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At least 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Metal–organic frameworks as O 2 -selective adsorbents for air separations

Oxygen is a critical gas in numerous industries and is produced globally on a gigatonne scale, primarily through energy-intensive cryogenic distillation of air. The realization of large-scale adsorption-based air separations could enable a significant reduction in associated worldwide energy consumption and would constitute an important component of broader efforts to combat climate change. Certain small-scale air separations are carried out using N 2 -selective adsorbents, although the low capacities, poor selectivities, and high regeneration energies associated with these materials limit the extent of their usage. In contrast, the realization of O 2 -selective adsorbents may facilitate more widespread adoption of adsorptive air separations, which could enable the decentralization of O 2 production and utilization and advance new uses for O 2 . Here, we present a detailed evaluation of the potential of metal–organic frameworks (MOFs) to serve as O 2 -selective adsorbents for air separations. Drawing insights from biological and molecular systems that selectively bind O 2 , we survey the field of O 2 -selective MOFs, highlighting progress and identifying promising areas for future exploration. As a guide for further research, the importance of moving beyond the traditional evaluation of O 2 adsorption enthalpy, ΔH, is emphasized, and the free energy of O 2 adsorption, ΔG, is discussed as the key metric for understanding and predicting MOF performance under practical conditions. Based on a proof-of-concept assessment of O 2 binding carried out for eight different MOFs using experimentally derived capacities and thermodynamic parameters, we identify two existing materials and one proposed framework with nearly optimal ΔG values for operation under user-defined conditions. While enhancements are still needed in other material properties, the insights from the assessments herein serve as a guide for future materials design and evaluation. Computational approaches based on density functional theory with periodic boundary conditions are also discussed as complementary to experimental efforts, and new predictions enable identification of additional promising MOF systems for investigation.

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

Surface engineering of Pt nanocatalysts with transition metal oleates for selective catalysis: a case study on the hydrogenation of α,β-unsaturated aldehydes

Selective and active catalysts enable effective use of feedstocks, reduced energy consumption and waste generation. Tuning the electronic structure of heterogeneous metal nanocatalysts via their surface modifications is a promising strategy to design highly selective and active catalysts for the synthesis of harder to make and more cost-efficient products. Here, we introduce transition metal oleates as a new class of ligands to engineer the catalytically active and very selective surface in organic solvents. Using citral hydrogenation and 5 nm Pt NPs as a model reaction and model catalytic system, respectively, we show that surface engineering of Pt nanocatalysts with metal oleates allows synthesis of desired partially hydrogenated product (geraniol) with ∼90% conversion with selectivity over 93%. We demonstrate that the selective synthesis of the unsaturated alcohols catalyzed by Pt NPs modified by adsorption of the transition metal salts cannot be explained by the widely accepted mechanism of preferred coordination of C$=$O groups by Lewis acids (e.g. partially oxidized transition surface metals). Our results indicate that C$=$O groups prefer to bind to negatively charged surfaces. We propose the explanation on how the adsorption of transition metal oleates can result in the increased electron density at the surface of Pt nanoparticles. Our study not only provides reliable solutions to selective hydrogenation but opens a new possibility of using metal oleates for the electronic ligand effect.

Kwon, Soon Gu [Argonne National Laboratory (ANL), ↗
DOE OSTI2024

Highly efficient semi-hydrogenation in strained ultrathin PdCu shell and the atomic deciphering for the unlocking of activity-selectivity

Excellent ethylene selectivity in acetylene semi-hydrogenation is often obtained at the expense of activity. To break the activity-selectivity trade-off, precise control and in-depth understanding of the three-dimensional atomic structure of surfacial active sites are crucial. Here, we designed a novel Au@PdCu core–shell nanocatalyst featuring diluted and stretched Pd sites on the ultrathin shell (1.6 nm), which showed excellent reactivity and selectivity, with 100% acetylene conversion and 92.4% ethylene selectivity at 122 °C, and the corresponding activity was 3.3 times higher than that of the PdCu alloy. The atomic three-dimensional decoding for the activity-selectivity balance was revealed by combining pair distribution function (PDF) and reverse Monte Carlo simulation (RMC). The results demonstrate that a large number of active sites with a low coordination number of Pd–Pd pairs and an average 3.25% tensile strain are distributed on the surface of the nanocatalyst, which perform a pivotal function in the simultaneous improvement of hydrogenation activity and ethylene selectivity. Our work not only develops a novel strategy for unlocking the linear scaling relation in heterogeneous catalysis but also provides a paradigm for atomic 3D understanding of lattice strain in core–shell nanocatalysts.

