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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Deep XMM–Newton observations of the most distant SPT-SZ galaxy cluster

ABSTRACT We present results from a 577 ks XMM–Newton observation of SPT-CL J0459–4947, the most distant cluster detected in the South Pole Telescope 2500 square degree (SPT-SZ) survey, and currently the most distant cluster discovered through its Sunyaev–Zel’dovich effect. The data confirm the cluster’s high redshift, z = 1.71 ± 0.02, in agreement with earlier, less precise optical/IR photometric estimates. From the gas density profile, we estimate a characteristic mass of $M_{500}=(1.8\pm 0.2)\times 10^{14}\, {\rm M}_{\odot }$; cluster emission is detected above the background to a radius of $\sim \!2.2\, r_{500}$, or approximately the virial radius. The intracluster gas is characterized by an emission-weighted average temperature of 7.2 ± 0.3 keV and metallicity with respect to Solar of $Z/\, Z_{\odot }=0.37\pm 0.08$. For the first time at such high redshift, this deep data set provides a measurement of metallicity outside the cluster centre; at radii $r\gt 0.3\, r_{500}$, we find $Z/\, Z_{\odot }=0.33\pm 0.17$ in good agreement with precise measurements at similar radii in the most nearby clusters, supporting an early enrichment scenario in which the bulk of the cluster gas is enriched to a universal metallicity prior to cluster formation, with little to no evolution thereafter. The leverage provided by the high redshift of this cluster tightens by a factor of 2 constraints on evolving metallicity models, when combined with previous measurements at lower redshifts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Evolution of the Thermodynamic Properties of Clusters of Galaxies out to Redshift of 1.8

The thermodynamic properties of the hot plasma in galaxy clusters retains information on the processes leading to the formation and evolution of the gas in their deep, dark matter potential wells. These processes are dictated not only by gravity but also by gas physics, e.g. AGN feedback and turbulence. Here, we study the thermodynamic properties, e.g. density, temperature, pressure, and entropy, of the most massive and the most distant (z > 1.2) SPT-selected clusters, and compare them with those of the nearby clusters (z < 0.1) to constrain their evolution as a function of time and radius. We find that thermodynamic properties in the outskirts of high redshift clusters are remarkably similar to the low redshift clusters, and their evolution follows the prediction of the self-similar model. Their intrinsic scatter is larger, indicating that the physical properties that lead to the formation and virialization of cluster outskirts show evolving variance. On the other hand, thermodynamic properties in the cluster cores deviates significantly from self-similarity indicating that the processes that regulate the core are already in place in these very high redshift clusters. This result is supported by the unevolving physical scatter of all thermodynamic quantities in cluster cores.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Ultradiffuse Galaxies (UDGs) with Hyper Suprime-Cam. I. Revised Catalog of Coma Cluster UDGs*

This is the first in a series of papers on the properties of ultradiffuse galaxies (UDGs) in clusters of galaxies. We present an updated catalog of UDGs in the Coma Cluster using g- and r-band images obtained with Hyper Suprime-Cam (HSC) of the Subaru telescope. We develop a method to find UDGs even in the presence of contaminating objects, such as halos and background galaxies. This study expands upon our previous works that covered about half the area of the Coma Cluster. The HSC observations covered the whole Coma Cluster up to the virial radius and beyond (an area twice as large as the previous studies) and doubled the numbers of UDGs (r eff , r ≥ 1.5 kpc) and sub-UDGs (1.0 ≤ r eff , r < 1.5 kpc) to 774 and 729, respectively. The new UDGs show internal properties consistent with those of previous studies (e.g., a Sérsic index of approximately 1), and are distributed across the cluster, with a concentration around the cluster center. The whole cluster coverage clearly revealed an excess of their distribution toward the east to southwest direction along the cluster center, where Coma connects to other large-scale structure, and where a known substructure exists (the NGC 4839 subgroup). The alignment of the UDG distribution along the large-scale structure around Coma supports the interpretation that most of them lie at the distance of the Coma Cluster and the NGC 4839 subgroup.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2024

