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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

In Situ Imaging Reveals Efficient Charge Separation in Monolayer MoS 2 –WS 2 Type-II Heterojunctions

Covalently bonded in-plane two-dimensional (2D) transition metal dichalcogenide (TMD) heterojunctions with atomically sharp interfaces hold great promise for photocatalytic applications in solar energy conversion and environmental remediation; however, their spatially resolved charge distribution and transport, particularly under operando conditions, remain poorly understood. Here, we employ photoscanning electrochemical microscopy (photo-SECM) to directly visualize photoinduced charge separation in monolayer MoS 2 –WS 2 in-plane heterojunctions. Spatial separation of photogenerated carriers is observed, with electrons accumulating in MoS 2 and holes in WS 2 , leading to strongly asymmetric interfacial kinetics: Fc + reduction proceeds rapidly on MoS 2 (0.6 cm s –1 ), whereas Fc oxidation on WS 2 is significantly slower (0.008 cm s –1 ). High-resolution surface photovoltage microscopy (SPVM) enables a quantitative comparison of charge-separation capacity across architectures. The in-plane MoS 2 –WS 2 heterojunction shows the largest photovoltage contrast (−35 mV in MoS 2 , 20 mV in WS 2 ), exceeding the vertical heterojunction (−18 mV in MoS 2 , 11 mV in WS 2 ) and the individual monolayers (−12 mV for MoS 2 , – 1 mV for WS 2 ), establishing the following trend: in-plane > vertical > monolayers. Ultraviolet photoelectron spectroscopy (UPS) indicates that this directional charge separation is driven by intrinsic type-II band alignment, while photoluminescence (PL) imaging shows that the interface acts as a recombination center that limits efficient carrier extraction. These results provide direct experimental evidence of type-II-driven charge separation in in-plane heterojunctions and offer critical insights for interface design in high-efficiency photocatalytic and optoelectronic systems.

electrical properties↗
DOE OSTI2025

Evaluating quenching in cosmological simulations of galaxy formation with spectral covariance in the optical window

ABSTRACT Cosmological hydrodynamical simulations provide valuable insights on galaxy evolution when coupled with observational data. Comparisons with real galaxies are typically performed via scaling relations of the observables. Here, we follow an alternative approach based on the spectral covariance in a model-independent way. We build upon previous work by Sharbaf et al. that studied the covariance of high-quality SDSS (Sloan Digital Sky Survey) continuum-subtracted spectra in a relatively narrow range of velocity dispersion ($\sigma \in [100,150]$ km s$^{-1}$). Here, the same analysis is applied to synthetic data from the eagle and IllustrisTNG100 simulations, to assess the ability of these runs to mimic real galaxies. The real and simulated spectra are consistent regarding spectral covariance, although with subtle differences that can inform the implementation of subgrid physics. Spectral fitting done a posteriori on stacks segregated with respect to latent space reveals that the first principal component (PC1) is predominantly influenced by the stellar age distribution, with an underlying age–metallicity degeneracy. Good agreement is found regarding star formation prescriptions but there is disagreement with active galactic nucleus (AGN) feedback, that also affects the subset of quiescent galaxies. We show a substantial difference in the implementation of the AGN subgrid prescriptions, regarding central black hole seeding, that could lead to the mismatch. Differences are manifest between these two simulations in the star formation histories stacked with respect to latent space. We emphasize that this methodology only relies on the spectral covariance to assess whether simulations provide a true representation of galaxy formation.

Sharbaf, Z. (ORCID:0009000450545946)↗
DOE OSTI2022

A New Constraint on the Nuclear Equation of State from Statistical Distributions of Compact Remnants of Supernovae

Abstract Understanding how matter behaves at the highest densities and temperatures is a major open problem in both nuclear physics and relativistic astrophysics. Our understanding of such behavior is often encapsulated in the so-called high-temperature nuclear equation of state (EOS), which influences compact binary mergers, core-collapse supernovae, and other phenomena. Our focus is on the type (either black hole or neutron star) and mass of the remnant of the core collapse of a massive star. For each six candidates of equations of state, we use a very large suite of spherically symmetric supernova models to generate a sample of synthetic populations of such remnants. We then compare these synthetic populations to the observed remnant population. Our study provides a novel constraint on the high-temperature nuclear EOS and describes which EOS candidates are more or less favored by an information-theoretic metric.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Black hole and galaxy co-evolution in radio-loud active galactic nuclei at z ~ 0.3–4

