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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS2007

[Overview of the GSFC Effort to Build Microwave Detectors for CMB Polarization]

Filled arrays of bolometers are currently being employed for use in astronomy from the far-infrared through millimeter portion of the electromagnetic spectrum. Because of the large range of wavelengths for which such detectors are applicable, the size of a pixel (p) relative to the wavelength (lambda) will vary according to the specific application of a given available technology. As the pixel size becomes comparable to a wavelength of the absorbed radiation, correlations in the radiation field at the pixel can affect the imaging properties of the system independent of the correlations introduced by the front-end optics. We study the dependence of image fidelity and induced polarization on the size of the pixel by employing a formalism in which diffraction due to the pixel boundary is treated by propagating the second-order statistical correlations of the radiation field through a model optical system. We construct simulated polarized images of square pixels for various ratios of p lambda. For the limit in which few modes are supported by the pixel (p lambda lesssiml), we find that the diffraction due to the pixel edges is non-negligible and hence must be considered along with the telescope diffraction pattern in modeling the ultimate spatial resolution of an imaging system. For the case in which the pixel is over-moded (p lambda ggl), the geometric limit is approached as expected. This technique provides a quantitative approach to understand and optimize the imaging properties of planar detectors in the few-mode limit.

Chuss, David↗
DOE OSTI2022

Distributed polarization-doped GaN p–n diodes with near-unity ideality factor and avalanche breakdown voltage of 1.25 kV

Polarization-induced (Pi) distributed or bulk doping in GaN, with a zero dopant ionization energy, can reduce temperature or frequency dispersions in impurity-doped p–n junctions caused by the deep-acceptor-nature of Mg, thus offering GaN power devices promising prospects. Before comprehensively assessing the benefits of Pi-doping, ideal junction behaviors and high-voltage capabilities should be confirmed. In this work, we demonstrate near-ideal forward and reverse I–V characteristics in Pi-doped GaN power p–n diodes, which incorporates linearly graded, coherently strained AlGaN layers. Hall measurements show a net increase in the hole concentration of 8.9 × 1016 cm−3 in the p-layer as a result of the polarization charge. In the Pi-doped n-layer, a record-low electron concentration of 2.5 × 1016 cm−3 is realized due to the gradual grading of Al0-0.72GaN over 1 μm. The Pi-doped p–n diodes have an ideality factor as low as 1.1 and a 0.10 V higher turn-on voltage than the impurity-doped p–n diodes due to the increase in the bandgap at the junction edge. A differential specific on-resistance of 0.1 mΩ cm2 is extracted from the Pi-doped p–n diodes, similar with the impurity-doped counterpart. The Pi-doped diodes show an avalanche breakdown voltage of ∼1.25 kV, indicating a high reverse blocking capability even without an ideal edge-termination. This work confirms that distributed Pi-doping can be incorporated in high-voltage GaN power devices to increase hole concentrations while maintaining excellent junction properties.

Nomoto, Kazuki↗
DOE OSTI2022

Efficiency and Forward Voltage of Blue and Green Lateral LEDs with V-shaped Defects and Random Alloy Fluctuation in Quantum Wells

For nitride-based blue and green light-emitting diodes (LEDs), the forward voltage V for is larger than expected, especially for green LEDs. This is mainly due to the large barriers to vertical carrier transport caused by the total polarization discontinuity at multiple quantum well and quantum barrier interfaces. The natural random alloy fluctuation in quantum wells has proven to be an important factor reducing V for . However, this does not suffice in the case of green LEDs because of their larger polarization-induced barrier. V-shaped defects (V-defects) have been proposed as another key factor in reducing V for to allow lateral injection into multiple quantum wells, thus bypassing the multiple energy barriers incurred by vertical transport. In this paper, to model carrier transport in the whole LED, we consider both random-alloy and V-defect effects. A fully two-dimensional drift-diffusion charge-control solver is used to model both effects. The results indicate that the turn-on voltages for blue and green LEDs are both affected by random alloy fluctuations and the V-defect density. For green LEDs, V for decreases more due to V-defects, where the smaller polarization barrier at the V-defect sidewall is the major path for lateral carrier injection. Then, we discuss how the V-defect density and size affects the results.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Time-Resolved Spectroscopy of Insulator-Metal Transitions: Exploring Low-Energy Dynamics in Strongly Correlated Systems. Final Report