XLSSC 122 Caught in the Act of Growing Up: Spatially Resolved SZ Observations of a z=1.98 Galaxy Cluster

Context. How protoclusters evolved from sparse galaxy overdensities to mature galaxy clusters is still not well understood. In this context, detecting and characterizing the hot intracluster medium (ICM) at high redshifts (z ∼ 2) is key to understanding how the continuous accretion from the filamentary large-scale structure and the mergers along it impact the first phases of cluster formation. Aims. We study the dynamical state and morphology of the z = 1:98 galaxy cluster XLSSC 122 with high-resolution observations (≈5″) of the ICM through the Sunyaev–Zeldovich (SZ) effect. XLSSC 122 is the highest redshift optically confirmed galaxy cluster found in an unbiased, widefield survey. Methods. Via Bayesian forward modeling, we mapped the ICM on scales from the virial radius down to the core of the cluster. To constrain such a broad range of spatial scales, we employed a new technique that jointly forward-models parametric descriptions of the pressure distribution to interferometric ACA and ALMA observations and multiband imaging data from ACT. Results. We detect the SZ effect with 11σ significance in the ALMA+ACA observations and find a flattened inner pressure profile that is consistent with a noncool core classification with a significance of ≥3σ. In contrast to the previous works, we find better agreement between the SZ effect signal and the X-ray emission as well as the cluster member distribution. Further, XLSSC 122 exhibits an excess of SZ flux in the south of the cluster where no X-ray emission is detected. By reconstructing the interferometric observations and modeling in the uv-plane, we obtain a tentative detection of an infalling group or filamentary-like structure in the southeast that is believed to boost and heat up the ICM while the density of the gas is still low. In addition to characterizing the dynamical state of the cluster, we provide an improved SZ mass estimate M500,c = 1.66−0.20+0.23 × 1014 M⊙ . Conclusions. Altogether, the observations indicate that we see XLSSC 122 in a dynamic phase of cluster formation while a large reservoir of gas is already thermalized.

large-scale structure of Universe↗
DOE OSTI2024

Jacobian-scaled K-means clustering for physics-informed segmentation of reacting flows

This work introduces Jacobian-scaled K-means (JSK-means) clustering, which is a physicsinformed clustering strategy centered on the K-means framework. The method allows for the injection of underlying physical knowledge into the clustering procedure through a distance function modification: instead of leveraging conventional Euclidean distance vectors, the JSKmeans procedure operates on distance vectors scaled by matrices obtained from dynamical system Jacobians evaluated at the cluster centroids. The goal of this work is to show how the JSKmeans algorithm - without modifying the input dataset - produces clusters that capture regions of dynamical similarity, in that the clusters are redistributed towards high-sensitivity regions in phase space and are described by similarity in the source terms of samples instead of the samples themselves. The algorithm is demonstrated on a complex reacting flow simulation dataset (a channel detonation configuration), where the dynamics in the thermochemical composition space are known through the highly nonlinear and stiff Arrhenius-based chemical source terms. Interpretations of cluster partitions in both physical space and composition space reveal how JSK-means shifts clusters produced by standard K-means towards regions of high chemical sensitivity (e.g., towards regions of peak heat release rate near the detonation reaction zone). Furthermore, the findings presented here illustrate the benefits of utilizing Jacobian-scaled distances in clustering techniques, and the JSK-means method in particular displays promising potential for improving former partition-based modeling strategies in reacting flow (and other multi-physics) applications.

Clustering↗
DOE OSTI2020

Structural Rearrangements of Subnanometer Cu Oxide Clusters Govern Catalytic Oxidation