The relation between the mass of the supermassive black hole (SMBH) in the center of galaxies and their bulge mass or central velocity dispersion is well known. This suggests a coevolution between the SMBHs and their galaxy hosts. Our aim is to study this relation, specifically, for radio loud galaxies, and as a function of redshift z. We selected a sample of 42 radio galaxies and active galactic nuclei (AGN) with broad emission lines and spectroscopic redshifts between z = 0.3 - 4 by cross-matching the low radio frequency sources from Very Large Array (VLA) FIRST with spectroscopically confirmed galaxies from wide-field surveys, including Sloan Digital Sky Survey (SDSS) DR14 ugriz and Dark Energy Survey (DES) DR2 grzY in the optical, Wield Infrared Survey Explorer (WISE), and the Galaxy And Mass Assembly (GAMA) spectroscopic survey. We characterized the stellar mass (M $\star$ ), star formation, and black hole properties (mass of the central SMBH, Eddington ratio η, and jet power, Q jet ). The relation between SMBH mass, M $\star$ , η, and z is placed into context by comparing them with scaling relations (M BH –M $\star$ , M BH /M $\star$ –z, M BH –Q jet , and Q jet –η) from the literature. On the basis of a multiwavelength spectral energy distribution modeling, our radio sources are broadly consistent with being on the star-forming main sequence. They have sub-Eddington accretion rates, η ≃ 1% on average, as typically found in type I AGN, while higher accretion rates favor more powerful jets to be launched by the central engine. We find overmassive SMBHs in (17 ± 5)% of our radio sources, similarly to previous studies on nearby early-type galaxies. Altogether, an evolutionary scenario in which radio-mode AGN feedback regulates the accretion onto the SMBHs and the stellar mass assembly of the radio sources is discussed, which may explain the observed phenomenology. This pilot study represents a benchmark for future studies using wide-field surveys such as those with Euclid and the Vera Rubin Observatory.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Dark Energy Survey Identification of A Low-Mass Active Galactic Nucleus at Redshift 0.823 from Optical Variability

We report the identification of a low-mass active galactic nucleus (AGN), DES J0218−0430, in a redshift z = 0.823 galaxy in the Dark Energy Survey (DES) Supernova field. We select DES J0218−0430 as an AGN candidate by characterizing its long-term optical variability alone based on DES optical broad-band light curves spanning over 6 yr. An archival optical spectrum from the fourth phase of the Sloan Digital Sky Survey shows both broad Mg ii and broad H β lines, confirming its nature as a broad-line AGN. Archival XMM–Newton X-ray observations suggest an intrinsic hard X-ray luminosity of |$L_{{\rm 2-12\, keV}}\approx 7.6\pm 0.4\times 10^{43}$| erg s^−1, which exceeds those of the most X-ray luminous starburst galaxies, in support of an AGN driving the optical variability. Based on the broad H β from SDSS spectrum, we estimate a virial black hole (BH) mass of M_• ≈ 10^6.43–10^6.72 M_⊙ (with the error denoting the systematic uncertainty from different calibrations), consistent with the estimation from OzDES, making it the lowest mass AGN with redshift > 0.4 detected in optical. We estimate the host galaxy stellar mass to be M_* ≈ 10^10.5 ± 0.3 M_⊙ based on modelling the multiwavelength spectral energy distribution. DES J0218−0430 extends the M_•–M_* relation observed in luminous AGNs at z ∼ 1 to masses lower than being probed by previous work. Our work demonstrates the feasibility of using optical variability to identify low-mass AGNs at higher redshift in deeper synoptic surveys with direct implications for the upcoming Legacy Survey of Space and Time at Vera C. Rubin Observatory.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Strange quark matter as dark matter: 40 yr later, a reappraisal