Transition metal oxides (TMOs) have attracted much attention in recent years. The strong coupling between charge, spin, and orbital degrees of freedom creates novel functional properties. The research at the interplay between ferromagnetism, ferroelectricity and conductivity provides a promising way to the development of future spintronic devices. The interface characterization of multifunctional oxide heterostructures is crucial to understand deeply the magnetic response, spin injection and spin transport. In year one, we characterized optically the magnetic property with the method of magnetization-induced second-harmonic generation (MSHG), which is a sensitive technique to selectively probe the interface where the spatial inversion symmetry is broken. The interface of n-type BaTiO 3 (BTO)/La 0.67 Sr 0.33 MnO 3 (LSMO) forms a Schottky barrier and displays a good diode effect. By applying an external electric field across the sample, we observe the magnetoelectric (ME) coupling effect to modulate the interface magnetization. The voltage dependent magnetic contrast sharply vanishes at positive voltage (applied to LSMO contact) and reveals a ferromagnetic (FM)-to- antiferromagnetic (AFM) transition occurring at the interface, while the magneto-optic Kerr effect (MOKE) indicates that the bulk property is not affected. The strain mediated mechanism and ferroelectric (FE) polarization induced charge medicated mechanism are both discussed, but they do not play an important role in the observed magnetization transition. A new mechanism is proposed - the injected minority spins through strong Hund's interaction with the local magnetic moments at positive voltage weaken the double-exchange interaction of nearby Mn e g electrons, thereby reducing the ferromagnetic (FM) ordering. The dominant superexchange interaction of localized t 2g electrons finally leads to the AFM configuration. By reducing the electron carrier concentration of BTO, a positive voltage shift of the transition is observed. The oxygen richer sample with lower carrier concentration requires a higher voltage to increase the hole doping level of LSMO to induce the interfacial AFM phase. By inserting a thin (1nm) La 0.5 Ca 0.5 MnO 3 layer between BTO and LSMO, the interface magnetic response from LSMO is enhanced. In year two, a non-multiferroic heterostructure SrTiO 3 (STO)/ La 0.5 Ca 0.5 MnO 3 (LCMO)/La 0.67 Sr 0.33 MnO 3 (LSMO) was studied. In this system, the interface FM-AFM transition is observed at negative voltage. The STO layer may act as a hole-donating layer, which induces the hole transfer to LSMO making it overdoped, while the LCMO interlayer at the 0.5 hole doping level displays complicated CE type AFM phase. Thus the AFM phase is dominant at the interface and electron accumulation is required to induce the FM phase by applying a negative voltage. For oxygen rich sample, the magnetic MSHG loop reappears at high positive voltage (around +2.5 V). At high doping level (x > 0.5), LSMO exhibits A-type AFM order, consisting of AFM superexchange coupling between adjacent layers and intralayer FM double-exchange coupling. The less tensile strain of STO and LSMO due to a smaller lattice mismatch as compared to BTO would result in a weaker interlayer coupling . Thus, interfacial A-type AFM order can occur in STO/LCMO/LSMO heterostructure at high hole doping concentration. The study of ME coupling of multifunctional oxide heterostructures is definitely important to the development and performance of future spintronic devices. The results presented here regarding the interfacial magnetic transition controlled by an external electric field offer some new perspective to study the spin transport of magnetic tunnel junctions.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Moderate Resolution Imaging Spectrometer-Tilt (MODIS-T) baseline concept