Sub-nanometer metal oxide clusters are very important materials that are widely used, for example, in catalysis or electronic devices such as sensors. Hence, it is critical to understand the atomic structures and properties of sub-nanometer metal oxide clusters under a reactive gas environment, such as O 2 . We consider here experimentally accessible precise-size Cu clusters (Cu 4 ) supported on partially hydroxylated amorphous alumina and show that such clusters can access, in catalytic conditions at high temperature under a pressure of O 2 , a large ensemble of oxidized structures, representing a large variety of oxygen content, of geometries in link with the support, and of catalytic activities for oxidation reactions, as seen from their reducibilities. A grand canonical basin hopping method based on first-principles energy reveals an ensemble of 24 configurations for the Cu 4 O x cluster of low free energy, less than 0.8 eV above the global minimum. The low free energy ensemble consists of clusters of different stoichiometries, which are mainly Cu 4 O 3 and Cu 4 O 4 in the temperature range of 200–400 °C and under a pressure of 0.5 bar of O 2 . The presence of several competitive isomers at each composition implies that cluster fluxionality impacts the phase diagram, which should be ensemble-averaged. In terms of catalytic oxidation activity, Cu 4 O 3 isomers present highly variable O abstraction energy: the most stable isomers are inactive for alkane oxidative dehydrogenation, but isomerization to metastable isomers, that proceed with low barrier, enable to create active configurations with low O abstraction energy. O atoms with the lowest anionic character, and thus of more electrophilic nature, present the best oxidation capability. In contrast, all Cu 4 O 4 isomers show a low O abstraction energy and a high potential catalytic activity. Here, this manuscript demonstrates the unique structural and electronic properties of sub-nano Cu oxide clusters and illustrates the critical roles of configuration ensembles and rearrangement to highly reactive metastable cluster isomers in nanocatalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Abell 1430: A merging cluster with exceptional diffuse radio emission

Diffuse radio emission has been found in many galaxy clusters, predominantly in massive systems which are in the state of merging. The radio emission can usually be classified as relic or halo emission, which are believed to be related to merger shocks or volume-filling turbulence, respectively. Recent observations have revealed radio bridges for some pairs of very close galaxy clusters. The mechanisms that may allow one to explain the high specific density of relativistic electrons, which are necessary to explain the radio luminosity of these bridge regions, have been poorly explored until now. When inspecting the first data release of the LOFAR Two-Metre Sky Survey (LoTSS), we discovered diffuse radio emission in the galaxy cluster Abell 1430. Here, for this work, we aim to determine the dynamical state of the cluster and characterise the diffuse radio emission. We analysed the LoTSS data in detail and complemented them with recent Karl G. Jansky Very Large Array observations in the L-band. To study the dynamical state of the cluster, we analysed XMM-Newton data, Chandra data, and Sloan Digital Sky Survey data. Moreover, we compared our results to clusters extracted from THE THREE HUNDRED PROJECT cosmological simulation. We find that Abell 1430 consists of two components, namely A1430-A and A1430-B, with a mass ratio of about 2:1. The massive component shows diffuse radio emission which can be classified as radio halo which shows a low radio power at 1.4 GHz with respect to the mass of the cluster. Most interestingly, there is extended diffuse radio emission in the following dubbed as the ‘Pillow’ according to its morphology, which is apparently related to A1430-B and which is neither typical halo nor typical relic emission. The origin of this emission is puzzling. We speculate that the two components of Abell 1430 undergo an off-axis merger. In this scenario, A1430-B is moving towards the main cluster component and may have compressed and stirred the medium in the filament between the two cluster components. We have discovered evidence for diffuse radio emission related to the low-density intracluster or intergalactic medium in Abell 1430. To date, only a few examples of emission originating from such regions are known. These discoveries are crucial to constrain possible acceleration mechanisms which may allow us to explain the presence of relativistic electrons in these regions. In particular, our results indicate a spectral index of α 144 MHz 1.5 GHz = -1.4±0.5 for the Pillow. If upcoming observations confirm a slope as flat as -1.4 or even flatter, this would pose a challenge for the electron acceleration scenarios.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Clusters of galaxies up to z = 1.5 identified from photometric data of the Dark Energy Survey and unWISE