ABSTRACT Forty years ago Witten suggested that dark matter could be composed of macroscopic clusters of strange quark matter. This idea was very popular for several years, but it dropped out of fashion once lattice quantum chromodynamics calculations indicated that the confinement/deconfinement transition, at small baryonic chemical potential, is not first order, which seemed to be a crucial requirement in order to produce large clusters of quarks. Here, we revisit the conditions under which strangelets can be produced in the Early Universe. We discuss the impact of an instability in the hadronic phase separating a low density, positive-strange-charge phase from a high-density phase with a negative strange charge. This second phase can rapidly stabilize by forming colour-superconducting gaps. The strangelets then undergo partial evaporation. In this way, we obtain distributions of their sizes in agreement with the observational constraints and we discuss the many astrophysical and cosmological implications of these objects. Finally, we examine the most promising techniques to detect this type of strangelets. We also show that strangelets can exist with masses $\lesssim $1017 g, while primordial black holes are ruled out in that mass range, allowing us to distinguish between these two dark matter candidates.

Clemente, Francesco Di (ORCID:0000000282573819)↗
DOE OSTI2021

Towards testing the theory of gravity with DESI: summary statistics, model predictions and future simulation requirements

Shortly after its discovery, General Relativity (GR) was applied to predict the behavior of our Universe on the largest scales, and later became the foundation of modern cosmology. Its validity has been verified on a range of scales and environments from the Solar system to merging black holes. However, experimental confirmations of GR on cosmological scales have so far lacked the accuracy one would hope for — its applications on those scales being largely based on extrapolation and its validity there sometimes questioned in the shadow of the discovery of the unexpected cosmic acceleration. Future astronomical instruments surveying the distribution and evolution of galaxies over substantial portions of the observable Universe, such as the Dark Energy Spectroscopic Instrument (DESI), will be able to measure the fingerprints of gravity and their statistical power will allow strong constraints on alternatives to GR. In this paper, based on a set of N-body simulations and mock galaxy catalogs, we study the predictions of a number of traditional and novel summary statistics beyond linear redshift distortions in two well-studied modified gravity models — chameleon f(R) gravity and a braneworld model — and the potential of testing these deviations from GR using DESI. These summary statistics employ a wide array of statistical properties of the galaxy and the underlying dark matter field, including two-point and higher-order statistics, environmental dependence, redshift space distortions and weak lensing. We find that they hold promising power for testing GR to unprecedented precision. The major future challenge is to make realistic, simulation-based mock galaxy catalogs for both GR and alternative models to fully exploit the statistic power of the DESI survey (by matching the volumes and galaxy number densities of the mocks to those in the real survey) and to better understand the impact of key systematic effects. Using these, we identify future simulation and analysis needs for gravity tests using DESI.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

First-principles electron-phonon interactions and polarons in the parent cuprate La 2 CuO 4

Understanding electronic interactions in high-temperature superconductors is an outstanding challenge. In the widely studied cuprate materials, experimental evidence points to strong electron-phonon ( e -ph) coupling and broad photoemission spectra. Yet, the microscopic origin of this behavior is not fully understood. Here, we study e -ph interactions and polarons in a prototypical parent (undoped) cuprate, La 2 CuO 4 (LCO), by means of first-principles calculations. Leveraging parameter-free Hubbard-corrected density functional theory, we obtain a ground state with the band gap and Cu magnetic moment in nearly exact agreement with experiments. This enables a quantitative characterization of e -ph interactions. Our calculations reveal two classes of longitudinal optical (LO) phonons with strong e -ph coupling to hole states. These modes consist of bond stretching and bond bending in the Cu-O plane as well as vibrations of apical O atoms. The hole spectral functions, obtained with a cumulant method that can capture strong e -ph coupling, exhibit broad quasiparticle peaks with a small spectral weight ( Z ≈ 0.25 ) and pronounced LO-phonon sidebands characteristic of polaron effects. Our calculations predict features observed in photoemission spectra, including a 40-meV peak in the e -ph coupling distribution function not explained by existing models. These results show that the universal strong e -ph coupling found experimentally in doped lanthanum cuprates is also present in the parent compound, and elucidate its microscopic origin. Published by the American Physical Society 2025