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

Effect of ZnO and PEDOT:PSS charge selective layers on photovoltage of cuprous oxide (Cu 2 O) heterojunction solar cells

Electrochemical deposition (ECD) of Cu 2 O provides a scalable and low temperature pathway to solar cells with a theoretical high energy conversion efficiency of 23%, based on the 2.0–2.2 eV band gap of Cu 2 O. However, existing ECD-Cu 2 O devices are plagued by poor crystallinity and low selectivity of the electron and hole transport layers. Here we use Vibrating Kelvin Probe Surface Photovoltage Spectroscopy (VKP-SPV) to probe the charge transfer selectivity in FTO/ZnO/Cu 2 O/PEDOT:PSS/Ni heterojunction solar cells. Selective electron extraction is achieved at the ZnO back contact to Cu 2 O, as confirmed by a negative surface photovoltage signal. While the uncoated Cu 2 O surface is electron-selective due to the formation of a hole depletion layer, spin coating of a PEDOT:PSS film turns it into a hole-selective interface. After adding nickel metal ink top electrodes, functional 1.0 cm 2 solar cells with power conversion efficiency (PCE) of up to 0.07%, 195 mV open-circuit voltage, and 1.28 mA cm –2 short-circuit photocurrent are achieved. The photovoltaic performance is higher for aluminum doped zinc oxide (AZO) substrates than for fluorine doped tin oxide (FTO) due to the presence of a n-/p-junction that further increases the electron selectivity of the AZO/ZnO/Cu 2 O contacts. Overall, this work demonstrates the first application of PEDOT:PSS as a hole transport layer (HTL) for Cu 2 O and the use of VKP-SPV to measure the photovoltage contributions of the Cu 2 O interfaces. Furthermore, the ability to fabricate Cu 2 O solar cells at near room temperature without the use of vacuum methods or rare elements is an important step towards a scalable Cu 2 O PV technology.

14 SOLAR ENERGY↗
DOE OSTI2026

Robustness of pairwise kinematic Sunyaev–Zel’dovich effect to optical-cluster-selection bias

The pairwise kinematic Sunyaev–Zel’dovich (kSZ) effect measures both the pairwise motion between galaxy groups and clusters and the amount of gas within them, providing a tracer for cosmic growth. To interpret the cosmological information in the kSZ measurements, it is crucial to understand the optical-cluster-selection bias on the kSZ observables. Line-of-sight structures that contribute to both the optical observable (e.g., richness) and the cosmological signal can induce a correlation between these two quantities at a fixed cluster mass. The selection bias arising from this correlation is a key systematic effect for cosmological analyses. For cosmological observables such as cluster abundance and weak lensing, controlling this selection bias may help explain the tension between the DES-Y1 results and the Planck constraints. In order to test for a kSZ effect equivalent of such a bias, we adopted an alternative mock richness based on galaxy counts within cylindrical volumes along the line of sight. We applied the cylindrical count method to hydrodynamical simulations across a wide range of galaxy-selection criteria, assigning richness consistent with DES-Y1 to the mock clusters. When comparing optically selected clusters to mass-selected halos, we find no significant bias on pairwise kSZ signals, pairwise velocities, or optical depth within our uncertainty limits of approximately 16, 10, and 8%, respectively.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Suppression of clustering of CF{sub 3}Br molecules with argon atoms by CO{sub 2} laser radiation in gas-dynamic expansion of a CF{sub 3}Br–Ar mixture: bromine isotope selectivity

