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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Technical note: Recommendations for diagnosing cloud feedbacks and rapid cloud adjustments using cloud radiative kernels

Abstract. The cloud radiative kernel method is a popular approach to quantify cloud feedbacks and rapid cloud adjustments to increased CO2 concentrations and to partition contributions from changes in cloud amount, altitude, and optical depth. However, because this method relies on cloud property histograms derived from passive satellite sensors or produced by passive satellite simulators in models, changes in obscuration of lower-level clouds by upper-level clouds can cause apparent low-cloud feedbacks and adjustments, even in the absence of changes in lower-level cloud properties. Here, we provide a methodology for properly diagnosing the impact of changing obscuration on cloud feedbacks and adjustments and quantify these effects across climate models. Averaged globally and across global climate models, properly accounting for obscuration leads to weaker positive feedbacks from lower-level clouds and stronger positive feedbacks from upper-level clouds while simultaneously removing a mostly artificial anti-correlation between them. Given that the methodology for diagnosing cloud feedbacks and adjustments using cloud radiative kernels has evolved over several papers, and obscuration effects have only occasionally been considered in recent papers, this paper serves to establish recommended best practices and to provide a corresponding code base for community use.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

eROSITA Final Equatorial-Depth Survey (eFEDS) eFEDS X-ray view of WERGS radio galaxies selected by the Subaru/HSC and VLA/FIRST survey

We constructed the eROSITA X-ray catalog of radio galaxies discovered by the WERGS survey, made by cross-matching the wide area Subaru/Hyper Suprime-Cam (HSC) optical survey and VLA/FIRST 1.4 GHz radio survey. We report finding 393 eROSITA detected radio galaxies in the 0.5-2 keV band in the eFEDS field covering 140 deg 2 . Thanks to the wide and medium depth eFEDS X-ray survey down to f 0.5 - 2 keV = 6.5 × 10 -15 erg s -1 cm -2 , the sample contains the rare and most X-ray luminous radio galaxies above the knee of the X-ray luminosity function, spanning 44 < log(L 0.5-2 keV (abs,corr) /erg s -1 ) < 46.5 at 1 < z < 4. The sample also contains the sources around and below the knee for the sources 41 < log(L 0.5-2 keV (abs,corr) /erg s -1 ) < 45 at z < 1. Based on the X-ray properties obtained by the spectral fitting, 37 sources show obscured active galactic nucleus (AGN) signatures with log(N H /cm -2 ) > 22. These obscured and radio AGN reside in 0.4 < z < 3.2, indicating that they are obscured counterparts of the radio-loud quasar, which were missed in the previous optical quasar surveys. By combining radio and X-ray luminosities, we also investigated the jet production efficiency η jet = η rad P jet /L AGN,bol by utilizing the jet power of P jet . We find that there are 14 sources with extremely high jet production efficiency at η jet ≈ 1. This high η jet value might be a result of the decreased radiation efficiency of η rad < 0.1, due to the low accretion rate for those sources, and/or of the boosting due to the decline of L AGN,bol by a factor of 10-100 by keeping P jet constant in the previous Myr, indicating the experience of the AGN feedback. Finally, inferring the BH masses from the stellar mass, we find that X-ray luminous sources show the excess of the radio emission with respect to the value estimated from the fundamental plane. This radio emission excess cannot be explained by the Doppler boosting alone, and therefore the disk–jet connection of X-ray luminous eFEDS-WERGS is fundamentally different from the conventional fundamental plane which mainly covers the low-accretion regime.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Star formation and molecular gas properties of post-starburst galaxies