Chang, Benjamin K. (ORCID:0000000313049324)↗
DOE OSTI2024

Searching for the Highest- z Dual Active Galactic Nuclei in the Deepest Chandra Surveys

We present an analysis searching for dual active galactic nuclei (AGN) among 62 high-redshift (2.5 < z < 3.5) X-ray sources selected from the X-UDS, AEGIS-XD, CDF-S, and COSMOS-Legacy Chandra surveys. We aim to quantify the frequency of dual AGN in the high-redshift Universe, which holds implications for black hole merger timescales and low-frequency gravitational wave detection rates. We analyze each X-ray source using BAYMAX, an analysis tool that calculates the Bayes factor for whether a given archival Chandra AGN is more likely a single or dual point source. We find no strong evidence for dual AGN in any individual source in our sample. We increase our sensitivity to search for dual AGN across the sample by comparing our measured distribution of Bayes factors to that expected from a sample composed entirely of single point sources and find no evidence for dual AGN in the sample distribution. Although our analysis utilizes one of the largest Chandra catalogs of high-z X-ray point sources available to study, the findings remain limited by the modest number of sources observed at the highest spatial resolution with Chandra and the typical count rates of the detected sources. Our nondetection allows us to place an upper limit on the X-ray dual AGN fraction at 2.5 < z < 3.5 of 4.8% at the 95% confidence level. Expanding substantially on these results at X-ray wavelengths will require future surveys spanning larger sky areas and extending to fainter fluxes than has been possible with Chandra. We illustrate the potential of the AXIS mission concept in this regard.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Periodicity significance testing with null-signal templates: reassessment of PTF’s SMBH binary candidates

Periodograms are widely employed for identifying periodicity in time series data, yet they often struggle to accurately quantify the statistical significance of detected periodic signals when the data complexity precludes reliable simulations. We develop a data-driven approach to address this challenge by introducing a null-signal template (NST). The NST is created by carefully randomizing the period of each cycle in the periodogram template, rendering it non-periodic. It has the same frequentist properties as a periodic signal template, and we show with simulations that the distribution of false positives is the same as with the original periodic template, regardless of the underlying data. Thus, performing a periodicity search with the NST acts as an effective simulation of the null (no-signal) hypothesis, without having to simulate the noise properties of the data. We apply the NST method to the supermassive black hole binaries (SMBHB) search in the Palomar Transient Factory (PTF), where Charisi et al. had previously proposed 33 high signal-to-noise candidates utilizing simulations to quantify their significance. Our approach reveals that these simulations do not capture the complexity of the real data. There are no statistically significant periodic signal detections above the non-periodic background. To improve the search sensitivity, we introduce a Gaussian quadrature based algorithm for the Bayes Factor with correlated noise as a test statistic. We show with simulations that this improves sensitivity to true signals by more than an order of magnitude. However, the Bayes Factor approach also results in no statistically significant detections in the PTF data.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

The role of electric dominance for particle injection in relativistic reconnection

ABSTRACT Magnetic reconnection in relativistic plasmas – where the magnetization $\sigma \gg 1$ – is regarded as an efficient particle accelerator, capable of explaining the most dramatic astrophysical flares. We employ two-dimensional (2D) particle-in-cell simulations of relativistic pair-plasma reconnection with vanishing guide field and outflow boundaries to quantify the impact of the energy gain occurring in regions of electric dominance ($E\gt B$) for the early stages of particle acceleration (i.e. the ‘injection’ stage). Given an injection threshold energy $\epsilon ^\ast =\sigma /4$ for the particles that eventually attain energy $\epsilon _{\rm T}$ by time T, we calculate the mean fractional contribution $\zeta (\epsilon ^\ast ,\epsilon _{\rm T})$ by $E\gt B$ fields to particle energization at the time when the threshold $\epsilon ^\ast$ is reached. We find that $\zeta$ monotonically increases with $\sigma$ and $\epsilon _{\rm T}$; for $\sigma \gtrsim 50$ and $\epsilon _{\rm T}/\sigma \gtrsim 8$, we find that $\gtrsim 80~{{\ \rm per\ cent}}$ of the energy gain obtained before reaching $\epsilon ^\ast =\sigma /4$ occurs in $E\gt B$ regions. We find that $\zeta$ is independent of simulation box size $L_x$, as long as $\epsilon _{\rm T}$ is normalized to the maximum particle energy, which scales as $\epsilon _{\rm max}\propto L_{\rm x}^{1/2}$ in 2D. The distribution of energy gains $\epsilon _{\chi }$ acquired in $E\gt B$ regions can be modelled as $\mathrm{ d}N/\mathrm{ d}\epsilon _{\chi }\propto \epsilon _{\chi }^{-0.35}\exp [-(\epsilon _{\chi }/0.06\, \sigma)^{0.5}]$. Our results help assess the role of electric dominance in relativistic reconnection with vanishing guide fields, which is realized in the magnetospheres of black holes and neutron stars.

