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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Terahertz time-domain spectroscopy imaging of pancreatic ductal adenocarcinoma tissues

Pancreatic ductal adenocarcinoma (PDAC) ranks among the malignancies with the highest fatality and morbidity rates. This is predominantly attributable to an absence of understanding the intricate and diverse microenvironment of the tumor. We use terahertz time-domain spectroscopy (THz-TDS) imaging in transmission geometry to probe ex-vivo the heterogenous microenvironment of the genetically modified murine PDAC tissue that closely resembles the PDAC heterogeneity in human malignancy. We introduced a maximum a-posteriori probability estimation algorithm to objectively the tumor’s heterogenous microenvironment using the average values of refractive index and absorption coefficient within the useable terahertz bandwidth as imaging markers. Furthermore, direct comparison of stained histopathologic images and the refractive index and the absorption coefficient high-resolution, two dimensional maps of the same PDAC samples confirms the high potential of the THz-TDS method for tumor tissue characterization.

absorption↗
DOE OSTI2025

Understanding the optoelectronic properties of doped 2D organic-inorganic halide perovskite quantum wells: towards efficient quantum well IR photodetectors

Metal halide perovskite (MHP) multiple quantum wells which consist of multilayers of alternate organic and inorganic layers exhibit large exciton binding energies due to the dielectric confinement between the inorganic and organic layers. These naturally formed multiple quantum wells have strong spin-orbit coupling (SOC) due to the presence of heavy elements in their crystal structures. Although the fundamental properties of 2D MHPs are far from being entirely understood, it is widely accepted that their band edge absorption coefficient results from strong exciton interactions. However, studies demonstrating how different exciton interactions and doping effects influence electronic traps and disorder on the band edge absorption coefficient of 2D MHPs have not been demonstrated. Understanding these interactions in MHPs will allow us to access low energy optical transitions for the fabrication of solution processable short-to-mid-wavelength IR photodetectors (1 – 8 μm). Moreover, upon doping, it is possible to move the Fermi energy into the conduction band (CB) to favorably promote the transport of charges in a working device. Herein, we study the development of 2D MHPs having strong SOC, high carrier mobility, and tunable quantum well structures. Our studies shed light on the design and modulation of fundamental physical phenomena by carefully elucidating the role of dopants (n-type and p-type), exciton heterogeneity, orientation, structure, and bias stress effects on the performance of MHPs as potential IR photodetectors.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The Gaussian nature of the band-edge of ZnO microcrystalline thin films

A straightforward analytical approach based on the derivative of the absorption coefficient is presented, which enables probing the nature of the band edge (BE) of ZnO microcrystalline films. The study was conducted via transmission experiments at temperatures of 77–532 K and repeated for samples annealed up to 1073 K. It was found that the derivative of the natural log of the BE absorption coefficient resulted in a Gaussian function. The Gaussian linewidth is used in the electron–phonon (e–p) interaction model to characterize the defect-state of the films. The BE of the as-grown film was found to exhibit no thermal dependence and no e–p coupling, indicative of a disordered crystal. Upon annealing and improvement of the film quality, the thermal phonons became more activated, but only above room temperature with a phonon energy of ~75 meV, while up to room temperature, the impact of phonons on the BE is insignificant. A disorder–order transition was determined to take place at an annealing temperature of ~673 K. X-ray diffraction concurs with these results. The study indicates that the prevalent defects are of structural nature due to the inherent granular morphology of the films. This defect was found to dominate the behavior of the BE even at the elevated temperature regime rather than thermal phonons.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Light Absorption by Brown Carbon over the South-East Atlantic Ocean