Post-starburst galaxies are believed to be in a rapid transition between major merger starbursts and quiescent ellipticals. Their optical spectrum is dominated by A-type stars, suggesting a starburst that was quenched recently. While optical observations suggest little ongoing star formation, some have been shown to host significant molecular gas reservoirs. This led to the suggestion that gas depletion is not required to end the starburst, and that star formation is suppressed by other processes. We present NOEMA CO(1−0) observations of 15 post-starburst galaxies with emission lines consistent with active galactic nucleus (AGN) photoionization. We collect post-starburst candidates with molecular gas measurements from the literature, with some classified as classical E + A, while others with line ratios consistent with AGN and/or shock ionization. Using far-infrared observations, we show that systems that were reported to host exceptionally large molecular gas reservoirs host in fact obscured star formation, with some systems showing star formation rates comparable to ULIRGs. Among E + A galaxies with molecular gas measurements, 7 out of 26 (26 per cent) host obscured starbursts. Using far-infrared observations, post-starburst candidates show similar SFR– M H 2 and Kennicutt–Schmidt relations to those observed in star-forming and starburst galaxies. In particular, there is no need to hypothesize star formation quenching by processes other than the consumption of molecular gas by star formation. The combination of optical, far-infrared, and CO observations indicates that some regions within these galaxies have been recently quenched, while others are still forming stars in highly obscured regions. All this calls into question the traditional interpretation of such galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Modeling Pb(II) Adsorption on Mineral Surfaces: Bridging Density Functional Theory and Experiment with Thermodynamic Insights

Despite decades of work on aqueous lead (Pb) adsorption on a-Fe2O3 (hematite) and a-Al2O3 (alumina), gaps between measurements and modeling obscure molecular-level understanding. Achieving well-matched geometries between theory and experimental for mineral-water interfaces is a hurdle, as surface functional group type and distribution must be accounted for in determining mechanisms. Additionally, computational methods that can describe the substrate are often not appropriate to capture aqueous effects. Progress requires focusing on well-studied and relevant systems, such as key facets (001),(012), and (110) of hematite and alumina, and ubiquitous contaminants such as aqueous Pb. In the past, bulk-parametrized bond-valence principles were used to rationalize Pb(II) adsorption trends. These approaches can break down at surfaces, where flexible bonding environments and adsorption-induced surface relaxations play a critical role. Here, we adapt and apply a density functional theory (DFT) and thermodynamics framework, integrating DFT-calculated energies with experimental data and electrochemical principles, to predict Pb(II) adsorption. Our model results capture trends across the full set of surfaces and predict that inner-sphere Pb(II) sorption on (001) alumina varies from unfavorable to weakly favorable across a range of pH conditions. This aligns with experiment insights that Pb(II) interacts at that surface through outer-sphere interactions. Extending to Fe(II) adsorption, we demonstrate a coverage-dependent site preference, potentially explaining disorder in overlayers grown by the oxidative adsorption of Fe(II) on hematite (001).

lead contamination↗
DOE OSTI2024

Terahertz parametric amplification as a reporter of exciton condensate dynamics

Condensates are a hallmark of emergence in quantum materials with superconductors and charge density wave as prominent examples. An excitonic insulator (EI) is an intriguing addition to this library, exhibiting spontaneous condensation of electron-hole pairs. However, condensate observables can be obscured through parasitic coupling to the lattice. Time-resolved terahertz (THz) spectroscopy can disentangle such obscurants through measurement of the quantum dynamics. We target Ta 2 NiSe 5 , a putative room-temperature EI where electron-lattice coupling dominates the structural transition (T c = 326 K), hindering identification of excitonic correlations. A pronounced increase in the THz reflectivity manifests following photoexcitation and exhibits a BEC-like temperature dependence. This occurs well below the T c , suggesting a novel approach to monitor exciton condensate dynamics. Nonetheless, dynamic condensate-phonon coupling remains as evidenced by peaks in the enhanced reflectivity spectrum at select infrared-active phonon frequencies. This indicates that parametric reflectivity enhancement arises from phonon squeezing, validated using Fresnel-Floquet theory and density functional calculations. In conclusion, our results highlight that coherent dynamics can drive parametric stimulated emission with concomitant possibilities, including entangled THz photon generation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The eROSITA Final Equatorial-Depth Survey (eFEDS)

