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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 235 records · Page 13

High-Efficiency Solar-To-Fuel Photoelectrochemistry in Disordered Photonic Glass Electrodes (Final Technical Report)

This project investigated how photonic glass (PG) photoelectrodes—disordered arrangements of dielectric scatterers—can serve as scalable, tunable platforms for light trapping in photoelectrochemical (PEC) solar-to-fuel systems. By leveraging disorder-driven optical phenomena such as multiple scattering resonances and light localization, PG structures offer an alternative to conventional photonic crystals and inverse opals that require high structural precision. The scientific goals were to twofold: (1) develop approaches to predictive models for high performance PG electrodes based on light absorption simulations, and (2) fabricate, characterize, and optimize PG-based photoelectrodes for solar-to-hydrogen and solar-to-fuel photoelectrochemical applications. To overcome the complexity of ensemble optical simulations for disordered materials, the researchers developed a machine-learning-accelerated emulation of all configurations in the design space. With this approach, PG photoelectrodes based on a TiO2 semiconductor were designed to enhance PEC currents of up to one hundred times higher than the equivalent ultra-thin film photoanodes and several times higher than the equivalent photonic crystal. The research also explored integrated systems for electrochemical hydrogen production based on replacing water oxidation with the specific glycerol oxidation electrocatalysis. Overall, the project outlined an approach to a simple-to-fabricate photoelectrode system to drive photoelectrochemical reactions relevant to solar photochemical energy conversion.

14 SOLAR ENERGY↗

Development of Composite Photocatalyst Materials that are Highly Selective for Solar Hydrogen Production and their Evaluation in Z-Scheme Reactor Designs

The key technology gap preventing a vertically stacked dual-bed particle suspension reactor from achieving the DOE MYRD&D ultimate cost target for H 2 production remains the lack of materials in particle form factor that exhibit ≥10% solar-to-H 2 energy conversion (STH) efficiency as a suspension. Therefore, our project goals centered around strategies to increase the STH efficiency by enhancing photophysical properties of perovskite oxide particles including increased visible-light absorption, increased selectivity for electrocatalysis of the H 2 evolution reaction (HER) and the O 2 evolution reaction (OER) through development of ultrathin oxide coatings, correlating composition and structure to function, and improving understanding of multiscale transport and kinetic processes.

08 HYDROGEN↗

Lone Pairs of Carbogenic Center Enable Thermally Activated Delayed Fluorescence from Carbon to Ligand Charge Transfer Excited States

Carbogenic compounds of the type L→C(0)←L, where L represents various ligands such as phosphines or carbenes, and C(0) denotes zerovalent carbon with two orthogonal lone pairs, are widely utilized in organic and coordination chemistry; however, in-depth photophysical and optical properties remain largely unknown. In the following work, we report detailed luminescent properties of one of the most prominent examples of carbogenic compounds, hexaphenylcarbodiphosphorane (CDP). Combined spectroscopic/TD-DFT studies demonstrate that both lone pairs of CDP participate in the observed visible light absorption and emission, which are associated with carbon lone pairs π*(PPh3) carbon to ligand charge transfer states (CLCTs). The CLCT exhibits a considerably decoupled electron-hole pair, resulting in a small S1-T1 gap and thermally assisted delayed fluorescence (TADF). Moreover, two lone pairs teamed up around C(0) provide numerous close-lying σ- and π-CLCT singlet and triplet states, which allow, for organic TADF emitters, extremely fast rates of exergonic intersystem crossing up to 1.27×109 s-1, competitive with some 3d and 4d metal-based TADF luminophores. These results open fresh directions for innovative design of novel luminescent materials for high-end photonic applications, utilizing lone pairs of carbogenic centers as donors of electron density in the excited states.

