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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Distant-Atom Mutation for Better Earth-Abundant Light Absorbers: A Case Study of Cu 2 BaSnSe 4

Thin-film Cu(In,Ga)Se 2 and CdTe solar cells have demonstrated high power conversion efficiencies, but they cannot provide a sustainable clean energy pathway because of the scarcity of Te and In. In this paper, we propose a distant-atom concept to mutate In by a group II element (Ba) and a group IV element (Sn) that are at rather different locations on the periodic table. Because of the very different electronic properties between the cations, the resultant earth-abundant orthorhombic Cu 2 BaSnSe 4 absorber does not have the detrimental cation–cation disorder issue seen in the earth-abundant kesterite Cu 2 ZnSnSe 4 absorber. We anticipate that Cu 2 BaSnSe 4 solar cells should not have large open-circuit voltage deficits as seen in CuZnSnSe 4 solar cells. Density functional theory calculation of the electronic and defect properties of Cu 2 BaSnSe 4 confirms these expectations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Comparative study of control strategies for hybrid GSHP system in the cooling dominated climate

The ground source heat pump (GSHP) system is one of the most energy efficient HVAC technologies in the current market. However, the heat imbalance may degrade the ability of the ground loop heat exchanger (GLHX) to absorb or reject heat. The hybrid GSHP system, which combines a geothermal well field with a supplemental boiler or cooling tower, can balance the loads imposed on the ground loop heat exchangers to minimize its size while retaining superior energy efficiency. This paper presents a recent simulation-based study with an intention to compare multiple common control strategies used in hybrid GSHP systems, including fixed setpoint, outside air reset, load reset, and wetbulb reset. A small office in Oklahoma City conditioned by a hybrid GSHP system was simulated with the latest version of eQUEST 3.7 [1]. In the end, the simulation results reveal that the hybrid GSHP system has the excellent capability to meet the cooling and heating setpoints during the occupied hours, balance thermal loads on the ground loop, as well as improve the thermal comfort of the occupants with the reduced size well field.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2014

Recovery act: development of design and simulation tool for hybrid geothermal heat pump system

The ground source heat pump (GSHP) system is one of the most energy efficient HVAC technologies in the current market. However, the heat imbalance may degrade the ability of the ground loop heat exchanger (GLHX) to absorb or reject heat. The hybrid GSHP system, which combines a geothermal well field with a supplemental boiler or cooling tower, can balance the loads imposed on the ground loop heat exchangers to minimize its size while retaining superior energy efficiency. This paper presents a recent simulation-based study with an intention to compare multiple common control strategies used in hybrid GSHP systems, including fixed setpoint, outside air reset, load reset, and wetbulb reset. A small office in Oklahoma City conditioned by a hybrid GSHP system was simulated with the latest version of eQUEST 3.7[1]. The simulation results reveal that the hybrid GSHP system has the excellent capability to meet the cooling and heating setpoints during the occupied hours, balance thermal loads on the ground loop, as well as improve the thermal comfort of the occupants with the undersized well field.

15 GEOTHERMAL ENERGY↗
DOE OSTI2019

Interfacial engineering of gallium indium phosphide photoelectrodes for hydrogen evolution with precious metal and non-precious metal based catalysts

Gallium indium phosphide (GaInP 2 ) is a semiconductor with promising optical and electronic properties to serve as the large bandgap, top junction in a dual absorber tandem solar water splitting device. Poor intrinsic catalytic ability and surface corrosion in aqueous electrolyte remain key obstacles. Significant progress has been made developing thin-film protection layers and active catalysts for photoelectrochemical devices, but combining these into a catalytic protection layer that can provide long-term stability without sacrificing performance has proven difficult due, in large part, to challenges in developing active and stable interfaces. In this work, we demonstrate that a nanoscale molybdenum disulfide (MoS 2 ) film functions both as an effective protection layer and excellent hydrogen evolution catalyst for GaInP 2 photocathodes, with only a ~10% loss in initial light-limited current density after 100 h, and a photocurrent onset potential better than that of the same state-of-the-art device with a platinum-ruthenium catalyst. Using transient photoreflectance spectroscopy, we probed the carrier dynamics of these photocathodes and show that the MoS 2 coated device exhibits improved electron transfer at the surface interface compared to the PtRu catalyzed device. These MoS 2 protected devices are among the most active and stable single-absorber photocathodes for solar water splitting to date and offer a promising pathway towards generating hydrogen with high efficiency and significant longevity.