Gupta, Sanya (ORCID:0000000151944384)↗
DOE OSTI2022

First Sagittarius A* Event Horizon Telescope Results. V. Testing Astrophysical Models of the Galactic Center Black Hole

In this paper we provide a first physical interpretation for the Event Horizon Telescope's (EHT) 2017 observations of Sgr A*. Our main approach is to compare resolved EHT data at 230 GHz and unresolved non-EHT observations from radio to X-ray wavelengths to predictions from a library of models based on time-dependent general relativistic magnetohydrodynamics simulations, including aligned, tilted, and stellar-wind-fed simulations; radiative transfer is performed assuming both thermal and nonthermal electron distribution functions. We test the models against 11 constraints drawn from EHT 230 GHz data and observations at 86 GHz, 2.2μm, and in the X-ray. All models fail at least one constraint. Light-curve variability provides a particularly severe constraint, failing nearly all strongly magnetized (magnetically arrested disk (MAD)) models and a large fraction of weakly magnetized models. A number of models fail only the variability constraints. We identify a promising cluster of these models, which are MAD and have inclination i ≤ 30°. They have accretion rate (5.2–9.5) × 10$^{−9}$ M $_{⊙}$ yr$^{−1}$, bolometric luminosity (6.8–9.2) × 10$^{35}$ erg s$^{−1}$, and outflow power (1.3–4.8) × 10$^{38}$ erg s$^{−1}$. We also find that all models with i ≥ 70° fail at least two constraints, as do all models with equal ion and electron temperature; exploratory, nonthermal model sets tend to have higher 2.2μm flux density; and the population of cold electrons is limited by X-ray constraints due to the risk of bremsstrahlung overproduction. Finally, we discuss physical and numerical limitations of the models, highlighting the possible importance of kinetic effects and duration of the simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Morphological–Electrical Property Relation in Cu(In,Ga)(S,Se) 2 Solar Cells: Significance of Crystal Grain Growth and Band Grading by Potassium Treatment

Abstract Solution‐processed Cu(In,Ga)(S,Se) 2 (CIGS) has a great potential for the production of large‐area photovoltaic devices at low cost. However, CIGS solar cells processed from solution exhibit relatively lower performance compared to vacuum‐processed devices because of a lack of proper composition distribution, which is mainly instigated by the limited Se uptake during chalcogenization. In this work, a unique potassium treatment method is utilized to improve the selenium uptake judiciously, enhancing grain sizes and forming a wider bandgap minimum region. Careful engineering of the bandgap grading structure also results in an enlarged space charge region, which is favorable for electron–hole separation and efficient charge carrier collection. Besides, this device processing approach has led to a linearly increasing electron diffusion length and carrier lifetime with increasing the grain size of the CIGS film, which is a critical achievement for enhancing photocurrent yield. Overall, 15% of power conversion efficiency is achieved in solar cells processed from environmentally benign solutions. This approach offers critical insights for precise device design and processing rules for solution‐processed CIGS solar cells.

