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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Vanadium (II) Sulfate for the Reductive Leaching of Chalcopyrite: Replacing Smelting with Electrolysis for Copper Production

The demand for copper is expected to outpace supply in the coming decades due in part to the emergence of wind and solar technologies, which require about five times as much copper as traditional energy sources. This work introduces a potentially transformative hydrometallurgical process to extract copper from chalcopyrite, and thereby sustain a high rate of copper production throughout the 21 st century. Chalcopyrite is reacted with vanadium (II) sulfate for the first time to enable the rapid, clean, and complete recovery of copper. Reactions between 39 g/L copper concentrate, 1 M vanadium (II) sulfate, and various concentrations of sulfuric acid yielded a final product of solid copper sulfate, which was characterized by X-ray diffraction (XRD) and scanning electron microscopy-energy dispersive X-ray spectroscopy (SEM-EDS) analysis. The solid products were leached in a subsequent step to demonstrate copper yields ranging from 95–99%. The vanadium (II) ion may be regenerated by an electrolysis unit that leverages advances in vanadium flow battery technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Photo-DAC: Light-Driven Ambient-Temperature Direct Air Capture by a Photobase

Direct air capture (DAC) may reduce atmospheric CO 2 concentrations to preindustrial levels, yet the high energies and temperatures involved in current DAC technologies hinder large-scale deployment. In the case of aqueous-based CO 2 absorbents, a large energetic penalty is associated with heating and boiling off water, as required for thermally driven solvent regeneration. This could be avoided via photochemically driven pH swings involving photoacids or photobases, and harnessing abundant and renewable solar energy, though efficient solvent regeneration and recycling in a realistic multicycle DAC process remains challenging. Herein, we report a photochemically driven DAC process (photo-DAC) in which atmospheric CO 2 capture by an aqueous glycylglycine (GlyGly) solution is enabled through a pH swing by a pyridine-substituted diiminoguanidine (PyDIG) photobase. Upon irradiation with UV light, the PyDIG photobase undergoes photoisomerization from the E,E to the Z,Z isomer, corresponding to a pK a increase of 2.8 units that activates GlyGly for DAC through deprotonation. After the GlyGly/PyDIG solvent is saturated with atmospheric carbon dioxide, leaving it in the dark under ambient conditions leads to the isomerization of PyDIG from the Z,Z back to the E,E isomer, which is accompanied by a pH drop and CO 2 release. To demonstrate the recyclability of the GlyGly/PyDIG solvent, we have completed six consecutive DAC cycles, with a measured average cyclic capacity in the range of 0.21–0.26 mol CO 2 per mol of GlyGly/PyDIG. These results open the prospect for energy-efficient DAC cycles completed entirely at ambient conditions, thereby avoiding the significant energy penalties associated with heating and boiling aqueous solvents.

Einkauf, Jeffrey D. [Oak Ridge National Laboratory↗
DOE OSTI2026

Design of a Molten Salt Flow Cell for Combined Absorbance and Laser-Induced Breakdown Spectroscopy for Online Measurements

A novel flow cell allowing for multiple optical spectroscopy measurements on flowing molten salts was designed, and demonstrative calibrations of impurities in aqueous samples were performed. Online compositional measurements of molten salts are of high interest to monitor the state of relevant solar and nuclear systems. Here, the Spectroscopic Configuration for Optical Real-Time Characterization of High-Temperature (SCORCH) fluids cell was designed to meet this need by providing optical access to a high-temperature molten salt sample stream without physical contact between the sample and window materials. Laser-induced breakdown spectroscopy (LIBS) was utilized to quantify Li, Cr, Fe, Ni, Sr, and Pr at concentrations ranging nominally from 0 to 315 mmol L −1 . Laser power, frequency, and plasma position were optimized to mitigate challenges associated with sample splashing. Univariate calibration models were built with R 2 > 0.98, percent root mean square error of cross-validation (%RMSECV) as low as 2.7%, and limits of quantification (LOQs) down to 4.1 mmol L −1 . Simultaneously, absorbance calibrations were developed for the applicable analytes (Cr, Ni, and Pr) using Beer’s law with a pathlength of 4.41 ± 0.10 mm. These models provide excellent quantification performance with R 2 > 0.999, %RMSECV as low as 0.6%, and LODs down to 0.08 mmol L −1 . Although these calibrations were performed for each spectroscopic technique separately, the two methods may be combined in the future through multivariate modeling and sensor fusion to provide more robust models with the benefits of both techniques (e.g., absorbance: oxidation state concentrations, LIBS: elemental concentration). Additionally, optimized spectrometers may be deployed to enhance sensitivity.