08 HYDROGEN↗
DOE OSTI2023

Data and scripts associated with a manuscript investigating impacts of solid phase extraction on freshwater organic matter optical signatures and mass spectrometry pairing

This data package is associated with the publication “Investigating the impacts of solid phase extraction on dissolved organic matter optical signatures and the pairing with high-resolution mass spectrometry data in a freshwater system” submitted to “Limnology and Oceanography: Methods.” This data is an extension of the River Corridor and Watershed Biogeochemistry SFA’s Spatial Study 2021 (https://doi.org/10.15485/1898914). Other associated data and field metadata can be found at the link provided. The goal of this manuscript is to assess the impact of solid phase extraction (SPE) on the ability to pair ultra-high resolution mass spectrometry data collected from SPE extracts with optical properties collected on ambient stream samples. Forty-seven samples collected from within the Yakima River Basin, Washington were analyzed dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC), absorbance, and fluorescence. Samples were subsequently concentrated with SPE and reanalyzed for each measurement. The extraction efficiency for the DOC and common optical indices were calculated. In addition, SPE samples were subject to ultra-high resolution mass spectrometry and compared with the ambient and SPE generated optical data. Finally, in addition to this cross-platform inter-comparison, we further performed and intra-comparison among the high-resolution mass spectrometry data to determine the impact of sample preparation on the interpretability of results. Here, the SPE samples were prepared at 40 milligrams per liter (mg/L) based on the known DOC extraction efficiency of the samples (ranging from ~30 to ~75%) compared to the common practice of assuming the DOC extraction efficiency of freshwater samples at 60%. This data package folder consists of one main data folder with one subfolder (Data_Input). The main data folder contains (1) readme; (2) data dictionary (dd); (3) file-level metadata (flmd); (4) final data summary output from processing script; and (5) the processing script. The R-markdown processing script (SPE_Manuscript_Rmarkdown_Data_Package.rmd) contains all code needed to reproduce manuscript statistics and figures (with the exception of that stated below). The Data_Input folder has two subfolders: (1) FTICR and (2) Optics. Additionally, the Data_Input folder contains dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC) data (SPS_NPOC_Summary.csv) and relevant supporting Solid Phase Extraction Volume information (SPS_SPE_Volumes.csv). Methods information for the optical and FTICR data is embedded in the header rows of SPS_EEMs_Methods.csv and SPS_FTICR_Methods.csv, respectively. In addition, the data dictionary (SPS_SPE_dd.csv), file level metadata (SPS_SPE_flmd.csv), and methods codes (SPS_SPE_Methods_codes.csv) are provided. The FTICR subfolder contains all raw FTICR data as well as instructions for processing. In addition, post processed FTICR molecular information (Processed_FTICRMS_Mol.csv) and sample data (Processed_FTICRMS_Data.csv) is provided that can be directly read into R with the associated R-markdown file. The Optics subfolder contains all Absorbance and Fluorescence Spectra. Fluorescence spectra have been blank corrected, inner filter corrected, and undergone scatter removal. In addition, this folder contains Matlab code used to make a portion of Figure 1 within the manuscript, derive various spectral parameters used within the manuscript, and used for parallel factor analysis (PARAFAC) modeling. Spectral indices (SPS_SpectralIndices.csv) and PARAFAC outputs (SPS_PARAFAC_Model_Loadings.csv and SPS_PARAFAC_Sample_Scores.csv) are directly read into the associated R-markdown file. We acknowledge the Yakama Nation as owners and caretakers of the lands where we collected some of these data. We thank the Confederated Tribes and Bands of the Yakama Nation Tribal Council and Yakama Nation Fisheries for working with us to facilitate sample collection and optimization of data usage according to their values and worldview.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRSDate not supplied