Biomass burning emissions often contain brown carbon (BrC), which represents a large family of light-absorbing organics that is chemically complex and therefore difficult to estimate their absorption of incoming solar radiation, resulting in large uncertainties in the estimation of the global direct radiative effect of aerosols. Here we investigate the contribution of BrC to the total light absorption of biomass burning aerosols over the South-East Atlantic Ocean with different optical models utilizing a suite of airborne measurements from the ORACLES 2018 campaign by introducing an effective refractive index of black carbon (BC), m eBC = n eBC +ik eBC , that accounts for all possible absorbing components at 660 nm wavelength to facilitate the attribution of absorption at shorter wavelengths. Most values of the imaginary part of the refractive index, k eBC , were larger than those commonly used for BC from biomass burning emissions, suggesting contributions from absorbers beyond BC at 660 nm. The TEM-EDX single particle analysis further suggests that these long-wavelength absorbers might include iron oxides, as iron is found to be present only when large values of k eBC are derived. Using this effective BC refractive index, we find that the contribution of BrC to the total absorption at 470 nm (R BrC,470 ) ranges from ~5–15 %, with the organic aerosol mass absorption coefficient (MAC OA,470 ) at this wavelength ranging from 0.25 ± 0.34 m 2 g -1 to 0.43 ± 0.12 m 2 g -1 . The core-shell model yielded much higher estimates of MAC OA,470 and R BrC,470 than homogeneous mixing models, underscoring the importance of model treatment. Another key finding was that estimates of the BrC contribution at 470 nm from the commonly used AAE (absorption Ångström exponent) attribution method (< 5 %) are much lower than the BrC contribution estimates (R BrC,470 ) using our new methodology that accounts for contributions from both BrC and non-carbonaceous, long-wavelength absorbers, such as magnetite. Thus, it is recommended that application of any optical properties-based attribution method use absorption coefficients at the longest possible wavelength to minimize the influence of BrC at the long wavelength and to account for potential contributions from other absorbing materials.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

AlSb as a material for high index contrast nanophotonics

High contrast materials, i.e., materials with a high refractive index and low optical loss, are of wide interest for nanophotonics and metasurface designs at optical and near infrared wavelengths. We explore aluminum antimonide (AlSb) as a high contrast nanophotonic material, using the design of high contrast gratings (HCGs) for low loss dielectric mirrors as an example. The high index of refraction and low absorption coefficient of AlSb in the visible wavelength range enable designs of HCGs that can be effectively optimized to form mirrors with 93.5% reflectivity at red visible wavelengths. We detail a co-sputtering synthesis method for AlSb films, and achieve our target high index of refraction of 3.5 for 635 nm light. We also find that the high sensitivity of AlSb oxidation requires specific handling procedures in developing deposition processes to yield a near zero absorption coefficient.

Bauser, Haley C.↗
DOE OSTI2021

A novel energy balance approach for a verifiable and accurate solution of radiation extinction in purely absorbing particle clouds

Here we consider the problem of radiation transport through purely absorbing particle clouds. The gold-standard solution of particle-resolved Monte Carlo ray-tracing method to this problem is computationally expensive and therefore solving the radiation transport equation (specifically, the Beer-Bouguer law (BB-law)) on a Eulerian mesh is often preferred. While the absorption coefficient in the real problem is infinite, the BB-law approximates it to be a finite number in the form of number density through a set of assumptions. For particle clouds that do not obey these assumptions, the BB-law predicts an incorrect exponential decay. Also, when the number density is computed using the nearest-neighbor approach, the BB-law solution diverges when the Eulerian mesh size becomes closer to or smaller than the particle size. This numerical divergence is due to the homogenization error. Although the filtering strategy for number density minimizes the homogenization error, it still converges to an incorrect exponential decay for particle clouds that break the BB-law constraints and the cost of the filtering is equivalent to that of the gold-standard solution. In this study, we develop a novel, highly accurate, verifiable and cost-effective solution to the radiation transport equation on a Eulerian domain using an energy balance approach where we derive an expression for the absorption coefficient as a function of particle and Eulerian mesh sizes. We apply our new method to Poisson and turbulent particle clouds that violate all the BB-law constraints and show that the solution is converging upon the mesh refinement, and eventually, we recover the same gold-standard solution for a much cheaper computational cost.

42 ENGINEERING↗
DOE OSTI2020

A review of Sb 2 Se 3 photovoltaic absorber materials and thin-film solar cells

Energy generated from environmentally friendly, cost-effective solar cells is a key aspect for developing a clean renewable-energy economy. Non-toxic and Earth-abundant materials with high absorption coefficient (>10 5 cm -1 ) and optimal bandgap (1-1.5 eV) have received great attention as photovoltaic (PV) absorber layers during the last few decades. Among them, antimony selenide (Sb 2 Se 3 ) has been a promising PV absorber, with steadily increasing power-conversion efficiency (PCE) compared to other emerging compounds. Very recent studies showed that high-quality ZnO:Al/ZnO/CdS/TiO 2 /Sb 2 Se 3 /MoSe 2 /Mo devices with PCE of 9.2% can be fabricated using cost-effective novel compounds. Considering these recent advances, this article provides an overview of the material properties of Sb2Se3 thin films and the recent progress made with Sb 2 Se 3 -based solar cells. Furthermore, analysis of Sb 2 Se 3 -based thin-film solar cells has also shown that the devices have relatively good light management due to their suitable bandgap and high absorption coefficient, whereas carrier management, i.e. collection efficiency of photo-generated carriers, needs significant improvement. Overall, this study provides background knowledge on material properties and device performance and suggests main research directions to overcome the limiting factors of solar cell performance.