Theoretical models of the co-evolution of galaxies and active galactic nuclei (AGNs) ascribe an important role in the feedback process to a short, luminous, obscured, and dust-enshrouded phase during which the accretion rate of the supermassive black hole is expected to be at its maximum and the associated AGN-driven winds are also predicted to be maximally developed. Here, to test this scenario, we have isolated a textbook candidate from the eROSITA Final Equatorial-Depth Survey (eFEDS) obtained within the performance and verification program of the eROSITA telescope on board the Spectrum Röntgen Gamma mission. From an initial catalogue of 246 hard X-ray selected sources that are matched with the photometric and spectroscopic information available within the eROSITA and Hyper Suprime-Cam consortia, three candidates quasars in the feedback phase have been isolated applying a diagnostic proposed previously. Only one source (eFEDS J091157.4+014327) has a spectrum already available (from SDSS-DR16, z = 0.603) and it unambiguously shows abroad component (full width at half maximum ~1650 kms –1 ) in the [OIII]5007 line. The associated observed L [OIII] is ~2.6 × 10 42 erg s –1 , one to two orders of magnitude higher than that observed in local Seyfert galaxies and comparable to those observed in a sample of z ~ 0.5 type 1 quasars. From the multi-wavelength data available, we derive an Eddington ratio (L bol /L Edd ) of ~0.25 and a bolometric correction in the hard X-ray band of k bol ~ 10, which is lower than the corrections observed for objects at similar bolometric luminosity. These properties, along with the outflow, the high X-ray luminosity, the moderate X-ray obscuration (L X ~10 44.8 erg s –1 , N H ~2.7 × 10 22 cm –2 ), and the red optical colour, all match the prediction of quasars in the feedback phase from merger-driven models. Forecasting to the full eROSITA all-sky survey with its spectroscopic follow-up, we predict that by the end of 2024, we will have a sample of few hundred such objects at z= 0.5–2.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Candidate cosmic filament in the GJ526 field, mapped with the NIKA2 camera

Distinctive large-scale structures have been identified in the spatial distribution of optical galaxies up to redshift z ~ 1. In the more distant universe, the relationship between the dust-obscured population of star-forming galaxies observed at millimetre wavelengths and the network of cosmic filaments of dark matter apparent in all cosmological hydrodynamical simulations is still under study. Using the NIKA2 dual-band millimetre camera, we mapped a field of ~90 arcmin 2 in the direction of the star GJ526 simultaneously in its 1.15-mm and 2.0-mm continuum wavebands to investigate the nature of the quasi-alignment of five sources found ten years earlier with the MAMBO camera at 1.2 mm. We find that these sources are not clumps of a circumstellar debris disc around this star as initially hypothesized. Rather, they must be dust-obscured star-forming galaxies, or sub-millimetre galaxies (SMGs), in the distant background. The new NIKA2 map at 1.15 mm reveals a total of seven SMGs distributed in projection on the sky along a filament-like structure crossing the whole observed field. Furthermore, we show that the NIKA2 and supplemental Herschel photometric data are compatible with a model of the spectral energy distributions (SEDs) of these sources when a common redshift of 2.5 and typical values of the dust parameters for SMGs are adopted. Hence, we speculate that these SMGs might be located in a filament of the distant ‘cosmic web’. The length of this candidate cosmic filament crossing the whole map is at least 4 cMpc (comoving), and the separations between sources are between 0.25 cMpc and 1.25 cMpc at this redshift, in line with expectations from cosmological simulations. Nonetheless, further observations to determine the precise spectroscopic redshifts of these sources are required to definitively support this hypothesis of SMGs embedded in a cosmic filament of dark matter.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