There will be several state of the art spectrometers in operation on the NASA Polar Orbiting Platform (NPOP-1) as part of the Earth Observing System (EOS). The Moderate Resolution Imaging Spectrometer (MODIS) will consist of two imaging spectroradiometric instruments, one nadir viewing (MODIS-N) and the other tiltable (MODIS-T) for ocean observation and land bidirectional reflectance studies. The Moderate Resolution Imaging Spectrometer-Tilt (MODIS-T) instrument is presently being constructed for flight on the EOS. It is an imaging spectrometer utilizing a grating type, reflecting Schmidt optical design that must provide a 1.1 kilometer spatial resolution at nadir from a spacecraft altitude of 705 kilometers with a 1500 kilometer cross-track swath and a +/- 50 degree forward and aft tilt capability. The instrument is required to cover the wavelength range from 400 to 880 nanometers in approximately 15 nanometer steps with less than 2.3 percent instrument induced polarization. The absolute radiometric accuracy must be at least 5 percent over the full dynamic range of the instrument.

Magner, Thomas J.↗
NASA NTRS1993

The Effects of Neutral Inertia on Ionospheric Currents in the High-Latitude Thermosphere Following a Geomagnetic Storm

Results of an experimental and theoretical investigation into the effects of the time dependent neutral wind flywheel on high-latitude ionospheric electrodynamics are presented. The results extend our previous work which used the National Center for Atmospheric Research Thermosphere/Ionosphere General Circulation Model (NCAR TIGCM) to theoretically simulate flywheel effects in the aftermath of a geomagnetic storm. The previous results indicated that the neutral circulation, set up by ion-neutral momentum coupling in the main phase of a geomagnetic storm, is maintained for several hours after the main phase has ended and may dominate height-integrated Hall currents and field-aligned currents for up to 4-5 hours. We extend the work of Deng et al. to include comparisons between the calculated time-dependent ionospheric Hall current system in the storm-time recovery period and that measured by instruments on board the Dynamics Explorer 2 (DE 2) satellite. Also, comparisons are made between calculated field-aligned currents and those derived from DE 2 magnetometer measurements. These calculations also allow us to calculate the power transfer rate (sometimes called the Poynting flux) between the magnetosphere and ionosphere. The following conclusions have been drawn: (1) Neutral winds can contribute significantly to the horizontal ionospheric current system in the period immediately following the main phase of a geomagnetic storm, especially over the magnetic polar cap and in regions of ion drift shear. (2) Neutral winds drive Hall currents that flow in the opposite direction to those driven by ion drifts. (3) The overall morphology of the calculated field-aligned current system agrees with previously published observations for the interplanetary magnetic field (IMF) B(sub Z) southward conditions, although the region I and region 2 currents are smeared by the TI(ICM model grid resolution. (4) Neutral winds can make significant contributions to the field-aligned current system when B(sub Z) northward conditions prevail following the main phase of a storm, but can account for only a fraction of the observed currents. (5) DE 2 measurements provide a demonstration of "local" (satellite-altitude) flywheel effects. (6) On the assumption that the magnetosphere acts as an insulator, we calculate neutral-wind-induced polarization electric fields of approx. 20-30 kV in the period immediately following the geomagnetic storm.

Deng, W.↗
DOE OSTI2021

Magnetic structure and multiferroicity of Sc-substituted hexagonal YbFeO 3

The hexagonal rare-earth ferrite RFeO 3 family represents a unique class of multiferroics exhibiting weak ferromagnetism, and a strong coupling between magnetism and structural trimerization is predicted. However, the hexagonal structure for RFeO 3 remains metastable in conventional conditions. We have succeeded in stabilizing the hexagonal structure of polycrystalline YbFeO 3 by partial Sc substitution of Yb. Using bulk magnetometry and neutron diffraction, we find that Yb 0.42 Sc 0.58 FeO 3 orders into a canted antiferromagnetic state with the Néel temperature T N ~ 165K, below which the Fe 3+ moments form the triangular configuration in the ab plane and their in-plane projections are parallel to the [100] axis, consistent with magnetic space group P6 3 c'm'. It is determined that the spin canting is aligned along the c axis, giving rise to the weak ferromagnetism. Furthermore, the Fe 3+ moments reorient toward a new direction below reorientation temperature T R ~ 40K, satisfying magnetic subgroup P6 3 , while the Yb 3+ moments order independently and ferrimagnetically along the c axis at the characteristic temperature T Yb ~ 15K. Interestingly, reproducible modulation of electric polarization induced by magnetic field at low temperature is achieved, suggesting that the delicate structural distortion associated with two-up/one-down buckling of the Yb/Sc planes and tilting of the FeO 5 bipyramids may mediate the coupling between ferroelectric and magnetic orders under magnetic field. Furthermore, the present work represents substantial progress to search for high-temperature multiferroics in hexagonal ferrites and related materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Dislocation-induced large local polarization inhomogeneity of ferroelectric materials