14 SOLAR ENERGY↗
DOE OSTI2023

Assessing the link between aerosol mixing state, structure and composition and their optical properties: Ascension Island as a testbed for the South‐East Atlantic aerosol regimes

Forest and savanna fires are a major source of pollution over the globe. Such fire events emit to the atmosphere a considerable amount of “fluffy” fractal black looking particles that are often referred to as black carbon (BC) or soot aerosols. In fact, BC particles (aerosols) emitted from savanna and agricultural fires over the African continent play an important role in the region’s and the global climate. These fires occur each year between July and October, which is referred to as the biomass burning (BB) season and are considered among the globe's largest man-made emission sources of BC particles. However, during these fire events, not only BC particles are emitted, but also other types of particles and gases that can interact with each other to create new particles, generating a slew of particles often generally referred to as BB aerosols. Although the majority of the fire emissions occur inland in the sub-Saharan part of Africa, their effect reaches far beyond the continent due to the prevailing easterly winds, which transport those aerosols over the South-East Atlantic (SEA) ocean, off the west-coast of Africa. The reason why these particles are so important to the regional and global climate is that they absorb sunlight radiation, which overall warms the climate. However, the magnitude of this warming effect is highly uncertain and depends upon a multitude of aspects. Our overarching goal for this project was to better understand the changes in the aerosol properties as they transport from fire sources downstream toward the ocean and how this can eventually affect the earth's radiative budget in terms of warming or cooling. Following the above, our work here was focused on the investigation of the African BB aerosol plumes mixing state (mixing of BB aerosols and other aerosol types), composition and size distribution as they transport from the African continent towards the SEA ocean, and their link with some of the commonly measurable bulk optical properties such as mass absorption coefficient (MAC) and single scattering albedo (SSA). We utilized three field missions that were conducted over the SEA ocean between 2016 and 2018. Specifically, we used (1) ground-based measurements from the DOE ARM Mobile Facility (AMF1), which was deployed at Ascension Island (ASI) for the LASIC (Layered Atlantic Smoke Interactions with Clouds) campaign between June 2016 and October 2017, (2) airborne measurements from the UK CLARIFY (Clouds and Aerosol Radiative impacts and Forcing) campaign during Aug-Sep-2017, and (3) airborne measurements from the ORACLES (Observations of Aerosols above Clouds and their interactions) campaign during Aug-2017, and Sep-Oct-2018. The three campaigns cover a relatively large region, from the western African coast on the east towards Ascension Island in the middle of the SEA to the west. We used the data gathered by these campaigns to find how BB properties and composition change from near emission sources (the ORACLES campaign flights) downstream (the CLARIFY flights and the ground based LASIC measurements). We used particle trajectory following methodologies to connect the measurements from the different campaigns, which allowed us to follow a certain aerosol plume (airmass) from near-source towards Ascension Island. We found out that atmospheric aging processes governed by the UV light from the sun (photochemistry) and cloud processes (aqueous chemistry) govern the changes seen in the particle composition during the transport were more dominant in dictating aerosol composition than specific emission composition or source types. We assessed how aerosol optical properties change during the BB season and what are the main drivers of this change. We found that the enhanced ratio of BC to CO is well correlated with single scattering albedo (SSA) and mass absorption coefficient (MACBC), providing a simple way to estimate the aerosol optical characteristics in the south-eastern Atlantic Ocean. From the analysis of the location of BB, the primary source fuel, the water content in the fuel, combined with the mean cloud cover and precipitation in the transport areas of the BB plume, we conclude that the increase in BC/CO from June to August is likely to be caused by burning becoming more flaming (hot fires), and the decrease in BC/CO in September and October may be caused by smoldering (colder) fires. We found that aerosol hygroscopicity increases with decreasing altitude below 2km, and that enhanced BB hygroscopicity at lower altitudes is mainly due to a lower organic aerosol (OA) fraction, increased sulfate fraction, and greater hygroscopicity parameter of OA at lower altitudes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Foil backlighter development at the OMEGA laser facility for extended x-ray absorption fine structure experiments