A search for H2O masers in 100 active dwarf galaxies

ABSTRACT We present the results of the first dedicated survey for 22 GHz H2O maser emission in dwarf galaxies outside of the Local Group, with the aim of discovering disc masers. Studies of disc masers yield accurate and precise measurements of black hole (BH) mass, and such measurements in dwarf galaxies would be key to understanding the low-mass end of BH–galaxy coevolution. We used the Green Bank Telescope to survey 100 nearby (z ≲ 0.055) dwarf galaxies (M* ≲ 109.5 M⊙) with optical emission line ratios indicative of accretion on to a massive black hole. We detected no new masers down to a limit of ∼12 mJy (5σ). We compared the properties of our sample with those of ∼1850 known detections and non-detections in massive galaxies. We find, in agreement with previous studies, that masers are preferentially hosted by Seyferts and highly obscured, [O iii]-bright active galactic nuclei (AGNs). Our sample has fewer Seyferts, is less obscured, and is [O iii]-faint. Though the overall maser detection rate is ∼3 per cent in massive galaxies, the predicted rate for our sample, weighted by its optical properties, is ∼0.6–1.7 per cent, corresponding to a probability of making no detections of ∼20–50 per cent. We also found a slight increase in the detection rate with increased stellar mass in previously surveyed galaxies. However, further observations are required to discern whether there is an intrinsic difference between the maser fraction in active dwarf galaxies and in their massive counterparts for the same AGN properties.

Rosenthal, M. J.↗
DOE OSTI2022

The X-ray view of optically selected dual AGN

We present a study of optically selected dual Active Galactic Nuclei (AGN) with projected separations of 3–97 kpc. Using multiwavelength (MWL) information (optical, X-ray, mid-IR), we characterized the intrinsic nuclear properties of this sample and compared them with those of isolated systems. Among the 124 X-ray-detected AGN candidates, 52 appear in pairs and 72 as single X-ray sources. Through MWL analysis, we confirmed the presence of the AGN in >80 per cent of the detected targets in pairs (42 out of 52). X-ray spectral analysis confirms the trend of increasing AGN luminosity with decreasing separation, suggesting that mergers may have contributed to triggering more luminous AGN. Through X-ray/mid-IR ratio versus X-ray colours, we estimated a fraction of Compton-thin AGN (with 10 22 cm −2 < N H < 10 24 cm −2 ) of about 80 per cent, while about 16 per cent are Compton-thick sources (with N H > 10 24 cm −2 ). These fractions of obscured sources are larger than those found in samples of isolated AGN, confirming that pairs of AGN show higher obscuration. This trend is further confirmed by comparing the de-reddened [O III ] emission with the observed X-ray luminosity. However, the derived fraction of Compton-thick sources in this sample at the early stages of merging is lower than that reported for late-merging dual-AGN samples. Comparing N H from X-rays with that derived from E(B − V ) from narrow-line regions, we found that the absorbing material is likely to be associated with the torus or broad-line regions. We also explored the X-ray detection efficiency of dual-AGN candidates, finding that, when observed properly (at on-axis positions and with long exposures), X-ray data represent a powerful way to confirm and investigate dual-AGN systems.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

DaYu: Optimizing Distributed Scientific Workflows by Decoding Dataflow Semantics and Dynamics

The combination of ever-growing scientific datasets and distributed workflow complexity creates I/O performance bottlenecks due to data volume, velocity, and variety. Although the increasing use of descriptive data formats (e.g., HDF5, netCDF) helps organize these datasets, it also creates obscure bottlenecks due to the need to translate high level operations into file addresses and then into low-level I/O operations. To address this challenge, we introduce DaYu, a method and toolset for analyzing (a) semantic relationships between logical datasets and file addresses, (b) how dataset operations translate into I/O, and (c) the combination across entire workflows. DaYu's analysis and visualization enables identification of critical bottlenecks and reasoning about remediation. We describe our methodology and propose optimization guidelines. Evaluation on scientific workflows demonstrates up to 3.7x performance improvements in I/O time for obscure bottlenecks. The time and storage overhead for DaYu's time-ordered data is typically under 0.2% of runtime and 0.25% of data volume, respectively.