We present the study of suppressing the clustering of CF{sub 3}Br molecules with argon atoms under gas-dynamic expansion of the CF{sub 3}Br–Ar mixture at a nozzle exit by a cw CO{sub 2} laser. The main attention is paid to the analysis of possibility of implementing the selective control of bromine isotope clustering. The method relies on the vibrational excitation of molecules with the laser radiation, which leads to the suppression of their clustering with argon atoms. The experimental setup and the method of study are briefly described. The results of evaluation of the efficiency and selectivity of suppression of molecular–atomic clustering for different compositions of the gas above the nozzle and separations between the irradiation zone and the nozzle exit section are presented. It is shown that under the resonance vibrational excitation of gas-dynamically cooled CF{sub 3}Br molecules at the nozzle exit one can implement bromine isotope selective suppression of clustering of molecules with argon atoms. It is found that by controlling the clustering of CF{sub 3}Br molecules with argon atoms one can implement considerably higher enrichment and selectivity factors than in the case of controlling the clustering of CF{sub 3}Br molecules with each other. Thus, using the CF{sub 3}Br–Ar mixture (the ratio of pressures 1 : 100 and 1 : 200) the enrichment factors for the bromine isotopes K{sub enr}({sup 81}Br) = 1.50 ± 0.13 and 1.30 ± 0.09, respectively, were obtained under the conditions of irradiating the jet at the 9R(30) line of the laser (ν = 1084.635 cm{sup −1}). The selectivity α of the suppression of clustering of CF{sub 3}Br molecules with argon atoms, achieved in this case, amounted to 4.02 ± 0.19 and 2.31 ± 0.11, respectively. The results show that the method allows one to selectively control the clustering of molecules, comprising isotopes of heavy elements that possess a small isotopic shift in the IR absorption spectra. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Infrared laser-induced isotope-selective dissociation of mixed (CF{sub 3}Br){sub m}Ar{sub n} van der Waals clusters

The paper presents the results of studies of IR laser-induced bromine-isotope-selective dissociation of small mixed (CF{sub 3}Br){sub m}Ar{sub n} van der Waals clusters (m = 1, 2 and 1 ≤ n ≤ 5 is the number of molecules and atoms in the clusters, respectively). The experiments used a pulsed CO{sub 2} laser to excite clusters and a quadrupole mass spectrometer to detect a molecular cluster beam. The research method is based on the selective vibrational excitation of clusters by IR laser radiation, leading to their predissociation. The possibilities of implementing bromine-isotope-selective dissociation of clusters are considered. The experimental setup and research method are briefly described. The results of determining the cluster dissociation efficiency and selectivity as functions of the energy and frequency of laser radiation are presented. It is shown that resonant vibrational excitation of clusters makes it possible to induce their isotope-selective dissociation. Thus, using a CF{sub 3}Br/Ar mixture with a pressure ratio of 1/200, the enrichment factors of the {sup 79}Br isotope are found to be K{sub enr}({sup 79}Br) = 1.15 ± 0.04 and 0.95 ± 0.03 under cluster irradiation conditions on the 9R(30) (ν = 1084.635 cm{sup −1}) and 9R(24) (ν = 1081.087 cm{sup −1}) lines, respectively The achieved dissociation selectivities for the clusters are, respectively, 1.16 ± 0.05 and 0.95 ± 0.04. The results obtained suggest that this method can be used to separate isotopes in molecules containing isotopes of heavy elements, which have a slight isotopic shift in the IR absorption spectra. (laser isotope separation)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Structural Basis of Cyclic Nucleotide Selectivity in cGMP-dependent Protein Kinase II

Membrane-bound cGMP-dependent protein kinase (PKG) II is an important regulator of bone growth, renin secretion, and memory formation. Despite its crucial physiological roles, little is known about its cyclic nucleotide selectivity mechanism due to a lack of structural information. Here, we find that the C-terminal cyclic nucleotide binding (CNB-B) domain of PKGII binds cGMP with higher affinity and selectivity when compared with its N-terminal CNB (CNB-A) domain. To understand the structural basis of cGMP selectivity, we solved co-crystal structures of the CNB domains with cyclic nucleotides. Our structures combined with mutagenesis demonstrate that the guanine-specific contacts at Asp-412 and Arg-415 of the αC-helix of CNB-B are crucial for cGMP selectivity and activation of PKG II. Structural comparison with the cGMP selective CNB domains of human PKG I and Plasmodium falciparum PKG (PfPKG) shows different contacts with the guanine moiety, revealing a unique cGMP selectivity mechanism for PKG II.