Parallel Plate Capacitor Aluminum KIDs for Future Far-Infrared Space-Based Observatories

Future space-based far-infrared astrophysical observatories will require exquisitely sensitive detectors consistent with the low optical backgrounds. The PRobe far-Infrared Mission for Astrophysics (PRIMA) will deploy arrays of thousands of superconducting kinetic inductance detectors (KIDs) sensitive to radiation between 25 and 265 μm. Here, we present laboratory characterization of prototype, 25 – 80 μm wavelength, low-volume, aluminum KIDs designed for the low-background environment expected with PRIMA. A compact parallel plate capacitor is used to minimize the detector footprint and suppress TLS noise. A novel resonant absorber is designed to enhance response in the band of interest. We present noise and optical efficiency measurements of these detectors taken with a low background cryostat and a cryogenic blackbody. A microlens-hybridized KID array is found to be photon noise limited down to about 50 aW with a limiting detector NEP of about 6.5×10 −19 W/Hz 1/2 . A fit to an NEP model shows that our optical system is well characterized and understood down to 50 aW. We discuss future plans for low-volume aluminum KID array development as well as the testbeds used for these measurements.

Far-Infrared↗
DOE OSTI2026

Effect of polymer structure and material properties on mechanochemical reaction environments for polymer recycling

Plastic waste accumulation necessitates innovative recycling approaches to achieve sustainability goals. Mechanochemical depolymerization offers a solvent-free, energy-efficient route to convert polymers into valuable monomers. In addition to their chemical properties, the way that polymers absorb kinetic energy is a key parameter of any mechanochemical process. This perspective explores the principles underpinning mechanochemical recycling, emphasizing how deformation and localized transient heating mediate energy transfer between impacts and localized excitations. Key factors such as polymer crystallinity, molecular weight, viscoelasticity, and thermal effects are analyzed to elucidate their role in energy transfer mechanisms during ball milling. This work establishes a foundational framework for the design and optimization of mechanochemical recycling by connecting polymer response to mechanical energy with the intention to improve depolymerization efficiency. Future research opportunities are outlined to advance the integration of polymer science and mechanochemistry for scalable, sustainable plastic upcycling.

ball mill↗
DOE OSTI2016

Photovoltaic Properties of Selenized CuGa/In Films with Varied Compositions

Thin CuGa/In films with varied compositions were deposited by co-evaporation and then selenized in situ with evaporated selenium. The selenized Cu(In, Ga)Se2 absorbers were used to fabricate 390 solar cells. Cu/(Ga+In) and Ga/(Ga+In) (Cu/III and Ga/III) were independently varied, and photovoltaic performance was optimal at Cu/III of 77-92% for all Ga/III compositions studied (Ga/III ~ 30, 50, and 70%). The best absorbers at each Ga/III composition were characterized with time-resolved photoluminescence, scanning electron microscopy, and secondary ion mass spectrometry, and devices were studied with temperature-dependent current density-voltage, light and electrical biased quantum efficiency, and capacitance-voltage. The best cells with Ga/III ~ 30, 50, and 70% had efficiencies of 14.5, 14.4, and 12.2% and maximum power temperature coefficients of -0.496, -0.452, and -0.413%/degrees C, respectively. This resulted in the Ga/III ~ 50% champion having the highest efficiency at temperatures greater than 40 degrees C, making it the optimal composition for practical purposes. This optimum is understood as a result of the absorber's band gap grading- where minimum band gap dominates short-circuit current density, maximum space charge region band gap dominates open-circuit voltage, and average absorber band gap dominates maximum power temperature coefficient.