Tang, Meng↗
DOE OSTI2021

Site and Bioenergy Cropping System Similarly Affect Distinct Live and Total Soil Microbial Communities

Bioenergy crops are a promising energy alternative to fossil fuels. During bioenergy feedstock production, crop inputs shape the composition of soil microbial communities, which in turn influences nutrient cycling and plant productivity. In addition to cropping inputs, site characteristics (e.g., soil texture, climate) influence bacterial and fungal communities. We explored the response of soil microorganisms to bioenergy cropping system (switchgrass vs. maize) and site (sandy loam vs. silty loam) within two long-term experimental research stations. The live and total microbial community membership was investigated using 16S and ITS amplicon sequencing of soil RNA and DNA. For both nucleic acid types, we expected fungi and prokaryotes to be differentially impacted by crop and site due their dissimilar life strategies. We also expected live communities to be more strongly affected by site and crop than the total communities due to a sensitivity to recent stimuli. Instead, we found that prokaryotic and fungal community composition was primarily driven by site with a secondary crop effect, highlighting the importance of soil texture and fertility in shaping both communities. Specific highly abundant prokaryotic and fungal taxa within live communities were indicative of site and cropping systems, providing insight into treatment-specific, agriculturally relevant microbial taxa that were obscured within total community profiles. Within live prokaryote communities, predatory Myxobacteria spp. were largely indicative of silty and switchgrass communities. Within live fungal communities, Glomeromycota spp. were solely indicative of switchgrass soils, while a few very abundant Mortierellomycota spp. were indicative of silty soils. Site and cropping system had distinct effects on the live and total communities reflecting selection forces of plant inputs and environmental conditions over time. Comparisons between RNA and DNA communities uncovered live members obscured within the total community as well as members of the relic DNA pool. The associations between live communities and relic DNA are a product of the intimate relationship between the ephemeral responses of the live community and the accumulation of DNA within necromass that contributes to soil organic matter, and in turn shapes soil microbial dynamics.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

A New Infrared Criterion for Selecting Active Galactic Nuclei to Lower Luminosities

We present a spectroscopic and photometric analysis of a sample of 416,288 galaxies from the Sloan Digital Sky Survey (SDSS) matched to mid-infrared (mid-IR) data from the Wide-field Infrared Survey Explorer (WISE). By using a new spectroscopic fitting package, GELATO (Galaxy/AGN Emission Line Analysis TOol), we are able to retrieve emission line fluxes and uncertainties for SDSS spectra and robustly determine the presence of broad lines and outflowing components, enabling us to investigate WISE color space as a function of optical spectroscopic properties. In addition, we pursue spectral energy distribution template fitting to assess the relative active galactic nucleus (AGN) contribution and nuclear obscuration to compare to existing mid-IR selection criteria with WISE. We present a selection criterion in mid-IR color space to select AGNs with an ~80% accuracy and a completeness of ~16%. This is the first mid-IR color selection defined by solely using the distribution of Type I and Type II optical spectroscopic AGNs in WISE mid-IR color space. Our selection is an improvement of ~50% in the completeness of targeting spectroscopic AGNs with WISE down to an SDSS r < 17.77 mag. In addition, our new criterion targets a less-luminous population of AGNs, with on average lower [O ιιι] luminosities by~30% ( > 0.1 dex) compared to typical WISE color–color selections. With upcoming large photometric surveys without corresponding spectroscopy, our method presents a way to select larger populations of AGNs at lower AGN luminosities and higher nuclear obscuration levels than traditional mid-IR color selections.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Forward Modeling Populations of Flares from Tidal Disruptions of Stars by Supermassive Black Holes