ABSTRACT Using photometric data from the Dark Energy Survey and the Wide-field Infrared Survey Explorer, we estimate photometric redshifts for 105 million galaxies using the nearest-neighbour algorithm. From such a large data base, 151 244 clusters of galaxies are identified in the redshift range of 0.1 < z ≲ 1.5 based on the overdensity of the total stellar mass of galaxies within a given photometric redshift slice, among which 76 826 clusters are newly identified and 30 477 clusters have a redshift z > 1. We cross-match these clusters with those in the catalogues identified from the X-ray surveys and the Sunyaev–Zel’dovich (SZ) effect by the Planck, South Pole Telescope and Atacama Cosmology Telescope surveys, and get the redshifts for 45 X-ray clusters and 56 SZ clusters. More than 95 per cent SZ clusters in the sky region have counterparts in our catalogue. We find multiple optical clusters in the line of sight towards about 15 per cent of SZ clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Brightest cluster galaxies trace weak lensing mass bias and halo triaxiality in the three hundred project

Galaxy clusters have a triaxial matter distribution. The weak-lensing signal, an important part in cosmological studies, measures the projected mass of all matter along the line of sight, and therefore changes with the orientation of the cluster. Studies suggest that the shape of the brightest cluster galaxy (BCG) in the centre of the cluster traces the underlying halo shape, enabling a method to account for projection effects. We use 324 simulated clusters at four redshifts between 0.1 and 0.6 from ‘The Three Hundred Project’ to quantify correlations between the orientation and shape of the BCG and the halo. We find that haloes and their embedded BCGs are aligned, with an average ~20 degree angle between their major axes. The bias in weak lensing cluster mass estimates correlates with the orientation of both the halo and the BCG. Mimicking observations, we compute the projected shape of the BCG, as a measure of the BCG orientation, and find that it is most strongly correlated to the weak-lensing mass for relaxed clusters. We also test a 2D cluster relaxation proxy measured from BCG mass isocontours. The concentration of stellar mass in the projected BCG core compared to the total stellar mass provides an alternative proxy for the BCG orientation. We find that the concentration does not correlate to the weak-lensing mass bias, but does correlate with the true halo mass. Here, these results indicate that the BCG shape and orientation for large samples of relaxed clusters can provide information to improve weak-lensing mass estimates.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Observational constraints of an anisotropic boost due to the projection effects using redMaPPer clusters

Optical clusters identified from red-sequence galaxies suffer from projection effects, where interloper galaxies along the line of sight to a cluster are mistaken as genuine members of the cluster. In the previous study, we found that the projection effects cause the boost on the amplitudes of clustering and lensing on large scale compared to the expected amplitudes in the absence of any projection effects. These boosts are caused by preferential selections of filamentary structure aligned to the line of sight due to distance uncertainties in photometric surveys. We model the projection effects with two simple assumptions and develop a novel method to quantify the size of the boost using cluster-galaxy cross-correlation functions. We validate our method using mock cluster catalogues built from cosmological N-body simulations and find that we can obtain unbiased constraints on the boost parameter with our model. We then apply our analysis on the SDSS redMaPPer clusters and find that the size of the boost is roughly 20 per cent for all the richness bins except the cluster sample with the richness bin λ ∈ [30, 40]. This is the first study to constrain the boost parameter independent from cluster cosmology studies and provides a self-consistency test for the projection effects.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Improving galaxy cluster selection with the outskirt stellar mass of galaxies

The number density and redshift evolution of optically selected galaxy clusters offer an independent measurement of the amplitude of matter fluctuations, 𝑆 8 . However, recent results have shown that clusters chosen by the redMaPPer algorithm show richness-dependent biases that affect the weak lensing signals and number densities of clusters, increasing uncertainty in the cluster mass calibration and reducing their constraining power. Here, in this work, we evaluate an alternative cluster proxy, outskirt stellar mass, 𝑀 out , defined as the total stellar mass within a [50, 100] kpc envelope centered on a massive galaxy. This proxy exhibits scatter comparable to redMaPPer richness, 𝜆, but is less likely to be subject to projection effects. We compare the Dark Energy Survey Year 3 redMaPPer cluster catalog with a 𝑀 out selected cluster sample from the Hyper-Suprime Camera survey. We use weak lensing measurements to quantify and compare the scatter of 𝑀 out and 𝜆 with halo mass. Our results show 𝑀 out has a scatter consistent with 𝜆, with a similar halo mass dependence, and that both proxies contain unique information about the underlying halo mass. We find 𝜆-selected samples introduce features into the measured Δ⁢Σ signal that are not well fit by a log-normal scatter only model, absent in 𝑀 out selected samples. Our findings suggest that 𝑀 out offers an alternative for cluster selection with more easily calibrated selection biases, at least at the generally lower richnesses probed here. Combining both proxies may yield a mass proxy with a lower scatter and more tractable selection biases, enabling the use of lower mass clusters in cosmology. Finally, we find the scatter and slope in the 𝜆 −𝑀 out scaling relation to be 0.49 ±0.02 and 0.38 ±0.09.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