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

Substrate-selective Inhibition of Cyclooxygeanse-2 by Fenamic Acid Derivatives Is Dependent on Peroxide Tone

Cyclooxygenase-2 (COX-2) catalyzes the oxygenation of arachidonic acid (AA) and endocannabinoid substrates, placing the enzyme at a unique junction between the eicosanoid and endocannabinoid signaling pathways. COX-2 is a sequence homodimer, but the enzyme displays half-of-site reactivity, such that only one monomer of the dimer is active at a given time. Certain rapid reversible, competitive nonsteroidal anti-inflammatory drugs (NSAIDs) have been shown to inhibit COX-2 in a substrate-selective manner, with the binding of inhibitor to a single monomer sufficient to inhibit the oxygenation of endocannabinoids but not arachidonic acid. The underlying mechanism responsible for substrate-selective inhibition has remained elusive. In this work, we utilized structural and biophysical methods to evaluate flufenamic acid, meclofenamic acid, mefenamic acid, and tolfenamic acid for their ability to act as substrate-selective inhibitors. Crystal structures of each drug in complex with human COX-2 revealed that the inhibitor binds within the cyclooxygenase channel in an inverted orientation, with the carboxylate group interacting with Tyr-385 and Ser-530 at the top of the channel. Tryptophan fluorescence quenching, continuous-wave electron spin resonance, and UV-visible spectroscopy demonstrate that flufenamic acid, mefenamic acid, and tolfenamic acid are substrate-selective inhibitors that bind rapidly to COX-2, quench tyrosyl radicals, and reduce higher oxidation states of the heme moiety. Substrate-selective inhibition was attenuated by the addition of the lipid peroxide 15-hydroperoxyeicosatertaenoic acid. Collectively, these studies implicate peroxide tone as an important mechanistic component of substrate-selective inhibition by flufenamic acid, mefenamic acid, and tolfenamic acid.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

REST-FRAME UV-OPTICALLY SELECTED GALAXIES AT 2.3 {approx}< z {approx}< 3.5: SEARCHING FOR DUSTY STAR-FORMING AND PASSIVELY EVOLVING GALAXIES

A new set of color selection criteria (VJL) analogous with the BzK method is designed to select both star-forming galaxies (SFGs) and passively evolving galaxies (PEGs) at 2.3 {approx}< z {approx}< 3.5 by using rest-frame UV-optical (V - J versus J - L) colors. The criteria are thoroughly tested with theoretical stellar population synthesis models and real galaxies with spectroscopic redshifts to evaluate their efficiency and contamination. We apply the well-tested VJL criteria to the HST/WFC3 Early Release Science field and study the physical properties of selected galaxies. The redshift distribution of selected SFGs peaks at z {approx} 2.7, slightly lower than that of Lyman break galaxies at z {approx} 3. Comparing the observed mid-infrared fluxes of selected galaxies with the prediction of pure stellar emission, we find that our VJL method is effective at selecting massive dusty SFGs that are missed by the Lyman break technique. About half of the star formation in massive (M{sub star} > 10{sup 10} M{sub Sun }) galaxies at 2.3 {approx}< z {approx}< 3.5 is contributed by dusty (extinction E(B - V) > 0.4) SFGs, which, however, only account for {approx}20% of the number density of massive SFGs. We also use the mid-infrared fluxes to clean our PEG sample and find that galaxy size can be used as a secondary criterion to effectively eliminate the contamination of dusty SFGs. The redshift distribution of the cleaned PEG sample peaks at z {approx} 2.5. We find six PEG candidates at z > 3 and discuss possible methods to distinguish them from dusty contamination. We conclude that at least part of our candidates are real PEGs at z {approx} 3, implying that these types of galaxies began to form their stars at z {approx}> 5. We measure the integrated stellar mass density (ISMD) of PEGs at z {approx} 2.5 and set constraints on it at z > 3. We find that the ISMD grows by at least about a factor of 10 in 1 Gyr at 3 < z <5 and by another factor of 10 in the next 3.5 Gyr (1 < z < 3).