absorbance spectroscopy↗
DOE OSTI2022

A hybrid inorganic–biological artificial photosynthesis system for energy-efficient food production

Artificial photosynthesis systems are proposed as an efficient alternative route to capture CO 2 to produce additional food for growing global demand. Here a two-step CO 2 electrolyser system was developed to produce a highly concentrated acetate stream with a 57% carbon selectivity (CO 2 to acetate), allowing its direct use for the heterotrophic cultivation of yeast, mushroom-producing fungus and a photosynthetic green alga, in the dark without inputs from biological photosynthesis. An evaluation of nine crop plants found that carbon from exogenously supplied acetate incorporates into biomass through major metabolic pathways. Coupling this approach to existing photovoltaic systems could increase solar-to-food energy conversion efficiency by about fourfold over biological photosynthesis, reducing the solar footprint required. This technology allows for a reimagination of how food can be produced in controlled environments.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Intrinsic doping limitations in inorganic lead halide perovskites

Inorganic halide perovskites (HP's) of the CsPbX 3 (X = I, Br, Cl) type have reached prominence in photovoltaic solar cell efficiencies, leading to the expectation that they are a new class of semiconductors relative to the traditional ones. Peculiarly, they have shown an asymmetry in their ability to be doped by holes vs. electrons. Indeed, both structural defect-induced doping as well as extrinsic impurity-induced doping strangely often result in HP's in a unipolar doping (dominantly p-type) with low free carriers’ concentration. This raises the question whether such doping limitations presents just a temporary setback due to insufficient optimization of the doping process, or perhaps this represents an intrinsic, physically-mandated bottleneck. Here we study three fundamental Design Principles (DP's) for ideal doping, applying them via density functional doping theory to these HP's, thus identifying the violated DP that explains the doping limitations and asymmetry in these HP's. Here, the target DP are: (i) requires that the thermodynamic transition level between different charge states induced by the dopants must ideally be energetically shallow both for donors (n-type) or acceptors (p-type); DP-(ii) requires that the ‘Fermi level pinning energies’ for electrons E (n) pin and holes E (p) pin (being the limiting value of the Fermi level before a structural defect that compensate the doping forms spontaneously) should ideally be located inside the conduction band for n-type doping and inside the valence band for p-type doping. DP-(iii) requires that the doping-induced shift in equilibrium Fermi energy ΔE (n) F towards the conduction band for n-type doping (shift of ΔE (p) F towards the valence band, for p-type doping) to be sufficiently large. We find that, even though in HP's based on Br and Cl there are numerous shallow level dopants that satisfy DP-(i), in contrast DP-(ii) is satisfied only for holes and DP-(iii) fails for both holes and electrons, being the ultimate bottleneck for the n-type doping in Iodide HP's. This suggests an intrinsic mechanism for doping limitations in this class of semiconductors in terms of recognized physical mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Air temperature, Utqiagvik (Barrow), Alaska, July 15-17, 2022