Dislocations in ferroelectrics play important roles in ferroelectricity, piezoelectricity, and dielectricity. However, the intrinsic charge-lattice coupling mechanism in ferroelectric crystals containing dislocations is still not well understood. Here, we report a large local polarization inhomogeneity of ~100 μCcm –2 induced by a single a[001] dislocation in the PbZr 0.2 Ti 0.8 O 3 /SrTiO 3 film/substrate heterostructure, the tensile region (~120 μCcm –2 ) and the compressive strain region (~21 μCcm –2 ) around the dislocation forms a butterfly-like area. Furthermore, this study reveals the dramatic effects of dislocations on local polarization and provides a strategy to manipulate the polarization magnitude and orientation of local polarization by defect engineering.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Realization of Non‐Equilibrium Wurtzite Structure in Heterovalent Ternary MgSiN 2 Film Grown by Reactive Sputtering

The piezoelectric and ferroelectric applications of heterovalent ternary materials are not well explored. Epitaxial MgSiN 2 films are grown at 600 °C on (111)Pt//(001)Al 2 O 3 substrates by the reactive sputtering method using metallic Mg and Si under the N 2 atmosphere. Detailed X-ray diffraction measurements and transmission electron microscopy observations revealed that the epitaxially grown films on the substrates have a hexagonal wurtzite structure with c-axis out-of-plane orientation. The random occupation of this structure by Mg and Si differs from that of the previously reported structure in which these two cations periodically occupy the cationic sites. However, the lattice spacings closely approximate those that are previously reported, irrespective of the ordering, and they are almost comparable with those of (Al 0.8 Sc 0.2 )N. The wide bandgap of >5.0 eV in deposited MgSiN 2 is compatible with that of AlN and suggests durability against the application of strong external electric fields, possibly to induce polarization switching. In addition, MgSiN 2 is shown to have piezoelectric properties with an effective d 33 value of 2.3 pm V −1 for the first time. This work demonstrates the compositional expansion of hexagonal wurtzite to heterovalent ternary nitrides for novel piezoelectric materials, whose ferroelectricity is expected.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Distinct Dynamics of Lithium Intercalation and Plating on Graphite Anode for Li‐Ion Batteries in eVTOL Applications

In the absence of viable high-energy-density battery alternatives, lithium-ion (Li-ion) batteries remain essential for enabling electric vertical take-off and landing (eVTOL) platforms in advanced air mobility. Unlike Li-ion batteries used in electric vehicles and portable electronics, eVTOL battery systems operate under distinct high-power demands, which necessitate an independent assessment of material degradation mechanisms. This study presents a case analysis of graphite anode evolution under high-power cycling conditions. The findings reveal lithium entrapment within graphite particles, potentially resulting from incomplete Li-ion de-intercalation during a high-rate discharge event that is characteristic of eVTOL take-off and landing. This phenomenon leads to a progressive reduction in graphite-specific capacity and, over time, promotes lithium metal plating on the anode. Notably, the Li-metal plating observed in this study differs from that associated with fast-charging conditions, as it is primarily governed by concentration polarization-induced overpotential in the latter case. In conclusion, these findings highlight the inherent challenges of utilizing graphite in high-power Li-ion battery applications and elucidate the unique degradation mechanisms that arise due to the sluggish reaction kinetics of Li-ion intercalation and de-intercalation within graphite.