Extended x-ray absorption fine structure (EXAFS) measurements require a bright and continuous x-ray source and a detection system with high spectral resolution to capture the modulations of the absorption coefficient above the material absorption edge. When performing EXAFS measurements under laser-driven dynamic compression, it is hence critical to optimize the backlighter x-ray emission. In this study, a series of experiments has been conducted at the OMEGA laser facility to characterize titanium (Z = 22), iron (Z = 26), germanium (Z = 32), molybdenum (Z = 42), silver (Z = 47), and gold (Z = 79) foil backlighters irradiated with 3 kJ–12 kJ of laser energy. The spectra have been recorded using a dual crystal spectrometer (DCS), a two-channel transmission spectrometer covering 11 keV–45 keV and 19 keV–90 keV energy bands. The DCS has been calibrated so that the spectral intensities can be compared between different campaigns.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

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↗
DOE OSTI2022

Continuous Light Absorption Photometer (CLAP) Instrument Handbook

Reliable measurements of aerosol light absorption are crucial for quantifying the radiative forcing of climate. As a consequence, light absorption measurements are recommended for all stations in the Global Atmosphere Watch network, which is coordinated by the World Meteorological Organization. Aerosol light absorption is often dominated by soot-like particles produced by the incomplete combustion of carbonaceous fuels, commonly termed "black carbon", and optical methods are the primary way that equivalent black carbon concentrations are derived. Two basic approaches are used for determining the aerosol light absorption coefficient: in situ methods where the absorption is measured while the particles are suspended in air, and filter-based methods where the particles are deposited on a filter for real-time optical analysis. In situ methods are inherently more accurate because the physical state of the particles can be changed by the act of filtration. Unfortunately, currently available instruments for in situ measurements are more expensive and difficult to operate than filter-based methods, making them better suited for use in intensive field campaigns or as laboratory reference instruments. Filter-based instruments, because of their lower cost and simpler operation, have been the preferred choice for long-term measurements of aerosol light absorption in monitoring networks.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Iterative Bragg peak removal on X-ray absorption spectra with automatic intensity correction

This study introduces a novel iterative Bragg peak removal with automatic intensity correction (IBR-AIC) methodology for X-ray absorption spectroscopy (XAS), specifically addressing the challenge of Bragg peak interference in the analysis of crystalline materials. The approach integrates experimental adjustments and sophisticated post-processing, including an iterative algorithm for robust calculation of the scaling factor of the absorption coefficients and efficient elimination of the Bragg peaks, a common obstacle in accurately interpreting XAS data, particularly in crystalline samples. The method was thoroughly evaluated on dilute catalysts and thin films, with fluorescence mode and large-angle rotation. The results underscore the technique's effectiveness, adaptability and substantial potential in improving the precision of XAS data analysis. While demonstrating significant promise, the method does have limitations related to signal-to-noise ratio sensitivity and the necessity for meticulous angle selection during experimentation. Overall, IBR-AIC represents a significant advancement in XAS, offering a pragmatic solution to Bragg peak contamination challenges, thereby expanding the applications of XAS in understanding complex materials under diverse experimental conditions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Beyond green with synthetic chlorophylls – Connecting structural features with spectral properties

The distinct features of chlorophylls in photosynthesis have led to the formation of numerous derivatives for applications encompassing solar energy conversion, molecular photonics, photodynamic therapy, and molecular imaging. Synthetic chlorins created de novo and bearing a geminal dimethyl group in the reduced ring have proved invaluable for fundamental studies. Four decades of research have led to accumulation of tabulated spectra for > 400 such synthetic chlorins with distinct structural frameworks (17-oxochlorins, 13 1 -oxophorbines, chlorinimides) and substituents (alkyl, aryl, ethynyl, phenylethynyl, acetyl, formyl) located at specific (meso, β) positions. In this review, spectral traces (324 absorption, 247 fluorescence) are assembled along with photophysical data including the molar absorption coefficient (ε), fluorescence quantum yield (Φ f ) and singlet excited-state lifetime (τ s ). The review uses the accumulated spectral data derived from chlorins all containing a uniform molecular scaffold to (1) highlight the effects of molecular structure on spectral features, and (2) identify trends including how ε, Φ f and τ s vary with wavelength and other features. Use of a common geminal-dimethyl-substituted chlorin scaffold – beginning with no substituents, to one substituent at designated sites, and to 2 or more substituents – provides a systematic Aufbau approach for understanding the absorption spectra of chlorins on a path to and beyond the native chlorophylls. Finally, the review provides insights concerning the rational design of potent analogues of Nature’s preeminent red-region absorbers for potential utilization in diverse applications and is aimed at multiple audiences: those interested in spectral properties, tetrapyrrole photophysics, and the molecular design of new chromophores.