Mrózek, Ondřej [University of Southern California]↗

Assessing the Potential Impact of River Chemistry on Arctic Coastal Production

The Arctic coastal margin receives a disproportionately large fraction of the global river discharge. The bio-geochemistry of the river water as it empties into the marine environment reflects inputs and processes that occur as the water travels from its headwaters. Climate-induced changes to Arctic vegetation and permafrost melt may impact river chemistry. Understanding the impact of river nutrients on coastal marine production, and how this may change in the future, are important for resource managers and community members who monitor and rely on coastal food resources. Using the Energy Exascale Earth System Model we explore the impact of timing and river nutrient concentrations on primary production in each coastal Arctic region and then assess how this influences secondary production and particle fluxes supporting the benthic food web. Our results indicate that while the concentration of Arctic river nitrogen can have a significant impact on annual average nitrogen and primary production in the coastal Arctic, with production increases of up to 20% in the river influenced interior Seas, the timing of the river nutrient inputs into the marine environment appears less important. Bloom timing and partitioning between small and large phytoplankton were minimally impacted by both river nutrient concentration and timing, suggesting that in general, coastal Arctic ecosystem dynamics will continue to be primarily driven by light availability, rather than nutrients. Under a doubling river nutrient scenario, the percentage increase in the POC flux to the benthos on river influenced Arctic coastal shelves was 2-4 times the percentage increase in primary production, suggesting changes to the river nutrient concentration has the potential to modify the Arctic food web structure and dynamics. Generally, the nutrient-induced changes to primary production were smaller than changes previously simulated in response to ice reduction and temperature increase. However, in the Laptev Sea, the production increase resulting from a doubling of river nutrients exceeded the production increase simulated with an atmospheric warming scenario. Dissolved organic carbon is presently poorly represented in the model so its impact on production is hard to simulate. Applying established relationships between modeled DOC, total DOC, and light absorption we illustrate that DOC could play a very important role in modulating production. Our findings highlight the importance of developing more realistic river nutrient and discharge forcing for Earth System Models such that their impact on the critical Arctic coastal domain can be more adequately resolved.

54 ENVIRONMENTAL SCIENCES↗

Long-Range Transport of Biomass Burning Aerosols from Southern Africa: A Case Study Using Layered Atlantic Smoke Interactions with Clouds Observations

A case study of an incoming biomass burning aerosol plume at Ascension Island is analyzed for the peak of the 2017 fire season using satellites, reanalysis and in situ observations. Measurements from the Atmospheric Radiation Measurement Mobile Facility 1 reveal an abrupt change from relatively clean conditions (~70 parts per billion by volume of carbon monoxide) to a more polluted state (~150 parts per billion by volume of carbon monoxide). Corresponding changes in aerosol size reveal a broadening of size distributions toward larger optical diameters, consistent with the arrival of aged aerosols. Within a 24 h period, black carbon fraction increases ~500% from ~300 ng m e to ~1500 ng m 3 , while light absorption coefficients increase ~300%. Long-range transport of these aerosols is primarily confined between 2 and 5 km above sea level along the northwesterly trade winds. Our results show that the primary driver of increases in aerosol loading over Ascension Island is an intensification of the St. Helena high-pressure system (anticyclone) that leads to a weakening of trade winds and increases westward transport on its northern flank. A better understanding of the complex interactions between air quality, meteorology and long-range aerosol transport is important for future modeling studies focused on aerosol–cloud–radiation interactions over the open ocean and reducing its associated uncertainties.

aerosol size distribution↗

Metasurfaces with Multipolar Resonances and Enhanced Light–Matter Interaction

Metasurfaces, composed of engineered nanoantennas, enable unprecedented control over electromagnetic waves by leveraging multipolar resonances to tailor light–matter interactions. This review explores key physical mechanisms that govern their optical properties, including the role of multipolar resonances in shaping metasurface responses, the emergence of bound states in the continuum (BICs) that support high-quality factor modes, and the Purcell effect, which enhances spontaneous emission rates at the nanoscale. These effects collectively underpin the design of advanced photonic devices with tailored spectral, angular, and polarization-dependent properties. This review discusses recent advances in metasurfaces and applications based on them, highlighting research that employs full-wave numerical simulations, analytical and semi-analytic techniques, multipolar decomposition, nanofabrication, and experimental characterization to explore the interplay of multipolar resonances, bound and quasi-bound states, and enhanced light–matter interactions. A particular focus is given to metasurface-enhanced photodetectors, where structured nanoantennas improve light absorption, spectral selectivity, and quantum efficiency. By integrating metasurfaces with conventional photodetector architectures, it is possible to enhance responsivity, engineer photocarrier generation rates, and even enable functionalities such as polarization-sensitive detection. The interplay between multipolar resonances, BICs, and emission control mechanisms provides a unified framework for designing next-generation optoelectronic devices. This review consolidates recent progress in these areas, emphasizing the potential of metasurface-based approaches for high-performance sensing, imaging, and energy-harvesting applications.