14 SOLAR ENERGY↗
DOE OSTI2014

Magnified views of the ultrafast outflow of the z = 1.51 active galactic nucleus HS 0810+2554

We present results from an observation of the gravitationally lensed z = 1.51 narrow absorption line (NAL) active galactic nucleus (AGN) HS 0810+2554 performed with the Chandra X-Ray Observatory. The factor of ∼100 lensing magnification of HS 0810+2554 makes this source exceptionally bright. Absorption lines are detected at rest-frame energies of ∼7.7 keV and ∼11.0 keV at ≳97% significance. By interpreting these lines to arise from highly ionized iron the implied outflow velocities of the X-ray absorbing gas corresponding to these lines are 0.13c and 0.41c, respectively. The presence of these relativistic outflows and the absence of any significant low-energy X-ray absorption suggest that a shielding gas is not required for the generation of the relativistic X-ray absorbing winds in HS 0810+2554. UV spectroscopic observations with VLT/UVES indicate that the UV absorbing material is outflowing at v {sub UV} ∼0.065c. Our analysis indicates that the fraction of the total bolometric energy released by HS 0810+2554 into the intergalactic medium (IGM) in the form of kinetic energy is ε{sub k} = 1.0{sub −0.6}{sup +0.8}. An efficiency of greater than unity implies that magnetic driving is likely a significant contributor to the acceleration of this X-ray absorbing wind. We also estimate the mass-outflow rate of the strongest absorption component to be M-dot {sub abs} = 1.1{sub −0.7}{sup +0.9} M {sub ☉} yr{sup –1}. Assuming that the energetic outflow detected in the NAL AGN HS 0810+2554 is a common property of most AGN it would suggest that the X-ray absorbing wind may have a larger opening angle than previously thought. This has important consequences for estimating the feedback contribution of X-ray absorbing winds to the surrounding IGM.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Performance degradation due to anodic failure mechanisms in lithium-ion batteries

Here, we report a mechano-chemical model for anodic degradation during fast-charging of nickel-manganese-cobalt (NMC)/graphite (C) cell due to SEI growth, lithium plating/stripping, dead lithium storage, and film fracture of composite SEI and plated lithium film. Degradation of the battery is analyzed for a range of charging rates from 1 to 6 C-rates, and the influence of plating mechanisms – lithium plating and dead lithium deposition and recovery during stripping – on the film resistance of the anode are accounted for in the model. Dynamic evolution of the interfacial properties is modeled using rule-of-mixture approach. Model predictions of plating associated stress fields are used to compute critical energy release rate for film cracking. The results indicate an increased tendency of fracture for thinner SEI film with lithium plating at higher charging rates. The process of reforming the cracked film absorbs a significant portion of the electrode current thereby reducing the cell capacity and plating efficiency. The mechano-chemical model provides an extensive analytical framework for understanding the synergistic coupling of anodic degradation mechanisms, prognosticating conditions of SEI failure, and evaluating the capacity fade and efficiency of lithium-ion battery.

25 ENERGY STORAGE↗
DOE OSTI2021

Enabling bifacial thin film devices by developing a back surface field using Cu x AlO y

Bifacial solar cells have the potential to increase the energy yield per unit area over traditional monofacial devices without significant added cost, driving $/kWh costs lower and accelerating the adoption of solar photovoltaics. However, the performance of bifacial thin film solar cells significantly lags that achieved by crystalline silicon cells. Here we incorporate wide bandgap Cu x AlO y as a back buffer layer for CdTe devices and achieve a backside illuminated device with high current density and high fill factor. Moreover, these values remain nearly constant even as the absorber layer thickness changes, indicating that a fully-depleted device is not required for efficient charge collection. We show that this response is indicative of a back surface field, albeit with a persistent high back surface recombination velocity. By managing electron reflection, we achieved a backside illumination conversion efficiency of 7.1% and bifaciality of 0.55 for a 3.3 µm CdTe device and 8.0% and 0.62 for a 2 µm device. Future improvements can be made by identifying and incorporating a passivation material that reduces the back surface recombination velocity.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Hysteresis Index: A Figure without Merit for Quantifying Hysteresis in Perovskite Solar Cells