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

A REDSHIFT SURVEY OF HERSCHEL FAR-INFRARED SELECTED STARBURSTS AND IMPLICATIONS FOR OBSCURED STAR FORMATION

We present Keck spectroscopic observations and redshifts for a sample of 767 Herschel-SPIRE selected galaxies (HSGs) at 250, 350, and 500 {mu}m, taken with the Keck I Low Resolution Imaging Spectrometer and the Keck II DEep Imaging Multi-Object Spectrograph. The redshift distribution of these SPIRE sources from the Herschel Multitiered Extragalactic Survey peaks at z = 0.85, with 731 sources at z < 2 and a tail of sources out to z {approx} 5. We measure more significant disagreement between photometric and spectroscopic redshifts (({Delta}z/(1 + z{sub spec})) = 0.29) than is seen in non-infrared selected samples, likely due to enhanced star formation rates and dust obscuration in infrared-selected galaxies. The infrared data are used to directly measure integrated infrared luminosities and dust temperatures independent of radio or 24 {mu}m flux densities. By probing the dust spectral energy distribution (SED) at its peak, we estimate that the vast majority (72%-83%) of z < 2 Herschel-selected galaxies would drop out of traditional submillimeter surveys at 0.85-1 mm. We find that dust temperature traces infrared luminosity, due in part to the SPIRE wavelength selection biases, and partially from physical effects. As a result, we measure no significant trend in SPIRE color with redshift; if dust temperature were independent of luminosity or redshift, a trend in SPIRE color would be expected. Composite infrared SEDs are constructed as a function of infrared luminosity, showing the increase in dust temperature with luminosity, and subtle change in near-infrared and mid-infrared spectral properties. Moderate evolution in the far-infrared (FIR)/radio correlation is measured for this partially radio-selected sample, with q{sub IR}{proportional_to}(1 + z){sup -0.30{+-}0.02} at z < 2. We estimate the luminosity function and implied star formation rate density contribution of HSGs at z < 1.6 and find overall agreement with work based on 24 {mu}m extrapolations of the LIRG, ULIRG, and total infrared contributions. This work significantly increased the number of spectroscopically confirmed infrared-luminous galaxies at z >> 0 and demonstrates the growing importance of dusty starbursts for galaxy evolution studies and the build-up of stellar mass throughout cosmic time.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Luminous red galaxies: selection and classification by combining optical and infrared photometry

We describe a new method of combining optical and infrared photometry to select luminous red galaxies (LRGs) at redshifts z>0.6. We explore this technique using a combination of optical photometry from CFHTLS and Hubble Space Telescope, infrared photometry from the Wide-Field Infrared Survey Explorer satellite, and spectroscopic or photometric redshifts from the DEEP2 Galaxy Redshift Survey or COSMOS. We present a variety of methods for testing the success of our selection and present methods for optimization given a set of rest-frame color and redshift requirements. We have tested this selection in two different regions of the sky, the COSMOS and Extended Groth Strip (EGS) fields, to reduce the effect of cosmic/sample variance. We have used these methods to assemble large samples of LRGs for two different ancillary programs as a part of the Sloan Digital Sky Survey (SDSS)-III/Baryon Oscillation Spectroscopic Survey. This technique is now being used to select ∼600,000 LRG targets for SDSS-IV/Extended Baryon Oscillation Spectroscopic Survey, which began observations in Fall 2014, and will be adapted for the proposed Dark Energy Spectroscopic Instrument survey. We have found that these methods can select high-redshift LRGs efficiently with minimal stellar contamination; this is extremely difficult to achieve with selections that rely on optical photometry alone.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

THE TIME DOMAIN SPECTROSCOPIC SURVEY: VARIABLE SELECTION AND ANTICIPATED RESULTS

We present the selection algorithm and anticipated results for the Time Domain Spectroscopic Survey (TDSS). TDSS is an Sloan Digital Sky Survey (SDSS)-IV Extended Baryon Oscillation Spectroscopic Survey (eBOSS) subproject that will provide initial identification spectra of approximately 220,000 luminosity-variable objects (variable stars and active galactic nuclei across 7500 deg{sup 2} selected from a combination of SDSS and multi-epoch Pan-STARRS1 photometry. TDSS will be the largest spectroscopic survey to explicitly target variable objects, avoiding pre-selection on the basis of colors or detailed modeling of specific variability characteristics. Kernel Density Estimate analysis of our target population performed on SDSS Stripe 82 data suggests our target sample will be 95% pure (meaning 95% of objects we select have genuine luminosity variability of a few magnitudes or more). Our final spectroscopic sample will contain roughly 135,000 quasars and 85,000 stellar variables, approximately 4000 of which will be RR Lyrae stars which may be used as outer Milky Way probes. The variability-selected quasar population has a smoother redshift distribution than a color-selected sample, and variability measurements similar to those we develop here may be used to make more uniform quasar samples in large surveys. The stellar variable targets are distributed fairly uniformly across color space, indicating that TDSS will obtain spectra for a wide variety of stellar variables including pulsating variables, stars with significant chromospheric activity, cataclysmic variables, and eclipsing binaries. TDSS will serve as a pathfinder mission to identify and characterize the multitude of variable objects that will be detected photometrically in even larger variability surveys such as Large Synoptic Survey Telescope.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