Li plating↗
DOE OSTI2026

Rapid Coal-Ash Characterization using Geophysical Methods & Machine Learning

Coal combustion products (CCP) are challenging to delineate in heterogeneous field settings. Conventional methods (test pits, coring, and laboratory analyses) are labor-intensive, slow, invasive, and provide sparse spatial coverage. This study evaluates whether rapid non-invasive geophysical screening methods—induced polarization (IP), magnetic susceptibility, and nuclear magnetic resonance (NMR) —combined with surface colorimetry (RGB_24), can discriminate CCP-soil mixtures and provide reliable estimates of CCP content. Laboratory measurements were collected on five CCP-soil mixtures (series) and modeled using (i) a linear baseline, (ii) a calibrated non-linear (power-mean) model, and (iii) a machine-learning (ML) Random Forest approach, with validation via leave-one-series-out and site-specific tests. Across the five series, individual signals—particularly IP and magnetic susceptibility—were strongly predictive of ash content but were consistently outperformed by combined models. The pooled calibrated non-linear and ML models captured the observed non-linearity and achieved high accuracy and precision, improving on linear fits. Colorimetry showed the weakest direct relationship with ash content for the tested samples but improved performance when included in multi-signal models. At pre-selected 3.5% decision threshold, calibrated and ML approaches yielded near-perfect classification (Matthews correlation coefficient ˜ 1), suggesting strong practical operability for field screening. Additionally, field-analog tests highlighted the role of endmembers—accuracy declined without access to end-member measurements but was largely recovered by collecting a minimal labeled pair for local recalibration. With end members, accuracy remained high. Globally trained models performed well on three operational unknowns; however, series-specific refits provided the most accurate predictions. Overall, these results highlight the potential of combining rapid geophysics and minimal local calibration for improved coal-ash delineation.

Peshtani, Klaudio↗
DOE OSTI2024

Unraveling the conundrum of electronic leakage in protonic ceramic cells: Operation-specific insights and rational design strategies

Electronic conduction through proton-conducting electrolytes significantly impairs the efficiency of protonic ceramic cells (PCCs). Here, in this study, we explore the electron and ion mixed transport properties of four common protonic ceramics, BaZr 0.8 Y 0.2 O 3-δ (BZY82), BaZr 0.7 Ce 0.2 Y 0.1 O 3-δ (BZCY721), BaZr 04 Ce 0.4 Y 0.1 Yb 0.1 O 3-δ (BZCYYb4411), and BaZr 0.1 Ce 0.7 Y 0.1 Yb 0.1 O 3-δ (BZCYYb1711). It marks the first instance of investigating these properties under operation-specific scenarios: fuel side of electrolysis cell, air side of electrolysis cell, fuel side of fuel cell, and air side of the fuel cell. BZCYYb1711 exhibits the highest ionic conductivity, but two to three times higher electronic leakage when exposed to oxygen-containing environments than the others. BZY82 exhibits approximately two times higher electronic leakage in a hydrogen-containing environment. BZCY721 demonstrates excellent ion transport numbers (~0.95) across these four operating conditions. BZCYYb4411 behaves quite similarly to BZCY721. The most challenging operating environment for all candidates is the air side of fuel cell mode. This mode leads to a high initial electronic leakage, followed by a significant increase with polarization. The probable cause for this behavior is a H 2 -free, polarization-induced reduction that leads to the formation of V$^•_O$. The electron small polaron associated with V$^•_O$ is released by the electrical field due to the Poole-Frenkel effect. ZnO and NiO sintering aids are found to be detrimental to the ionic conductivity of the electrolytes. In particular, NiO substantially lowers the ion transport number. The correlation of the operation-specific electronic leakage to full cells is discussed. It is suggested that a rational PCC design should synergistically couple BZCYYb1711 at fuel side with BZCY4411 at air side to deliver a well-balanced performance and faradaic efficiency simultaneously, and the high temperature sintering process with a NiO fuel electrode should be shortened or replaced by ultra-fast sintering techniques or using a fuel electrode scaffold-infiltration fabrication strategy.