Kim, Joo‐Hyun↗
DOE OSTI2024

Characterization of Deformational Isomerization Potential and Interconversion Dynamics with Ultrafast X-ray Solution Scattering

Dimeric complexes composed of d 8 square planar metal centers and rigid bridging ligands provide model systems to understand the interplay between attractive dispersion forces and steric strain in order to assist the development of reliable methods to model metal dimer complexes more broadly. [Ir 2 (dimen) 4 ] 2+ (dimen = para-diisocyanomenthane) presents a unique case study for such phenomena, as distortions of the optimal structure of a ligand with limited conformational flexibility counteract the attractive dispersive forces from the metal and ligand to yield a complex with two ground state deformational isomers. Here, in this work, we use ultrafast X-ray solution scattering (XSS) and optical transient absorption spectroscopy (OTAS) to reveal the nature of the equilibrium distribution and the exchange rate between the deformational isomers. The two ground state isomers have spectrally distinct electronic excitations that enable the selective excitation of one isomer or the other using a femtosecond duration pulse of visible light. We then track the dynamics of the nonequilibrium depletion of the electronic ground state population—often termed the ground state hole—with ultrafast XSS and OTAS, revealing a restoration of the ground state equilibrium in 2.3 ps. This combined experimental and theoretical study provides a critical test of various density functional approximations in the description of bridged d 8 –d 8 metal complexes. The results show that density functional theory calculations can reproduce the primary experimental observations if dispersion interactions are added, and a hybrid functional, which includes exact exchange, is used.

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

Direct observation of polarization-induced two-dimensional electron/hole gases at ferroelectric-insulator interface

Abstract Two-dimensional electron gas or hole gas (2DEG or 2DHG) and their functionalities at artificial heterostructure interfaces have attracted extensive attention in recent years. Many theoretical calculations and recent experimental studies have shown the formation of alternating 2DEG and 2DHG at ferroelectric/insulator interfaces, such as BiFeO 3 /TbScO 3 , depending on the different polarization states. However, a direct observation based on the local charge distribution at the BiFeO 3 /TbScO 3 interface has yet to be explored. Herein we demonstrate the direct observation of 2DHG and 2DEG at BiFeO 3 /TbScO 3 interface using four-dimensional scanning transmission electron microscopy and Bader charge analysis. The results show that the measured charge state of each Fe/O columns at the interface undergoes a significant increase/reduction for the polarization state pointing away/toward the interface, indicating the existence of 2DHG/2DEG. This method opens up a path of directly observing charge at atomic scale and provides new insights into the design of future electronic nanodevices.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Theory of sigma bond resonance in flat boron materials

Abstract In chemistry, theory of aromaticity or π bond resonance plays a central role in intuitively understanding the stability and properties of organic molecules. Here we present an analogue theory for σ bond resonance in flat boron materials, which allows us to determine the distribution of two-center two-electron and three-center two-electron bonds without quantum calculations. Based on this theory, three rules are proposed to draw the Kekulé-like bonding configurations for flat boron materials and to explore their properties intuitively. As an application of the theory, a simple explanation of why neutral borophene with ~1/9 hole has the highest stability and the effect of charge doping on borophene’s optimal hole concentration is provided with the assumption of σ and π orbital occupation balance. Like the aromaticity theory for carbon materials, this theory greatly deepens our understanding on boron materials and paves the way for the rational design of various boron-based materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

The star formation properties of the observed and simulated AGN Universe: BAT versus EAGLE