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

Comprehensive review of photophysical parameters (ε, Φ f , τ s ) of tetraphenylporphyrin (H 2 TPP) and zinc tetraphenylporphyrin (ZnTPP) – Critical benchmark molecules in photochemistry and photosynthesis

Tetraphenylporphyrin (H 2 TPP) and zinc tetraphenylporphyrin (ZnTPP) are widely used benchmark molecules in diverse photochemical studies given facile synthetic access, rich visible-region spectra, and broad structural analogy to chlorophylls. Yet the literature values for each key photophysical parameter – the molar absorption coefficient (ε), fluorescence quantum yield (Φ f ), and also singlet excited-state lifetime (τ S ) – vary over an astonishing range. Here, a comprehensive literature review (~1940–September 2020) encompassing 871 publications is reported for these essential parameters. Each parameter is determined by measurement with distinct instrumentation and suffers idiosyncratic sources of error. The best values for H 2 TPP are ε = 460,000 cm -1 ·M -1 , Φ f = 0.090, and τ S = 12.8 ns in Ar- purged toluene (Φf = 0.070, τS = 9.9 ns in toluene in air); the best values for ZnTPP are ε = 560,000 cm -1 ·M -1 , Φf = 0.030, and τ S = 2.1 ns in Ar-purged toluene (Φ f = 0.029, τ S = 2.0 ns in toluene in air). The choice of values for such parameters has far-reaching consequences in photochemistry ranging from fluorescence (or Förster) resonance energy transfer (FRET) processes to assessments of molecular brightness.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

EPCAPE-PT-LANL Measurements: Photoacoustic Extinctometer

Coastal cities offer a unique environment for studying aerosol-cloud interactions and the effects of urban emissions on cloud properties. As part of the Eastern Pacific Cloud Aerosol Precipitation Experiment (EPCAPE), the Partitioning Thrust by Los Alamos National Laboratory (EPCAPE-PT-LANL) was conducted. Our campaign focused on measuring the optical and chemical properties of aerosols and their interactions within marine stratocumulus clouds in La Jolla, California. EPCAPE-PT-LANL enhances the primary goals of EPCAPE through innovative observations of vapor-phase transitions between aerosols and cloud droplets, the impact of black carbon on aerosol-cloud dynamics, and the effects of cloud processing on aerosol optical properties. Instrument: Photoacoustic Extinctiometer at 870 nm (Droplet Measurement Technology) Header: - AbsorptionNoise_870nm[1/Mm]: Noise level associated with the absorption measurement at 870 nm, expressed in inverse megameters (Mm⁻¹). - Absorption_870nm[1/Mm]: Absorption coefficient of aerosols measured at 870 nm, expressed in inverse megameters (Mm⁻¹). - Extinction_870nm[1/Mm]: Extinction coefficient of aerosols measured at 870 nm, expressing the sum of scattering and absorption by aerosols, in inverse megameters (Mm⁻¹). - Scattering_870nm[1/Mm]: Scattering coefficient of aerosols measured at 870 nm, expressed in inverse megameters (Mm⁻¹). - BackgroundAbsorption_870nm[1/Mm]: Background absorption measurement at 870 nm, used to correct the primary absorption data, expressed in inverse megameters (Mm⁻¹). - BackgroundScattering_870nm[1/Mm]: Background scattering measurement at 870 nm, used to correct the primary scattering data, expressed in inverse megameters (Mm⁻¹). - Temperature[C]: The ambient temperature at the time of the measurement, expressed in degrees Celsius. - RelativeHumidity[%]: The relative humidity at the time of the measurement, expressed as a percentage. - CVI_Flag[bool]: A boolean flag indicating whether the Counterflow Virtual Impactor (CVI) was active (true) or inactive (false) during the measurement

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Halogenated Dibenzo[ f , h ]quinoxaline Units Constructed 2D‐Conjugated Guest Acceptors for 19% Efficiency Organic Solar Cells