Air temperature measured at 15 minute intervals using a HOBO 64K Pendant UA-001-64 housed in a solar radiation shield. Data were collected 15-27 July 2022, on the Barrow Environmental Observatory (BEO), Utqiagvik, Alaska. The data package files are in .csv format, and include a data file and metadata file. These data were collected in support of stomatal response gas exchange measurements collected during this time period. See related data packages for leaf gas exchange data, leaf trait data (leaf mass per area, leaf nitrogen concentration), and phenocamera images collected at the same time and location. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Non-Equilibrium Doping of Poly-Si:Ga/SiOx Passivating Contacts Solar Cells

In this contribution, we show that Ga-hyperdoped poly-Si/SiOx contacts are realized by pulsed laser annealing and post-hydrogenation. The motivation behind this work is to improve the inferior performance of boron-doped poly- Si/SiOx contacts when compared to the phosphorus-doped contacts. Here we used Ga as a novel p-type dopant to replace B, as B is known to accumulate at the interface between the oxide and the crystalline silicon and cause recombination. Due to a high diffusivity of Ga in oxide and a much higher segregation coefficient (Si:SiOx), Ga is shown to be immune to the oxide pileup phenomenon. However, Ga has a low solid solubility limit in Si (5x10^19 cm-3), which is not enough to form a low resistivity contact. To overcome this problem, we explored pulsed laser annealing via excimer laser by varying the laser energy densities and pulses. The passivation and electrical properties are studied systematically using photoluminescence (PL), secondary ion mass spectrometry (SIMS), and Van der Pauw-Hall measurements. We show an active Ga doping concentration above 1x10^20 cm^-3, which is above the solid solubility limit of Ga in Si. Good passivation quality is demonstrated with the highest implied Voc (iVoc) of 721 mV on single side polished samples. Furthermore, a low diode contact resistivity of ~22 m..omega.. cm^2 is obtained using Ti/Ag contacts, with minimal metal-to-semiconductor contact resistivity of 0.9 m..omega.. cm^2.

non-equilibrium doping↗
DOE OSTI2025

Comprehensive Evaluation of Agrivoltaics Research: Breadth, Depth, and Insights for Future Research

Agrivoltaics integrates agricultural production with solar energy generation to address challenges related to land use, food security, and renewable energy development. This study provides the most comprehensive evaluation to date of global agrivoltaic research, aiming to classify the literature, identify strengths and gaps, and guide future work. We systematically screened over 3000 English-language publications through 2023 for relevant agrivoltaic publications. A total of 670 studies were categorized in the InSPIRE Data Portal across five agrivoltaic activities and multiple hierarchical themes, including physical, biological, technological, social, and crosscutting domains. We found that research was concentrated on crop production, microclimate dynamics, and PV performance, with gaps in areas like human health, wildlife, policy, and standardized methodologies. Although the U.S. emphasizes animal grazing and habitat-based systems in practice, most U.S.-based studies focused disproportionately on crop production. The analysis revealed uneven geographic and topical representation and highlighted a lack of integrated, interdisciplinary approaches. This study concludes that while agrivoltaic research has grown rapidly, more coordinated efforts could support standardized data collection, address overlooked ecological and social impacts, and align research focus with real-world system implementation, ultimately improving the scalability and successful deployment of agrivoltaic systems.

14 SOLAR ENERGY↗
DOE OSTI2020

Role of electrolyte composition on the acid stability of mixed-metal oxygen evolution catalysts

Acid stability in catalysts that promote the oxygen evolution reaction (OER) may be achieved through either the introduction of electrolyte-modulated self-healing processes, or the fixation of OER active sites within stable, conductive oxide matricies. By varying the nature of the electrolyte, pH, buffer concentration, and ionic strength, the contributions of these two effects may be deconvoluted. In addition, we find that the nature of the buffer is capable of engendering OER with exceptional acid stability at moderate overpotentials.