OPTICAL/NEAR-INFRARED SELECTION OF RED QUASI-STELLAR OBJECTS: EVIDENCE FOR STEEP EXTINCTION CURVES TOWARD GALACTIC CENTERS?

We present the results of a search for red QSOs using a selection based on optical imaging from the Sloan Digital Sky Survey (SDSS) and near-infrared imaging from UKIDSS. Our main goal with the selection is to search for QSOs reddened by foreground dusty absorber galaxies. For a sample of 58 candidates (including 20 objects fulfilling our selection criteria that already have spectra in the SDSS), 46 (79%) are confirmed to be QSOs. The QSOs are predominantly dust-reddened except for a handful at redshifts z {approx}> 3.5. However, the dust is most likely located in the QSO host galaxies (and for two, the reddening is primarily caused by Galactic dust) rather than in the intervening absorbers. More than half of the QSOs show evidence of associated absorption (BAL absorption). Four (7%) of the candidates turned out to be late-type stars, and another four (7%) are compact galaxies. We could not identify the remaining four objects. In terms of their optical spectra, these QSOs are similar to the QSOs selected in the FIRST-2MASS Red Quasar Survey except they are on average fainter, more distant, and only two are detected in the FIRST survey. As per the usual procedure, we estimate the amount of extinction using the SDSS QSO template reddened by Small-Magellanic-Cloud-(SMC) like dust. It is possible to get a good match to the observed (rest-frame ultraviolet) spectra, but it is not possible to match the observed near-IR photometry from UKIDSS for nearly all the reddened QSOs. The most likely reasons are that the SDSS QSO template is too red at optical wavelengths due to contaminating host galaxy light and because the assumed SMC extinction curve is too shallow. Three of the compact galaxies display old stellar populations with ages of several Gyr and masses of about 10{sup 10} M{sub Sun} (based on spectral energy distribution modeling). The inferred stellar densities in these galaxies exceed 10{sup 10} M{sub Sun} kpc{sup -2}, which is among the highest measured for early-type galaxies. Our survey has demonstrated that selection of QSOs based on near-IR photometry is an efficient way to select QSOs, including reddened QSOs, with only small contamination from late-type stars and compact galaxies. This will be useful with ongoing and future wide-field near-IR surveys such as the VISTA and EUCLID surveys.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Environment-based selection effects of Planck clusters

We investigate whether the large-scale structure environment of galaxy clusters imprints a selection bias on Sunyaev–Zel'dovich (SZ) catalogues. Such a selection effect might be caused by line of sight (LoS) structures that add to the SZ signal or contain point sources that disturb the signal extraction in the SZ survey. We use the Planck PSZ1 union catalogue in the Sloan Digital Sky Survey (SDSS) region as our sample of SZ-selected clusters. We calculate the angular two-point correlation function (2pcf) for physically correlated, foreground and background structure in the RedMaPPer SDSS DR8 catalogue with respect to each cluster. We compare our results with an optically selected comparison cluster sample and with theoretical predictions. In contrast to the hypothesis of no environment-based selection, we find a mean 2pcf for background structures of -0.049 on scales of ≲40 arcmin, significantly non-zero at ~4σ, which means that Planck clusters are more likely to be detected in regions of low background density. We hypothesize this effect arises either from background estimation in the SZ survey or from radio sources in the background. We estimate the defect in SZ signal caused by this effect to be negligibly small, of the order of ~10 -4 of the signal of a typical Planck detection. Analogously, there are no implications on X-ray mass measurements. However, the environmental dependence has important consequences for weak lensing follow up of Planck galaxy clusters: we predict that projection effects account for half of the mass contained within a 15 arcmin radius of Planck galaxy clusters. We did not detect a background underdensity of CMASS LRGs, which also leaves a spatially varying redshift dependence of the Planck SZ selection function as a possible cause for our findings.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Spin-orbit coupling driven orbital-selective doping effect in Sr 2 Ru 1 - x Ir x O 4