ABSTRACT In this paper, we present data from 72 low-redshift, hard X-ray selected active galactic nucleus (AGN) taken from the Swift–BAT 58 month catalogue. We utilize spectral energy distribution fitting to the optical to infrared photometry in order to estimate host galaxy properties. We compare this observational sample to a volume- and flux-matched sample of AGN from the Evolution and Assembly of GaLaxies and their Environments (EAGLE) hydrodynamical simulations in order to verify how accurately the simulations can reproduce observed AGN host galaxy properties. After correcting for the known +0.2 dex offset in the SFRs between EAGLE and previous observations, we find agreement in the star formation rate (SFR) and X-ray luminosity distributions; however, we find that the stellar masses in EAGLE are 0.2–0.4 dex greater than the observational sample, which consequently leads to lower specific star formation rates (sSFRs). We compare these results to our previous study at high redshift, finding agreement in both the observations and simulations, whereby the widths of sSFR distributions are similar (∼0.4–0.6 dex) and the median of the SFR distributions lie below the star-forming main sequence by ∼0.3–0.5 dex across all samples. We also use EAGLE to select a sample of AGN host galaxies at high and low redshift and follow their characteristic evolution from z = 8 to z = 0. We find similar behaviour between these two samples, whereby star formation is quenched when the black hole goes through its phase of most rapid growth. Utilizing EAGLE we find that 23 per cent of AGN selected at z ∼ 0 are also AGN at high redshift, and that their host galaxies are among the most massive objects in the simulation. Overall, we find EAGLE reproduces the observations well, with some minor inconsistencies (∼0.2 dex in stellar masses and ∼0.4 dex in sSFRs).

Jackson, Thomas M.↗
DOE OSTI2022

Investigating Local Carrier Dynamics in PERC Patterned CdTe Solar Cells

Remarkable progress has been achieved in CdTe photovoltaics (PVs) to further improve cell performance while reducing manufacturing costs. Researchers optimized the front contact that leads the short-circuit current density (J sc ) over 31mA/cm 2 (e.g., (Zn, Mg)O buffer layer and/or alloying CdTe with Se). Reese et al. reported an open-circuit voltage (V oc ) over 1 V with group-V doped single crystal, showing the feasibility of increasing V oc in CdTe PV that is fixed to less than 900 mV in most cases. Recent studies suggested that the V oc improvement in polycrystalline CdTe PVs requires well-passivated back contact. One possible strategy is to use CdMgTe alloy (E g > 1.8 eV), where the band-gap offset (ΔE CB ≈ 0.2 eV) reflects minority carrier electrons, thereby decreasing surface recombination. Another strategy is to utilize a stable Al 2 O 3 layer as an electron reflector; experimental works confirmed the improved performance with a conformal Al 2 O 3 layer. In this configuration, the precise control of Al 2 O 3 (≈1 nm) over the entire CdTe layer is essential because the J sc greatly depends on the tunneling current. While promising, both CdMgTe and Al 2 O 3 passivation on CdTe introduce unfavorable valence band offset that blocks the hole transport. Kephart et al. proposed a patterned passixc vation layer (≈ 20 nm Al 2 O 3 ) with point contacts (≈ 3 μm in diameter) that extract hole carriers. This configuration is similar to the passive emitter and rear contact (PERC) design that has been extensively studied in Si PVs. While remarkably high carrier lifetime and photoluminescence (> 10 X) were measured, consistent improvement in V oc and efficiency in this CdTe PERC were not yet observed. At this time, it is unclear how the surface potential is distributed in the presence of patterned Al 2 O 3 reflectors and how this additional field impacts the PV performance for Cu-doped and group-V doped CdTe PERC devices. To tackle this challenge, we develop robust nanofabrication and characterization platform to study CdTe PERC devices consisting of a patterned Al 2 O 3 layer on CdSe( 1-x )Te x (Cu-doped, GrV-doped; x = 0 to 1; CST). First Solar supplies high-quality CST materials. The dark and light I-Vs under 1-sun illumination are extracted for a series of each set of devices. We perform quantitative and qualitative PV analysis for a series of Cu-doped and Gr-V doped PERC devices, showing notably different V oc changes for GrV-doped compared to Cu-doped PERC devices. This project attempts to produce individual contacts on single grains and grain boundaries to measure lateral transport. As a model system, we use a CdSe( 1-x )Te x film on glass prepared by a colossal grain growth (CGG) technique at National Renewable Research Laboratories (NREL). Our preliminary results confirm that intergranular transport is hindered by the electrical barrier formed near grain boundaries. The PERC fabrication and the lateral transport measurement platform developed in this project can easily be applied to other types of advanced CdSe( 1-x )Te x architectures to better understand local photocarrier transport, in turn, providing the fundamental knowledge to improve the performance of CdTe PVs.

14 SOLAR ENERGY↗