SPT clusters with DES and HST weak lensing. II. Cosmological constraints from the abundance of massive halos

We present cosmological constraints from the abundance of galaxy clusters selected via the thermal Sunyaev-Zel’dovich (SZ) effect in South Pole Telescope (SPT) data with a simultaneous mass calibration using weak gravitational lensing data from the Dark Energy Survey (DES) and the Hubble Space Telescope (HST). The cluster sample is constructed from the combined SPT-SZ, SPTpol ECS, and SPTpol 500d surveys, and comprises 1,005 confirmed clusters in the redshift range 0.25–1.78 over a total sky area of 5200 deg 2 . We use DES Year 3 weak-lensing data for 688 clusters with redshifts 𝑧 < 0.95 and HST weak-lensing data for 39 clusters with 0.6 < 𝑧 < 1.7. The weak-lensing measurements enable robust mass measurements of sample clusters and allow us to empirically constrain the SZ observable-mass relation without having to make strong assumptions about, e.g., the hydrodynamical state of the clusters. For a flat Λ⁢ CDM cosmology, and marginalizing over the sum of massive neutrinos, we measure Ω m = 0.286 ± 0.032, 𝜎 8 = 0.817 ± 0.026, and the parameter combination 𝜎 8 ⁢(Ω m /0.3) 0.25 = 0.805 ± 0.016. Our measurement of 𝑆 8 ≡ 𝜎 8 ⁢$\sqrt{Ω_{m}/0.3}$ = 0.795 ± 0.029 and the constraint from Planck CMB anisotropies (2018 TT, TE, EE+lowE) differ by 1.1⁢𝜎. In combination with that Planck dataset, we place a 95% upper limit on the sum of neutrino masses ∑𝑚 𝜈 < 0.18 eV. When additionally allowing the dark energy equation of state parameter 𝑤 to vary, we obtain 𝑤 = −1.45 ± 0.31 from our cluster-based analysis. In combination with Planck data, we measure 𝑤 =−1.3⁢4$^{+0.22}_{−0.15}$, or a 2.2⁢𝜎 difference with a cosmological constant. We use the cluster abundance to measure 𝜎8 in five redshift bins between 0.25 and 1.8, and we find the results to be consistent with structure growth as predicted by the Λ⁢ CDM model fit to Planck primary CMB data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Galaxy Cluster Contribution to the Diffuse Extragalactic Ultraviolet Background

The diffuse ultraviolet background radiation has been mapped over most of the sky with 2′ resolution using data from the Galaxy Evolution Explorer survey. We utilize this map to study the correlation between the UV background and clusters of galaxies discovered via the Sunyaev–Zeldovich effect in the Planck survey. We use only high Galactic latitude (|b|>60{sup ∘}) galaxy clusters to avoid contamination by Galactic foregrounds, and we only analyze clusters with a measured redshift. This leaves us with a sample of 142 clusters over the redshift range of 0.02 ≤ z ≤ 0.72, which we further subdivide into four redshift bins. In analyzing our stacked samples binned by redshift, we find evidence for a central excess of UV background light compared to local backgrounds for clusters with z < 0.3. We then stacked these z < 0.3 clusters to find a statistically significant excess of 12 ± 2.3 photon cm{sup −2} s{sup −1} sr{sup −1} Å{sup −1} over the median of ∼380 photon cm{sup −2} s{sup −1} sr{sup −1} Å{sup −1} measured around random blank fields. We measure the stacked radial profile of these clusters, and find that the excess UV radiation decays to the level of the background at a radius of ∼1 Mpc, roughly consistent with the maximum radial extent of the clusters. Analysis of possible physical processes contributing to the excess UV brightness indicates that non-thermal emission from relativistic electrons in the intracluster medium and faint, unresolved UV emission from cluster member galaxies and intracluster light are likely the dominant contributors.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Redshift Evolution of the Feedback–Cooling Equilibrium in the Core of 48 SPT Galaxy Clusters: A Joint Chandra–SPT–ATCA Analysis