Detections of the tidal disruption flares (TDFs) of stars by supermassive black holes (SMBHs) are rapidly accumulating as optical surveys improve. These detections may provide constraints on SMBH demographics, stellar dynamics, and stellar evolution in galaxies. To maximize this scientific impact, we require a better understanding of how astrophysical parameters interact with survey selection effects in setting the properties of detected flares. In this study, we develop a framework for modeling the distributions of optical TDF detections in surveys across attributes of the host galaxies and the flares themselves. This model folds in effects of the stellar disruption rate in each galaxy, the flare luminosity and temperature distributions, the effects of obscuration and reddening by dust in the host galaxy, and survey selection criteria. We directly apply this model to the sample of TDFs detected by the Zwicky Transient Facility, and find that the overall flare detection rate is in line with simple theoretical expectation. The model can also reproduce the distribution of total stellar mass and redshift of the host galaxies, but fails to match all details of the detected flares, such as their luminosity and temperature distributions. We also find that dust obscuration likely plays an important role in suppressing the TDF detection rate in star-forming galaxies. While we do not find that the unusual preference of TDFs to have hosts in post-starburst galaxies in the "green valley" can be entirely explained by selection effects, our model can help to quantify the true rate enhancement in those galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

A VLA Survey of Late-time Radio Emission from Superluminous Supernovae and the Host Galaxies

We present the results of 3 GHz radio continuum observations of 23 superluminous supernovae (SLSNe) and their host galaxies by using the Karl G. Jansky Very Large Array conducted 5–21 yr after the explosions. The sample consists of 15 Type I and 8 Type II SLSNe at z < 0.3, providing one of the largest samples of SLSNe with late-time radio data. We detected radio emission from one SLSN (PTF10hgi) and five hosts with a significance of >5σ. No time variability is found in late-time radio light curves of the radio-detected sources in a timescale of years except for PTF10hgi, whose variability is reported in a separate study. Comparison of star formation rates (SFRs) derived from the 3 GHz flux densities with those derived from SED modeling based on UV–NIR data shows that four hosts have an excess of radio SFRs, suggesting obscured star formation. Upper limits for undetected hosts and stacked results show that the majority of the SLSN hosts do not have a significant obscured star formation. By using the 3 GHz upper limits, we constrain the parameters for afterglows arising from interaction between initially off-axis jets and circumstellar medium (CSM). Here, we found that the models with higher energies ( E iso ≳ several × 10 53 erg) and CSM densities ( n ≳ 0.01 cm –3 ) are excluded, but lower energies or CSM densities are not excluded with the current data. We also constrained the models of pulsar wind nebulae powered by a newly born magnetar for a subsample of SLSNe with model predictions in the literature.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

BASS. XXVI. DR2 Host Galaxy Stellar Velocity Dispersions

We present new central stellar velocity dispersions for 484 Sy 1.9 and Sy 2 from the second data release of the Swift/BAT AGN Spectroscopic Survey (BASS DR2). This constitutes the largest study of velocity dispersion measurements in X-ray-selected obscured active galactic nuclei (AGN) with 956 independent measurements of the Ca II H and K λ3969, 3934 and Mg I λ5175 region (3880–5550 Å) and the calcium triplet region (8350–8730 Å) from 642 spectra mainly from VLT/X-Shooter or Palomar/DoubleSpec. Our sample spans velocity dispersions of 40–360 km s 1 , corresponding to 4–5 orders of magnitude in black hole mass (M BH = 10 5.5-9.6 M ⊙ ), bolometric luminosity (L bol ~ 10 42–46 erg s -1 ), and Eddington ratio (L/L Edd ~ 10 -5 to 2). For 281 AGN, our data and analysis provide the first published central velocity dispersions, including six AGN with low-mass black holes (M BH = 10 5.5-6.5 M ⊙ ), discovered thanks to high spectral resolution observations (σ inst ~ 25 km s -1 ). The survey represents a significant advance with a nearly complete census of velocity dispersions of hard X-ray–selected obscured AGN with measurements for 99% of nearby AGN (z < 0.1) outside the Galactic plane (|b| > 10°). The BASS AGN have much higher velocity dispersions than the more numerous optically selected narrow-line AGN (i.e., ~150 versus ~100 km s -1 ) but are not biased toward the highest velocity dispersions of massive ellipticals (i.e., >250 km s -1 ). Despite sufficient spectral resolution to resolve the velocity dispersions associated with the bulges of small black holes (~10 4–5 M ⊙ ), we do not find a significant population of super-Eddington AGN. Using estimates of the black hole sphere of influence from velocity dispersion, direct stellar and gas black hole mass measurements could be obtained with existing facilities for more than ~100 BASS AGN.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Hole‐Carrier‐Dominant Transport in 2D Single‐Crystal Copper