Kerker effect↗

Effects of Plasma on Physical Properties of Water: Nanocrystalline-to-Amorphous Phase Transition and Improving Produce Washing

Washing fresh produce using Plasma-activated water recently became a promising eco-friendly alternative to using chemical additives such as Chlorine. We discuss the produce-washing experiments that illustrate that addition of plasma to washing water is a multi-faced phenomena. Not only it increases the sterilization ability of water by killing pathogens, but it also has improved washibility: the ability to remove pathogens from the cleaning surface. We propose an explanation of these features based on the recently discoveries that many physical and chemical properties of water change their temperature dependence between about 35 and 60 degrees Celsius. In particular, heat conductance, light absorption, and surface tension all change their temperature dependence. These drastic changes were associated with water gradually changing its mesoscopic structure: while at the higher temperatures water is a uniform media (amorphous state), at the temperatures below transition it consists of many nano-to-micro-scale clusters (crystalline state). This transition is similar to the second order phase transition. In the present paper we propose that treating water with non-thermal plasma (adding plasma-created active compounds) can lower the temperature of the transition and thus cause a significant change in such physical quantities as surface tension, viscosity, freezing rate, and wettability and washability.

He, Jinjie↗

Wildfire Smoke Particle Properties and Evolution, from Space-Based Multi-Angle Imaging

Emitted smoke composition is determined by properties of the biomass burning source and ambient ecosystem. However, conditions that mediate the partitioning of black carbon (BC) and brown carbon (BrC) formation, as well as the spatial and temporal factors that drive particle evolution, are not understood adequately for many climate and air-quality related modeling applications. In situ observations provide considerable detail about aerosol microphysical and chemical properties, although sampling is extremely limited. Satellites offer the frequent global coverage that would allow for statistical characterization of emitted and evolved smoke, but generally lack microphysical detail. However, once properly validated, data from the National Aeronautics and Space Administration (NASA) Earth Observing System’s Multi-Angle Imaging Spectroradiometer (MISR) instrument can create at least a partial picture of smoke particle properties and plume evolution. We use in situ data from the Department of Energy’s Biomass Burning Observation Project (BBOP) field campaign to assess the strengths and limitations of smoke particle retrieval results from the MISR Research Aerosol (RA) retrieval algorithm. We then use MISR to characterize wildfire smoke particle properties and to identify the relevant aging factors in several cases, to the extent possible. The RA successfully maps qualitative changes in effective particle size, light absorption, and its spectral dependence, when compared to in situ observations. By observing the entire plume uniformly, the satellite data can be interpreted in terms of smoke plume evolution, including size-selective deposition, new-particle formation, and locations within the plume where BC or BrC dominates.

54 ENVIRONMENTAL SCIENCES↗

Morphological Modulation of TiO 2 Nanotube via Optimal Anodization Condition for Solar Water Oxidation

With the depletion of fossil fuels and the rising global demand for energy, photoelectrochemical (PEC) water splitting presents a promising solution to avert an energy crisis. Titanium dioxide (TiO 2 ), an n -type semiconductor, has gained popularity as a photoanode due to its remarkable PEC properties. Nevertheless, inherent challenges such as a wide band gap (~3.2 eV), charge recombination, and slow oxygen evolution reaction (OER) rates at the surface limit its practical application by constraining light absorption. To overcome these limitations, we have developed TiO 2 nanotubes (NTs) using a facile anodization method. This study examines the impact of anodization growth parameters on solar water oxidation performance. Specifically, TiO 2 NTs with modified anodization time (referred to as TiO 2 -6) showed a 3.5-fold increase in photocurrent density compared to the as-grown TiO 2 NTs. Furthermore, electrochemical analyses, such as electrochemical impedance spectroscopy (EIS), indicated a significant decrease in charge transfer resistance following the adjustment of on-off anodization time. Additionally, the TiO 2 -6 photoanode demonstrated a higher electrochemically active surface area (ECSA) than other samples. Therefore, optimal nanostructuring parameters are crucial for enhancing the PEC properties of TiO 2 NTs. Overall, our findings offer valuable insights for fabricating high-quality TiO 2 NTs photoanodes, contributing to developing efficient PEC systems for sustainable energy production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