14 SOLAR ENERGY↗
DOE OSTI2021

Novel Poly-Si:Ga/SiOx Passivating Contacts through Non-Equilibrium Doping

Poly-Si/SiOx passivating contacts are one of the key enablers for high-efficiency, low-cost c-Si solar cells. In recent years, record devices have reached efficiencies of 26% in the laboratory and 25% in the industry. The current cell structure utilizing a tunneling oxide passivating contact structure with a back phosphorus-doped poly- Si/SiOx passivating contact and a front boron diffused emitter suffers from large emitter recombination. Thus, replacing the front B diffused emitter with a p-type passivating contact is a route to overcome this deficiency. This gives rise to front/back poly-Si based passivating contacts. To address the low passivation performance of the B-doped poly-Si passivating contacts, we replace B with Ga as a novel p-type dopant to avoid dopant accumulation in the tunneling oxide, which is known to lead to large degradation loss in passivation quality. Here, we introduce a non-equilibrium method via pulsed laser melting to thermally melt and recrystallize the poly-Si and redistribute the dopants, achieving doping concentrations above the solid solubility limit (~4E19 cm-3). We demonstrate a good passivation quality with an iVoc of 721 mV with an active Ga doping concentration in poly-Si >1020 cm-3. Furthermore, we show a low contact resistivity of 33.2 +/- 9.3 mO cm2 using a diode model calculation. Finally, cross-section scanning spreading resistance microscopy was performed to determine the resistance profile across the non-homogeneously doped poly-Si layer.

c-Si↗
DOE OSTI2020

Using machine learning to derive cloud condensation nuclei number concentrations from commonly available measurements

Cloud condensation nuclei (CCN) number concentrations are an important aspect of aerosol–cloud interactions and the subsequent climate effects; however, their measurements are very limited. We use a machine learning tool, random decision forests, to develop a random forest regression model (RFRM) to derive CCN at 0.4 % supersaturation ([CCN0.4]) from commonly available measurements. The RFRM is trained on the long-term simulations in a global size-resolved particle microphysics model. Using atmospheric state and composition variables as predictors, through associations of their variabilities, the RFRM is able to learn the underlying dependence of [CCN0.4] on these predictors, which are as follows: eight fractions of PM 2.5 (NH 4 , SO 4 , NO 3, secondary organic aerosol (SOA), black carbon (BC), primary organic carbon (POC), dust, and salt), seven gaseous species (NO x , NH 3 , O 3 , SO 2 , OH, isoprene, and monoterpene), and four meteorological variables (temperature (T), relative humidity (RH), precipitation, and solar radiation). The RFRM is highly robust: it has a median mean fractional bias (MFB) of 4.4 % with ≈96.33 % of the derived [CCN0.4] within a good agreement range of -60% 2.5 speciation (NH 4 , SO 4 , NO 3 , and organic carbon (OC)), NO x , O 3 , SO 2 , T, and RH, as well as [CCN0.4] are available. We modify, optimize, and retrain the developed RFRM to make predictions from 19 to 9 of these available predictors. This retrained RFRM (RFRM-ShortVars) shows a reduction in performance due to the unavailability and sparsity of measurements (predictors); it captures the [CCN0.4] variability and magnitude at SGP with ≈67.02 % of the derived values in the good agreement range. This work shows the potential of using the more commonly available measurements of PM 2.5 speciation to alleviate the sparsity of CCN number concentrations' measurements.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Multi-Electron Transfer at H-Terminated p-Si Electrolyte Interfaces: Large Photovoltages under Inversion Conditions