We analyze the cooling and feedback properties of 48 galaxy clusters at redshifts 0.4 < z < 1.3 selected from the South Pole Telescope (SPT) catalogs to evolve like the progenitors of massive and well-studied systems at z ~ 0. We estimate the radio power at the brightest cluster galaxy (BCG) location of each cluster from an analysis of Australia Telescope Compact Array data. Assuming that the scaling relation between the radio power and active galactic nucleus (AGN) cavity power P cav observed at low redshift does not evolve with redshift, we use these measurements in order to estimate the expected AGN cavity power in the core of each system. We estimate the X-ray luminosity within the cooling radius L cool of each cluster from a joint analysis of the available Chandra X-ray and SPT Sunyaev–Zel'dovich (SZ) data. This allows us to characterize the redshift evolution of the P cav /L cool ratio. When combined with low-redshift results, these constraints enable investigations of the properties of the feedback–cooling cycle across 9 Gyr of cluster growth. We model the redshift evolution of this ratio measured for cool-core clusters by a log-normal distribution Log-N (α + βz, σ 2 ) and constrain the slope of the mean evolution to β = -0.05 ± 0.47. This analysis improves the constraints on the slope of this relation by a factor of two. We find no evidence of redshift evolution of the feedback–cooling equilibrium in these clusters, which suggests that the onset of radio-mode feedback took place at an early stage of cluster formation. High values of P cav /L cool are found at the BCG location of noncool-core clusters, which might suggest that the timescales of the AGN feedback cycle and the cool core–noncool core transition are different. This work demonstrates that the joint analysis of radio, SZ, and X-ray data solidifies the investigation of AGN feedback at high redshifts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Constraints on Nonthermal Pressure at Galaxy Cluster Outskirts from a Joint SPT and XMM-Newton Analysis

We present joint South Pole Telescope and XMM-Newton observations of eight massive galaxy clusters (0.8–2 × 10$^{15}$ M$_{⊙}$) spanning a redshift range of 0.16–0.35. Employing a novel Sunyaev–Zel’dovich + X-ray fitting technique, we effectively constrain the thermodynamic properties of these clusters out to the virial radius. The resulting best-fit electron density, deprojected temperature, and deprojected pressure profiles are in good agreement with previous observations of massive clusters. For the majority of the cluster sample (five out of eight clusters), the entropy profiles exhibit a self-similar behavior near the virial radius. We further derive hydrostatic mass, gas mass, and gas fraction profiles for all clusters up to the virial radius. Comparing the enclosed gas fraction profiles with the universal gas fraction profile, we obtain nonthermal pressure fraction profiles for our cluster sample at >0.5R$_{500}$, demonstrating a steeper increase between R$_{500}$ and R$_{200}$ that is consistent with the hydrodynamical simulations. Our analysis yields nonthermal pressure fraction ranges of 8%–28% (median: 15% ± 11%) at R$_{500}$ and 21%–35% (median: 27% ± 12%) at R$_{200}$. Notably, weak-lensing mass measurements are available for only four clusters in our sample, and our recovered total cluster masses, after accounting for nonthermal pressure, are consistent with these measurements.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Enhanced Catalytic Performance of a Ce/V Oxo Cluster through Confinement in Mesoporous SBA-15