pH dependence of brown-carbon optical properties in cloud water

Abstract. Light-absorbing organic species present in aerosols, collectively called brown carbon (BrC), have important but highly uncertain effects on climate. Clouds likely represent a significant medium for secondary BrC production and for bleaching reactions, though the relative importance of the formation and loss processes in clouds is unknown at present. The acidity (or pH) of atmospheric particles and clouds affects the optical properties of BrC and bleaching rates. Given the wide variability of pH in the atmosphere (pH in particles and clouds ranges from −1 to 8), the optical properties of BrC and its bleaching behavior are expected to vary significantly, and the link between pH and BrC is yet another uncertainty in attempts to constrain its climate forcing effects. In this work, we characterize the pH dependence of BrC optical properties – including light absorption at 365 nm (Abs365), the mass absorption coefficient (MAC365), and the absorption Ångström exponent (AAE) – in bulk cloud water sampled from the summit of Whiteface Mountain, NY. In all samples (n=17), Abs365 and MAC365 increased linearly with increasing pH, highlighting the importance of reporting pH in studies of BrC in aqueous media. There was strong variability in the sensitivity of Abs365 to pH, with normalized slopes that ranged from 5.1 % to 17.2 % per pH unit. The normalized slope decreased strongly with increasing cloud water [K+], suggesting that the non-biomass-burning BrC has optical properties that are more sensitive to pH than BrC associated with biomass burning. AAE also showed a distinct pH dependence as it was relatively flat between pH 1.5–5 and then decreased significantly above pH 5. The cloud water composition was used to inform thermodynamic predictions of aerosol pH upwind and/or downwind of Whiteface Mountain and the subsequent changes in BrC optical properties. Overall, these results show that, in addition to secondary BrC production, photobleaching, and the altitudinal distribution, the climate forcing of BrC is quite strongly affected by its pH-dependent absorption.

54 ENVIRONMENTAL SCIENCES↗

Steady-state mixing state of black carbon aerosols from a particle-resolved model

Abstract. Black carbon (BC) exerts a notable warming effect due to its strong light absorption, largely influenced by its “mixing state”. However, due to computational constraints, the mixing state is challenging to accurately represent in large-scale models. In this study, we employ a particle-resolved model to simulate the evolution of BC mixing state based on field observation. Our result shows that aerosol compositions, coating thickness (CT) distribution, and optical properties of BC aerosols all exhibit a tendency toward a steady state with a characteristic timescale of less than 1 d, considerably shorter than the BC atmospheric lifetime. The rapid attainment of a steady state suggests that it is reasonable to disregard this pre-steady-state period and instead concentrate on the average properties of BC across extensive spatial and temporal scales. The distribution of CT follows an exponential linear distribution and can be characterized by a single slope parameter k. This distribution is independent of the BC core's distribution. In the model simulation, the mean CT, equivalent to the 1/k, is 62 nm, which is consistent with the statistical results indicating a mean CT of 63 nm. Utilizing the slope parameter k, which effectively characterizes the CT distribution under the steady-state simplifying assumption, the BC absorption enhancement closely corresponds to the results obtained via the particle-resolved method. This study simplifies the BC mixing state description and yields a precise evaluation of the BC optical properties, which has the potential utility for modeling efforts in the refinement of the assessment of BC's radiative effects.

Zhang, Zhouyang↗

Resonances of electromagnetically induced transparency and absorption in a light field of elliptically polarised waves

Electromagnetically induced transparency (EIT) and electromagnetically induced absorption (EIA) resonances excited by a strong two-frequency field are considered for various values of the total angular momenta of the ground (F{sub g}) and excited (F{sub e}) states at a degenerated optical closed transition F{sub g} → F{sub e}. The light field is formed by two co-propagating waves with arbitrary elliptical polarisations. The process of spontaneous transfer of anisotropy from the excited state to the ground state is shown to determine the formation of the EIA resonance at the transition F{sub g} = F → F{sub e} = F + 1. The results obtained generalise the classification of transitions into ‘bright’ (F{sub g} = F → F{sub e} = F + 1) and ‘dark’ (F{sub g} = F → F{sub e} = F and F{sub g} = F → F{sub e} = F – 1) transitions with respect to the direction of a subnatural resonance. (paper)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Nonuniform Absorption and Scattered Light in Direct-Drive Implosions Driven by Polarization Smoothing

Laser-direct-drive symmetric implosions on OMEGA illuminate a target with 60 laser beams and are designed to produce spherical implosions. Each beam is smoothed using orthogonal polarizations obtained by passing through distributed polarization rotators (DPR’s). Observations of the scattered light from OMEGA implosions do not show the expected symmetry and have much larger variation than standard predictions. For the first time, we have quantified the scattered-light nonuniformity from individual beams and identified the DPR’s as the source of the enhanced nonuniformity. An instrument was invented that isolated and measured the variation in the intensity and polarization of the light scattered from each OMEGA beam. The asymmetric intensity and polarization measurements are explained when the on-target offsets between the two orthogonal polarizations produced by the DPR’s are modeled using a 3-D cross-beam energy transfer (CBET) code that tracks the polarizations of each beam. The time-integrated nonuniformity in laser absorption and scattered light due to CBET and the DPR polarization offsets during high-performance OMEGA implosions is predicted to be significant and dominated by low spherical harmonic mode numbers. Further, the nonuniformity is predicted to be greatly reduced by replacing the DPR’s with new optics that create smaller offsets.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

X-ray Transient Absorption Spectroscopy Reveals Light Responses of Cobalt Centers in Co-Pi OER Catalytical Devices under Electrochemical Biases