Here, photovoltages for hydrogen terminated p-Si(111) in an acetonitrile electrolyte were quantified with methyl viologen [1,1'-(CH 3 ) 2 -4,4'-bipyridinium](PF 6 ) 2 , abbreviated MV 2+ , and [Ru(bpy) 3 ](PF 6 ) 2 , where bpy is 2,2'-bipyridine, that respectively undergo two and three one-electron transfer reductions. The reduction potentials, E°, of the two MV 2+ reductions occurred at energies within the forbidden bandgap, while the three [Ru(bpy) 3 ] 2+ reductions occurred within the continuum of conduction band states. Bandgap illumination resulted in reduction that were more positive than that measured with a degenerately doped n + -Si demonstrative of a photovoltage, Vph, that increased in the order: MV 2+/+ (260 mV) < MV +/0 (400 mV) < Ru 2+/+ (530 mV) ~ Ru +/0 (540 mV) ~ Ru 0/– (550 mV). Pulsed 532 nm excitation generated electron-hole pairs whose dynamics were nearly constant under depletion conditions and increased markedly as the potential was raised or lowered. A long wavelength absorption feature assigned to conduction band electrons provided additional evidence for the presence of an inversion layer. Collectively, the data reveal that the most optimal photovoltage, as well at the longest electron-hole pair lifetime and the highest surface electron concentration, occur when E° lies energetically within the unfilled conduction band states where an inversion layer is present. The bell-shaped dependence for electron-hole pair recombination with the surface potential was predicted by the time-honored SRH model providing a clear indication that this interface provides access to all four bias conditions, i.e., accumulation, flat band, depletion, and inversion. The implications of these findings for photocatalysis applications and solar energy conversion are discussed.

14 SOLAR ENERGY↗
DOE OSTI2023

Imaging local luminescence variations in CdSe 0.1 Te 0.9 thin films grown by the colossal grain growth process

Clear visualization and understanding of luminescence properties of grain interiors and grain boundaries in polycrystalline thin-film photovoltaic materials are crucial to achieving high-performance solar cells. Luminescence-based measurements, for example, reveal sub-bandgap energetic disorder or impurity-related radiative transitions in these materials, and when performed in the absolute scale, they can show the extent of voltage-limiting non-radiative recombination. Here we use a hyperspectral imaging technique to investigate inter- and intra-grain photoluminescence variations in polycrystalline CdSe 0.1 Te 0.9 films made by the colossal grain growth process. We observe that grain boundaries show higher luminescence than grain interiors for all energies below the bandgap energy. Multiple distinct sub-bandgap defect transitions are detected and determined to be related to donor-acceptor pair impurities. A comparison of the excitation-intensity-dependent photoluminescence at the grain boundaries with grain interiors suggests that carrier concentration is higher at grain boundaries. This finding is supported by photoemission electron microscopy imaging of the films, showing approximately 70 meV upward energy shift in the band structure at the grain boundaries. Finally, we investigate a dramatic thermal quenching behavior related to the donor-acceptor pairs luminescence over a temperature range and use a rate-equation model to attribute it to the sudden redirection of the radiative recombination channels to non-radiative channels with increasing temperature.

14 SOLAR ENERGY↗
DOE OSTI2021

Super Flexible Transparent Conducting Oxide-Free Organic–Inorganic Hybrid Perovskite Solar Cells with 19.01% Efficiency (Active Area=1 cm 2 )

Highly efficient organic-inorganic hybrid perovskite solar cells (OIHP-SCs) are often fabricated on a transparent conducting oxide (TCO) substrate such as indium tin oxide (ITO). However, the presence of TCOs is disadvantageous to the development of flexible OIHP-SCs due to the brittle nature of ITO which is easily breakable during bending. Herein, a flexible TCO-free OIHP-SC is demonstrated by using lithium bis(trifluoromethane)sulfonimide (Li-TFSI) as a codopant for the single-layer graphene transparent conducting electrode and poly(triarylamine) hole-transporting material (HTM) on a flexible polydimethylsiloxane substrate. The optical and electrical properties of the Li-TFSI-doped graphene substrate are measured by controlling the doping amount and the best conditions for charge extraction are established at a doping concentration of 20 mm Li-TFSI, thus optimizing the device photovoltaic performance. As a result, a highest power conversion efficiency of 19.01% is demonstrated by the flexible TCO-free OIHP-SC devices with an active area of 1 cm 2 . In addition, the flexible TCO-free OIHP-SCs exhibit good bending stability after 5000 bending cycles at radii of 6, 4, and 2 mm and excellent light soaking stability under 1 Sun light intensity over 1000 h as opposed to the poor stability when using poly(3,4-ethylenedioxythiophene) polystyrene sulfonate as the HTM.