42 ENGINEERING↗
DOE OSTI2024

Core/Shell-Like Localized Emission at Atomically Thin Semiconductor–Au Interface

Localized emission in atomically thin semiconductors has sparked significant interest as single-photon sources. Despite comprehensive studies into the correlation between localized strain and exciton emission, the impacts of charge transfer on nanobubble emission remains elusive. Here, in this paper, we report the observation of core/shell-like localized emission from monolayer WSe 2 nanobubbles at room temperature through near-field studies. By altering the electronic junction between monolayer WSe 2 and the Au substrate, one can effectively adjust the semiconductor to metal junction from a Schottky to an Ohmic junction. Through concurrent analysis of topography, potential, tip-enhanced photoluminescence, and a piezo response force microscope, we attribute the core/shell-like emissions to strong piezoelectric potential aided by induced polarity at the WSe 2 –Au Schottky interface which results in spatial confinement of the excitons. Our findings present a new approach for manipulating charge confinement and engineering localized emission within atomically thin semiconductor nanobubbles. These insights hold implications for advancing the nano and quantum photonics with low-dimensional semiconductors.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Microwave-Absorbing Foams with Adjustable Absorption Frequency and Structural Coloration

Microwave-absorbing materials with regulatable absorption frequency and optical camouflage hold great significance in intelligent electronic devices and advanced stealth technology. Herein, we present an innovative microwave-absorbing foam that can dynamically tune microwave absorption frequencies via a simple mechanical compression while in parallel enabling optical camouflage over broad spectral ranges by adjusting the structural colors. In this study, the vivid colors spanning different color categories generated from thin-film interference can be precisely regulated by adjusting the thickness of the conformal TiO 2 coatings on Ni/melamine foam. Enhanced interfacial and defect-induced polarizations resulting from the introduction of TiO 2 coating synergistically contribute to the dielectric attenuation performance. Consequently, such a foam exhibits exceptional microwave absorption capabilities, and the absorption frequency can be dynamically tuned from the S band to the Ku band by manipulating its compression ratio. Additionally, simulation calculations validate the adjustable electromagnetic wave loss behavior, offering valuable insights for the development of next-generation intelligent electromagnetic devices across diverse fields.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Strain Effects in SrHfO 3 Films Grown by Hybrid Molecular Beam Epitaxy

Perovskite oxide heterostructures host a large number of interesting phenomena such as ferroelectricity, which are often driven by octahedral distortions in the crystal that may induce polarization. SrHfO 3 (SHO) is a perovskite oxide with a pseudocubic lattice parameter of 4.08 Å that previous density functional theory (DFT) calculations suggest can be stabilized in a ferroelectric P4mm phase when stabilized with sufficient compressive strain. Additionally, it is insulating and possesses a large band gap and a high dielectric constant, making it an ideal candidate for oxide electronic devices. Here, to test the viability of epitaxial strain as a driver of ferroic phase transitions, SHO films were grown by hybrid molecular beam epitaxy (hMBE) with a tetrakis(ethylmethylamino)hafnium(IV) source on GdScO 3 and TbScO 3 substrates. Strained SHO phases were characterized using X-ray diffraction, X-ray absorption spectroscopy, and scanning transmission electron microscopy to determine the space group of the strained films, with the results compared to those of DFT-optimized models of phase stability versus strain. Contrary to past reports, we find that compressively strained SrHfO 3 undergoes octahedral tilt distortions without associated ferroelectric polarization and most likely takes on the I4/mcm phase with the a 0 a 0 c – tilt pattern.

