultaneous technique used removes many systematic uncertainties.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Analysis of the impact of broad absorption lines on quasar redshift measurements with synthetic observations

ABSTRACT Accurate quasar classifications and redshift measurements are increasingly important to precision cosmology experiments. Broad absorption line (BAL) features are present in 15–20 per cent of all quasars, and these features can introduce systematic redshift errors, and in extreme cases produce misclassifications. We quantitatively investigate the impact of BAL features on quasar classifications and redshift measurements with synthetic spectra that were designed to match observations by the Dark Energy Spectroscopic Instrument (DESI) survey. Over the course of 5 yr, DESI aims to measure spectra for 40 million galaxies and quasars, including nearly three million quasars. Our synthetic quasar spectra match the signal-to-noise ratio and redshift distributions of the first year of DESI observations, and include the same synthetic quasar spectra both with and without BAL features. We demonstrate that masking the locations of the BAL features decreases the redshift errors by about 1 per cent and reduces the number of catastrophic redshift errors by about 80 per cent. We conclude that identifying and masking BAL troughs should be a standard part of the redshift determination step for DESI and other large-scale spectroscopic surveys of quasars.

(galaxies:) quasars: absorption↗

Redshift Measurement and Spectral Classification for eBoss Galaxies with the Redmonster Software

“Cosmological redshift surveys” are experiments conducted with astronomical telescopes, imagers, and spectrographs, which map the three-dimensional structure of the universe on the largest scales. These maps are delineated by the positions of galaxies, quasars, and intergalactic hydrogen clouds. When interpreted in the context of Einstein’s theory of gravity, these maps can be used to infer the nature of the contents of the universe, including the mysterious “dark energy” that is driving the expansion of the universe to accelerate. While the directional positions of galaxies and other objects can be measured directly in images of the sky, the third dimension of their position (i.e., their distance from the Earth and the Milky Way Galaxy) must be measured by spectrographs that distribute their light as a function of frequency, enabling a measurement of their cosmological Doppler shift (or “redshift”), which serves as an observable proxy for distance. The largest cosmological redshift surveys, such as the “eBOSS” experiment of the fourth Sloan Digital Sky Survey, collect spectroscopic data for hundreds of thousands to millions of galaxies. Future experiments such as the Dark Energy Spectroscopic Instrument will in turn collect tens of millions of spectra. To be feasible, redshift measurement methods in datasets of this scale must be made with automated software. This paper describes the algorithms, astrophysical templates, and implementation of a new redshift measurement software package that is optimized to run on large numbers of spectra with relatively low signal-to-noise ratio, typical of the most ambitious current and future cosmological redshift surveys. The software is demonstrated on spectroscopic data from the eBOSS survey, with performance that meets the scientific requirements of that experiment. The software is implemented in a general framework that will allow application to spectra from the DESI project in the future.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

$β$-delayed neutron emission studies of 137,138 I and 144,145 Cs performed with trapped ions

A detailed study of the β-delayed neutron emission properties of 137,138 I and 144,145 Cs has been performed by confining ions in the Beta-decay Paul Trap. The daughter ions following β decay emerge from the trapped-ion cloud with negligible scattering allowing reconstruction of the recoil-ion energy from the time of flight. From this information, the neutron-emission branching ratios and neutron-energy spectra were deduced. The results for the 137 I and 144,145 Cs decays are in agreement with previous results performed using direct neutron-detection techniques. In the case of 138 I, a branching ratio of 6.18(50)% is obtained, yielding a value consistent with the more recent results, which are a factor of two larger than measurements made prior to 1978.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