14 SOLAR ENERGY↗
DOE OSTI2022

Revealing the Transient Formation Dynamics and Optoelectronic Properties of 2D Ruddlesden–Popper Phases on 3D Perovskites

Using in situ photoluminescence measurements during the spin-coating and annealing steps, this study probes the formation of 2D layers on 3D triple cation perovskite films comparing phenylethylammonium and 2-thiophenemethylammonium iodide bulky cations. This study elucidates the formation mechanisms of the surface layers for both cases and reveals two regimes during 2D layer formation: a kinetic-driven and a thermodynamic-driven process. These driving forces result in different compositions of the 2D/3D interface for each treatment, namely, different ratios of pure 2D (n = 1) and quasi-2D (n > 1) structures. Further, this study shows that a higher ratio of quasi-2D phases is more beneficial for device performance, as pure-2D layers may hamper current extraction. Due to a more evenly distributed formation energy profile among 2D and quasi-2D phases, highly concentrated 2-thiophenemethylammonium iodide appears to be more suited for effective surface passivation than its phenylethylammonium analog.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Stratospheric aerosol injection can weaken the carbon dioxide greenhouse effect

Abstract Stratospheric aerosol injection is a proposed method for offsetting greenhouse gas-induced warming by introducing scattering aerosols into the lower stratosphere to reflect sunlight. Here we explore a potentially more efficient alternative: weakening the Earth’s greenhouse effect by deploying absorptive aerosols in the upper stratosphere (~10 hPa). These aerosols warm the carbon dioxide emission level—where outgoing longwave radiation is most sensitive to temperature—thereby enhancing top-of-atmosphere infrared emission without altering atmospheric carbon dioxide concentrations. Idealized climate model simulations indicate that this approach can reduce global temperatures an order of magnitude more efficiently per unit aerosol mass than conventional scattering-based interventions. Although based on simplified model experiments lacking interactive aerosol processes and operational constraints, our results identify a distinct physical mechanism for climate intervention, arguing for further research into the impacts—especially potential unintended side effects—of injecting absorptive aerosols into the upper stratosphere as an alternative solar radiation management strategy.

Environmental Sciences & Ecology↗
DOE OSTI2020

Electroluminescence Characterization of Recombination in Back Junction Silicon Heterojunction Test Structures: Role of the Inversion Layer

Electroluminescence (EL) characterization technique is used to quantify recombination properties in back junction silicon (Si) heterojunction (HJ) solar cell test structures with interdigitated back contact (IBC) emitters and metal contacts. These test structures are three terminal devices that allow the selective biasing and injection of minority carriers into spatially isolated emitter strips having different widths. This allows the study of minority carriers' current transport, flow, and recombination in these regions, which can, then, be applied to full IBC cells. EL is used to verify that emission is proportional to the minority carriers' concentration in the corresponding regions of the device, thus providing information relevant to minority carriers' collection when compared with laser beam induced current technique in considerably less time and with a higher spatial resolution. Current transport through the inversion layer that occurs due to the band bending at the n crystalline Si and p amorphous Si interface is discussed relying on the distance that minority carriers travel in different configurations and on their diffusion length. Laser defect spots (LDS) were, then, introduced in the emitter regions to analyze the spatial profile of minority carriers as they recombine at the LDS due to their high surface recombination velocity. Ideality factors in different configurations are spatially mapped from EL before and after introducing LDS and are used to show the effect of the inversion layer on the different recombination mechanisms. Current transport through the inversion layer is studied at different biasing conditions and correlated with current transport after LDS.

42 ENGINEERING↗