To increase catalytic efficiency, mesoporous supports have been widely applied to immobilize well-defined metal oxide clusters due to their ability to stabilize highly dispersed clusters. Here, for this study, a redox-active heterometallic Ce 12 V 6 -oxo cluster (CeV) was first presynthesized and then incorporated into mesoporous silica, SBA-15, via a straightforward impregnation method. Scanning transmission electron microscopy (STEM) and Fourier transform infrared spectroscopy (FTIR), in concert with scanning electron microscopy and energy-dispersive X-ray spectroscopy (SEM-EDS), verified the successful introduction of the CeV cluster inside the pore of SBA-15. The 51 V magic angle spinning solid-state nuclear magnetic resonance ( 51 V MAS NMR) spectroscopy and differential pair distribution function (dPDF) analysis confirmed the structural integrity of the CeV cluster inside the SBA-15. The composite was then benchmarked for liquid-phase oxidation of 2-chloroethyl ethyl sulfide (CEES) under mild conditions and gas-phase oxidative dehydrogenation (ODH) of propane under high temperatures (up to 550 °C). The catalytic reactivity results demonstrated 8- and 14-fold increase in turnover frequency (TOF) values of the composite (CeV@10SBA-2) than the bulk CeV cluster under the same conditions for CEES oxidation and ODH, respectively. These results highlight the improved reactivity of the catalytically active CeV cluster as attributed to the higher dispersion of the discrete cluster upon immobilization within the SBA-15 support.

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

Spectroscopic Characterization of redMaPPer Galaxy Clusters with DESI

Optical galaxy cluster identification algorithms such as redMaPPer promise to enable an array of astrophysical and cosmological studies, but suffer from biases whereby galaxies in front of and behind a galaxy cluster are mistakenly associated with the primary cluster halo. These projection effects caused by irreducible photometric redshift uncertainty must be quantified to facilitate the use of optical cluster catalogues. We present measurements of galaxy cluster projection effects and velocity dispersion using spectroscopy from the Dark Energy Spectroscopic Instrument. Our findings are as follows: we confirm that the fraction of redMaPPer putative member galaxies mistakenly associated with cluster haloes is richness dependent, being more than twice as large at low richness than high richness; we present the first spectroscopic evidence of an increase in projection effects with increasing redshift, by as much as 25 per cent from $z\sim 0.1$ to $z\sim 0.2$; moreover, we find qualitative evidence for luminosity dependence in projection effects, with fainter galaxies being more commonly far behind clusters than their bright counterparts; finally, we fit the scaling relation between measured mean spectroscopic richness and velocity dispersion, finding an implied linear scaling between spectroscopic richness and halo mass. We discuss further directions for the application of spectroscopic data sets to improve use of optically selected clusters to test cosmological models.

clusters↗
DOE OSTI2022

Characterization of a Nitrogenase Iron Protein Substituted with a Synthetic [Fe 4 Se 4 ] Cluster

The Fe protein of nitrogenase plays multiple roles in substrate reduction and cluster maturation via its redox-active [Fe4S4] cluster. Here we report the synthesis and characterization of a water-soluble [Fe 4 Se 4 ] cluster that is used to substitute the [Fe4S4] cluster of the Azotobacter vinelandii Fe protein (AvNifH). Biochemical, EPR and XAS/EXAFS analyses demonstrate the ability of the [Fe 4 Se 4 ] cluster to adopt the super-reduced, all-ferrous state upon its incorporation into AvNifH. Moreover, these studies reveal that the [Fe 4 Se 4 ] cluster in AvNifH already assumes a partial all-ferrous state ([Fe 4 Se 4 ] 0 ) in the presence of dithionite, where its [Fe 4 S 4 ] counterpart in AvNifH exists solely in the reduced state ([Fe 4 S 4 ] 1+ ). Such a discrepancy in the redox properties of the AvNifH-associated [Fe 4 Se 4 ] and [Fe 4 S 4 ] clusters can be used to distinguish the differential redox requirements for the substrate reduction and cluster maturation of nitrogenase, pointing to the utility of chalcogen-substituted FeS clusters in future mechanistic studies of nitrogenase catalysis and assembly.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