Abstract In 2D noble metals like copper, the carrier scattering at grain boundaries has obscured the intrinsic nature of electronic transport. However, it is demonstrated that the intrinsic nature of transport by hole carriers in 2D copper can be revealed by growing thin films without grain boundaries. As even a slight deviation from the twin boundary is perceived as grain boundaries by electrons, it is only through the thorough elimination of grain boundaries that the hidden hole‐like attribute of 2D single‐crystal copper can be unmasked. Two types of Fermi surfaces, a large hexagonal Fermi surface centered at the zone center and the triangular Fermi surface around the zone corner, tightly matching to the calculated Fermi surface topology, confirmed by angle‐resolved photoemission spectroscopy (ARPES) measurements and vivid nonlinear Hall effects of the 2D single‐crystal copper account for the presence of hole carriers experimentally. This breakthrough suggests the potential to manipulate the majority carrier polarity in metals by means of grain boundary engineering in a 2D geometry.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Strong Proton‐Phonon Coupling Drives Fast Ion Transport in Perovskites

Conduction of protons in solids is a cooperative process propelled by phonons, with molecular details obscured by the irregular movements in the thermal bath. It is shown that substitution with Y forms an imaginary phonon mode, instrumental for the function as proton conductor and effectively lowering the activation barrier for proton transport. To untangle the interplay in the exemplary proton conductor BaSn 0.9 Y 0.1 O 3 , its crystallographic structure is determined with high resolution neutron diffractometry and its phonon density of states with density functional theory calculations, experimentally validated by element specific nuclear resonant vibration spectroscopy. Based on phonon analysis, a quantitative transport model is present, which predicts the activation energy and performance by the ratio of ionic radii. Rather than individual vibrational modes, it is the oxygen sub-lattice which exerts its momentum on the protons. The extent of this momentum transfer is governed by the ratio of ionic radii. This model extends the transition state theory by the phonon-phonon interaction and complements the previously proposed idea that lattice dynamics is decisive for proton transport and specifies which properties of the material exactly define the vibration properties.

activation barriers↗
DOE OSTI2020

Imaging Carrier Dynamics and Transport in Hybrid Perovskites with Transient Absorption Microscopy

In this review, the recent progress in using transient absorption microscopy to image charge transport and dynamics in semiconducting hybrid organic–inorganic perovskites is discussed. The basic principles, instrumentation, and resolution of transient absorption microscopy are outlined. With temporal resolution as high as 10 fs, sub-diffraction-limit spatial resolution, and excited-state structural resolution, these experiments have provided crucial details on charge transport mechanisms that have been previously obscured in conventional ultrafast spectroscopy measurements. Morphology-dependent mapping unveils spatial heterogeneity in carrier recombination and cooling dynamics. By spatially separating the pump and probe beams, carrier transport across grain boundaries has been directly visualized. Further, femtosecond temporal resolution allows for the examination of nonequilibrium transport directly, revealing extraordinarily long-range hot carrier migration. The application of transient absorption microscopy is not limited to hybrid perovskites but can also be useful for other polycrystalline materials in which morphology plays an important role in carrier transport.

36 MATERIALS SCIENCE↗