Orbital-selective phenomena in mutliorbital systems have received much attention due to their uniqueness as well as possible connections to other phenomena. As orbital-selectiveness is mostly related to the crystal structure, finding a new control parameter other than structure would be of significant importance. Here in this paper we report discovery of an orbital-selective doping effect in Sr 2 Ru 1 - x Ir x O 4 (SRIO). Our systematic electronic structure study of SRIO reveals an anomalous orbital-selective doping effect and concomitant Lifshitz transitions (LTs) in the γ band. With the help of a tight-binding calculation, we find that the orbital-selective doping effect is due to variation in the spin-orbit coupling (SOC) strength. Our findings not only elucidate the mechanism of LTs in the γ band in SRIO but may also open new avenues for novel SOC-controlled orbital-selective phenomena.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Response of ectomycorrhizal fungi to full and selective removal of an invasive tree in riparian woodland

The Brazilian pepper tree ( Schinus terebinthifolius ) is an invasive species that requires significant disturbance to eradicate. Previous studies have identified associations between the Brazilian pepper tree and ectomycorrhizal fungi (EMF). However, limited research has explored the connection between disturbance from removal and the effect on EMF. This study investigated the sensitivity of EMF and the broader fungal community to the full and selective removal of the Brazilian pepper tree. During the selective removal of Brazilian pepper tree, we examined the mycorrhizal community of the Arroyo willow ( Salix lasiolepis ) to assess the influence of the restoration disturbance on native species. We used ITS2 sequencing to identify the EMF present during the restoration. Our expectation was that both removal efforts would reduce the presence of EMF. Contrary to our predictions, full removal increased EMF richness and relative abundance in the soil. As anticipated, selective removal reduced the richness and relative abundance of EMF associated with soil. Selective removal led to a decrease in the richness of EMF in arroyo willow roots with no effect on relative abundance. Moreover, fungal community composition in soil and roots shifted significantly during selective and full removal. However, the community composition of EMF, specifically, remained constant across treatment types. During full removal efforts, the application of organic soil amendments may have contributed to the increase in the diversity and relative abundance of EMF. Selective removal will require additional measures, such as soil amendments, to curtail the loss of EMF.

Environmental Sciences & Ecology↗
DOE OSTI2020

Highly selective Si 3 N 4 /SiO 2 etching using an NF 3 /N 2 /O 2 /H 2 remote plasma. I. Plasma source and critical fluxes

Highly selective plasma etching of silicon nitride (Si 3 N 4 ), while not etching silicon dioxide (SiO 2 ), is a critical step in the fabrication of microelectronics devices. In many applications, this etching must be damage-free and isotropic, which then motivates the use of remote plasmas where the reactants interacting with the substrate are dominantly neutral species. In this paper and Paper II, mechanisms for highly selective Si 3 N 4 etching in remote plasmas are discussed based on results from experiments and simulations. It has been shown experimentally that high Si 3 N 4 /SiO 2 etch selectivity (≈380) can be achieved in the downstream effluent of an NF 3 /N 2 /O 2 /H 2 plasma. The authors found that H2 plays a principal role in the reaction mechanism as Si 3 N 4 /SiO 2 selectivity shows a sharp maximum as a function of the H2 flow rate. Based on this observation, and measured densities of F-atoms and H2 in the process chamber, a mechanism of selective Si 3 N 4 /SiO 2 etching is proposed in which HF molecules in vibrationally excited states accelerate etching reactions. A reaction mechanism for NF 3 /N 2 /O 2 /H 2 plasmas and its afterglow was developed to computationally determine the species densities and fluxes on the wafer level, validated by comparing with experimentally measured F-atom and H 2 densities. The calculated species densities and fluxes were used as input to an analytical model of Si 3 N 4 and SiO 2 etching based on the results of quantum chemistry simulations. This paper presents experimental results (etching data and species densities), the reaction mechanism for NF 3 /N 2 /O 2 /H 2 plasmas, and the results of simulations of gas phase chemistry. Quantum chemistry simulations of elementary etching reactions, description of the analytical model of Si 3 N 4 and SiO 2 etching, calculations of the etch rates, and Si 3 N 4 and SiO 2 selectivity with this model are presented in Paper II.

42 ENGINEERING↗