Abstract Halogenation of Y‐series small‐molecule acceptors (Y‐SMAs) is identified as an effective strategy to optimize photoelectric properties for achieving improved power‐conversion‐efficiencies (PCEs) in binary organic solar cells (OSCs). However, the effect of different halogenation in the 2D‐structured large π‐fused core of guest Y‐SMAs on ternary OSCs has not yet been systematically studied. Herein, four 2D‐conjugated Y‐SMAs (X‐QTP‐4F, including halogen‐free H‐QTP‐4F, chlorinated Cl‐QTP‐4F, brominated Br‐QTP‐4F, and iodinated I‐QTP‐4F) by attaching different halogens into 2D‐conjugation extended dibenzo[ f , h ]quinoxaline core are developed. Among these X‐QTP‐4F, Cl‐QTP‐4F has a higher absorption coefficient, optimized molecular crystallinity and packing, suitable cascade energy levels, and complementary absorption with PM6:L8‐BO host. Moreover, among ternary PM6:L8‐BO:X‐QTP‐4F blends, PM6:L8‐BO:Cl‐QTP‐4F obtains a more uniform and size‐suitable fibrillary network morphology, improved molecular crystallinity and packing, as well as optimized vertical phase distribution, thus boosting charge generation, transport, extraction, and suppressing energy loss of OSCs. Consequently, the PM6:L8‐BO:Cl‐QTP‐4F‐based OSCs achieve a 19.0% efficiency, which is among the state‐of‐the‐art OSCs based on 2D‐conjugated Y‐SMAs and superior to these devices based on PM6:L8‐BO host (17.70%) and with guests of H‐QTP‐4F (18.23%), Br‐QTP‐4F (18.39%), and I‐QTP‐4F (17.62%). The work indicates that halogenation in 2D‐structured dibenzo[ f , h ]quinoxaline core of Y‐SMAs guests is a promising strategy to gain efficient ternary OSCs.

14 SOLAR ENERGY↗
DOE OSTI2025

ZnGa 2 Te 4 thin-film absorbers for photoelectrochemical CO 2 reduction

Photoelectrochemical (PEC) carbon dioxide reduction reaction (CO 2 RR) has been considered as a promising route to convert and store solar energy into chemical fuels. It is crucial to find suitable photoelectrode materials that are photo-catalytically active and exhibit excellent photochemical stability. One of the promising contenders is ZnTe with the ∼2.26 eV band gap and prolonged stability under CO 2 RR PEC conditions. Herein, a new telluride based thin-film ZnGa 2 Te 4 photocathode with lower band gap and stronger visible light absorption compared to ZnTe is synthesized and characterized using a combinatorial sputtering technique. A two-step annealing method with excess Te supply is implemented to synthesize nearly stoichiometric ZnGa 2 Te 4 absorber material with a zincblende-derived tetragonal crystal structure confirmed by synchrotron X-ray and electron diffraction. Theoretical calculations show that ZnGa 2 Te 4 has suitable direct bandgap (∼1.86 eV) and high absorption coefficient ∼10 5 cm −1 , in agreement with experimentally prepared films. Transient absorption spectroscopy reveals the biexponential decay dynamics, with time constants, τ 1 ∼ 0.04, and τ 2 ∼ 0.65 μs in microsecond time scales and provides the optical transition pathways for this semiconductor thin film. PEC measurements show that the ZnGa 2 Te 4 photocurrent densities are comparable to the widely investigated ZnTe photocathodes or even surpass it under simulated sunlight condition. ZnGa 2 Te 4 samples demonstrate promising photoelectrochemical stability, maintaining consistent performance under illumination. The inclusion of diaryliodonium additive substantially increases its CO 2 RR selectivity to ∼60%. These findings open a new avenue for the synthesis of telluride-based thin-film photocathodes for further exploration and will motivate future research to integrate this potential photocathode material into PEC devices.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Laser absorption measurements of electron density in nanosecond-scale atmospheric pressure pulsed plasmas

We report on time-resolved measurements of electron number density by continuous-wave laser absorption in a low-energy nanosecond-scale laser-produced spark in atmospheric pressure air. Laser absorption is a result of free-free and bound-free electron excitation, with the absorption coefficient modeled and evaluated using estimates of the time-variation in electron temperature and probe laser absorption path length. Plasma electron number densities are determined to be as high as n e = 7 x 10 19 cm -3 , and decay to 1/e of their peak values over a period of about 50 ns following plasma formation using a 20 mJ, 10 ns pulse width frequency-doubled Nd:YAG laser. The measured plasma densities at later times are shown to be in reasonable agreement with Stark broadening measurements of the 3s[ 5 S o ]-3p[ 5 P] electronic transition in atomic oxygen at 777 nm. This study provides support for the use of such continuous wave laser absorption for time resolved electron density measurements in low energy spark discharges in air, provided that an estimate of the electron temperature and laser path length can be made by accompanying diagnostics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