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

Assessment of Blocking Contacts in Suppressing Polarization Effects in CsPbBr 3 Perovskite Detectors

The CsPbBr 3 perovskite has garnered significant attention as a room-temperature semiconductor for hard radiation detection due to straightforward synthesis, scalable crystal growth, low cost, and excellent energy resolution. However, despite these advantages, at ambient temperature, CsPbBr 3 devices may experience performance deterioration and irreversible failure due to “polarization” induced by electromigration of ions to electrical connections on the device. In this study, we tested several contact materials and their optimization deposition techniques to assess the stability of high-performance CsPbBr 3 γ-ray detectors. Metals, with low work functions (Ti, In, Sn, Sb, Pb, Bi, Al, Au, and TiC) and high-work-function (Au or Pt) contacts, were used to form different Schottky junctions using vacuum thermal evaporation, electron-beam evaporation, and sputtering methods. These detectors were tested in intermittent and continuous modes to assess their stability. Among the tested detectors, the Bi/CLB/Pt electrode configuration demonstrated superior stability, operating effectively for 11 months under periodic testing and 16 days under continuous testing. In contrast, other configurations functioned only for a few months under intermittent conditions. Upon incorporating a ~40-nm-thick TiC passivation layer on the anode side (Bi/TiC/CLB/Pt), the CLB device operated continuously for 36 days without degradation. In many cases, the failure mode of the devices was due to the degradation of the anode. Here, the chemical changes in the fresh and deteriorated anodes were characterized using scanning electron microscopy and energydispersive X-ray spectroscopy

CsPbBr3 perovskite↗
DOE OSTI2026

Tunable Electronic Energy Level Alignment and Exciton Diversity in Organic–Inorganic van der Waals Heterostructures

van der Waals stacking of two-dimensional (2D) materials offers a powerful platform for engineering material interfaces with tailored electronic and optical properties. While most van der Waals multilayers have featured inorganic monolayers, incorporating molecular monolayers introduces additional degrees of tunability and functionality. Here, in this study, we investigate hybrid bilayers composed of atomically thin perylene-based molecular crystals interfaced with monolayer transition metal dichalcogenides (TMDs), specifically MoS 2 and WS 2 . Using the ab initio many-body perturbation theory within the GW approximation and the Bethe-Salpeter equation approach, we predict emergent properties beyond those of the isolated constituent systems. Notably, we find substantial renormalization of monolayer molecular crystal band gap due to TMD-induced polarization. Furthermore, by varying the TMD monolayer, we demonstrate tuning of the energy level alignment of the bilayer and subsequent control over a diversity of lowest-energy excitons, which include strongly bound hybrid excitons and long-lived charge-transfer excitons. These findings establish organic-inorganic van der Waals heterostructures as a promising class of materials for tunable optoelectronic devices and quantum excitonic phenomena, expanding the design space for low-dimensional systems.

GW-BSE calculations↗
DOE OSTI2020

Characterizing Physical Properties of Streambed Interface Sediments Using In Situ Complex Electrical Conductivity Measurements

Streambed sediment physical properties such as surface area, are difficult to quantify in situ but exert a high-level control on a wide range of biogeochemical processes and sorption of contaminants. We introduce the use of complex electrical conductivity (CC) methods (also known as spectral-induced polarization (SIP)) that measure both real and imaginary conductivity to noninvasively and efficiently characterize shallow streambed sediments. We explore the method through synthetic modeling, laboratory, and field measurements to demonstrate the sensitivity of imaginary conductivity to sediment surface area, controlled in part by fine-grained iron oxides produced by anoxic groundwater discharge. Laboratory measurements verify expected relationships between CC parameters and sediment properties. Synthetic modeling using a 1D analytical model illustrates the influence of water layer depth and conductivity on the field CC measurements made at the streambed-stream water interface. Specifically, the inverted sediment imaginary conductivity is less impacted by uncertainty in the water layer depth and conductivity relative to the real conductivity and phase shift. Field CC measurements along a landfill-impacted river reveal discrete streambed zones with enhanced bulk surface area generally corresponding to anoxic groundwater discharge zones with high concentrations of fine-grained iron oxide precipitates.

54 ENVIRONMENTAL SCIENCES↗