Here, operando X-ray transient absorption measurements were successfully performed for the first time on the Co-Pi catalyst, confirming a photoreduction in Co-Pi under 400 nm blue light excitation. This provides key insights into spectroelectrochemical mechanistic studies of relevant oxygen evolution catalysts and guidance for photocatalysis using these metal oxides. Limiting blue-light exposure of these films should allow for better self-healing and higher turnover in photon-driven water oxidation. These results also demonstrate the importance of performing XTA measurements under operating conditions. Further development of this technique will allow for analysis of complex materials such as tethered molecules on surfaces and in complex device architectures to yield beneficial data for applied materials.

electrochemical cells↗

Scattered-light uniformity imager for diagnosing laser absorption asymmetries on OMEGA

Light scattered from a target is the most-direct measurement for diagnosing laser absorption in a direct-drive implosion. Observations from OMEGA implosions show much larger scattered-light asymmetries than predictions. A new instrument has been developed to absolutely measure the scattered-light intensity and nonuniformity for the purpose of diagnosing the asymmetry. The scattered-light uniformity imager (SLUI) diagnostic records the variation in scattered-light intensity over a transmission diffuser using a charge-coupled device (CCD)/lens assembly. At the standard operating position, an 11.3° (f/2.5) cone of light is collected. A stray light baffle, debris shield, and antireflection absorbing filter are also incorporated into the diagnostic payload inserted into the target chamber. The imaging parts of the diagnostic (light baffle, vacuum window, filters, lens, and CCD camera) are located outside the target chamber. Five SLUIs have been built and deployed in OMEGA’s ten-inch manipulator diagnostic ports, covering almost 5% of the emission surface, enabling an absolute scattered-light measurement should be within a few percent of the global average. Each SLUI system is calibrated offline, providing absolute scattered-light intensity measurements. Based on the measured point spread function, each diffuser plate image contains over 20 000 independent scattered-light absolute-intensity measurements of the variation over the collection cone. SLUI provides a platform to study scattered light and absorption asymmetries, and their possible sources.

47 OTHER INSTRUMENTATION↗

Assigning Optical Absorption Transitions with Light-Induced Crystal Structures: Case Study of a Single-Crystal Nanooptomechanical Transducer

UV/vis absorption spectroscopy affords indirect structural information about the photochemistry and photophysics of molecules by inferring types of electronic transitions from spectral features. Direct structural information would become available, though, if light-induced crystal structures could be mapped against changes in optical absorption spectra as a photochemical process evolves. We present a series of light-induced crystal structures that track real-time changes in solid-state optical absorption spectra of a crystalline nanooptomechanical transducer, while the transduction process unfolds within its crystal lattice at 100 K. Results afford a combined structural and spectral mapping of its solid-state optical absorption, from which the operational mechanism of nanooptomechanical transduction is revealed. Metal-to-ligand and metal-centered charge-transfer bands are assigned to optical absorption peaks directly from their 3-D light-induced crystal structures. This approach could be used to characterize many solid-state optoelectronic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Functional Nanomaterials with Tunable Plasmonic and Emittive Properties (Final Project Report)

The goal of the project is on understanding the principles of non-covalent assembling of tunable functional materials with various nanocrystals in order to control light-matter interactions by changing localized interfacial refractive properties, coupling parameters, or the ionic environment of surrounding media. We explore novel soft functional matrices with controlled physical properties via the application of light, mechanical stresses, ionic environment, and electrical potential. These functional matrices is used in conjunction with novel anisotropic inorganic nanostructures such as noble metal/metal alloy anisotropic nanostructures with complex optical properties (multiple LSPR modes) and quantum dots with light-emissive or absorbing properties in a broad spectral range from the UV to the NIR for efficient solar energy absorption and light conversion.

36 MATERIALS SCIENCE↗

Absorption Correction for Reliable Pair Distribution Functions from Low Energy X-ray Sources

This paper explores the development and testing of a simple absorption correction model for processing powder X-ray diffraction data from Debye−Scherrer geometry laboratory X-ray experiments. This may be used as a preprocessing step before using PDFGETX3 to obtain reliable pair distribution functions (PDFs). Various experimental and theoretical methods for estimating μR were explored, and the most appropriate μR values for correction were identified for different capillary diameters and X-ray beam sizes. We identify operational ranges of μR where a reasonable signal-to-noise ratio is possible after correction. A user-friendly software package, DIFFPY.LABPDFPROC, is presented that can help estimate μR and perform absorption corrections with a rapid calculation for efficient processing.

Absorption↗