Not long after the breakthrough publications on lead halide perovskite-based solar cells, researchers noticed something peculiar about these devices: the current-voltage scans, the most common technique to determine a solar cell's efficiency, yielded different results depending on the scan direction. In the very first swathe of publications, researchers neglected discussing this observation, opting to simply publish the scan that yielded the higher efficiency. However, this was untenable as this scan-direction dependence clearly indicated that the absorber system was undergoing a transient change due to the external bias, and as such, the scanned measurements were yielding non-steady-state values. Unger et al.(1) and Snaith et al.(2) proposed two approaches to remedy this issue, both of which sought to take the unknown, internal changes of the material into account by devising steady-state measurements. This was done by either significantly slowing down the scan rate, such that the system was allowed to reach steady state at each point of the scan, or by measuring the stabilized or steady-state photocurrent at the maximum power point voltage. The advantage of the former technique is that performance parameters such as the short-circuit current (Jsc), open-circuit voltage (Voc), fill factor (FF), and series resistance can be determined with high fidelity. The latter has the advantages of being much faster to perform, allowing for rapid estimation of the performance of a multitude of cells, and enabling approximation of the solar cell performance under actual operating conditions. The community largely acknowledged and debated the phenomenon of hysteresis, but only slowly took up either of the two recommendations.

14 SOLAR ENERGY↗
DOE OSTI2023

Molecular Switch Cobalt Redox Shuttle with a Tunable Hexadentate Ligand

Strong-field hexadentate ligands were synthesized and coordinated to cobalt metal centers to result in three new low-spin to low-spin Co(III/II) redox couples. The ligand backbone has been modified with dimethyl amine groups to result in redox potential tuning of the Co(III/II) redox couples from –200 to –430 mV versus Fc +/0 . The redox couples surprisingly undergo a reversible molecular switch rearrangement from five-coordinate Co(II) to six-coordinate Co(III) despite the ligands being hexadentate. The complexes exhibit modestly faster electron self-exchange rate constants of 2.2–4.2 M –1 s –1 compared to the high-spin to low-spin redox couple [Co(bpy) 3 ] 3 + /2 + at 0.27 M –1 s –1 , which is attributed to the change in spin state being somewhat offset by this coordination switching behavior. The complexes were utilized as redox shuttles in dye-sensitized solar cells with the near-IR AP25 + D35 dye system and exhibited improved photocurrents over the [Co(bpy) 3 ] 3 + /2 + redox shuttle (19.8 vs 18.0 mA/cm 2 ). Finally, future directions point toward pairing the low-spin to low-spin Co(II/III) tunable series to dyes with significantly more negative highest occupied molecular orbital potentials that absorb into the near-IR where outer sphere redox shuttles have failed to produce efficient dye regeneration.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Hybrid Dion–Jacobson 2D Lead Iodide Perovskites

The three-dimensional hybrid organic–inorganic perovskites have shown huge potential for use in solar cells and other optoelectronic devices. Although these materials are under intense investigation, derivative materials with lower dimensionality are emerging, offering higher tunability of physical properties and new capabilities. Here, we present two new series of hybrid two-dimensional (2D) perovskites that adopt the Dion–Jacobson (DJ) structure type, which are the first complete homologous series reported in halide perovskite chemistry. Lead iodide DJ perovskites adopt a general formula A'A n–1 PbnI 3 n +1 (A' = 3-(aminomethyl)piperidinium (3AMP) or 4-(aminomethyl)piperidinium (4AMP), A = methylammonium (MA)). These materials have layered structures where the stacking of inorganic layers is unique as they lay exactly on top of another. With a slightly different position of the functional group in the templating cation 3AMP and 4AMP, the as-formed DJ perovskites show different optical properties, with the 3AMP series having smaller band gaps than the 4AMP series. Analysis on the crystal structures and density functional theory (DFT) calculations suggest that the origin of the systematic band gap shift is the strong but indirect influence of the organic cation on the inorganic framework. Fabrication of photovoltaic devices utilizing these materials as light absorbers reveals that (3AMP)(MA) 3 Pb 4 I 13 has the best power conversion efficiency (PCE) of 7.32%, which is much higher than that of the corresponding (4AMP)(MA) 3 Pb 4 I 13 .

14 SOLAR ENERGY↗
DOE OSTI2014

Silicon heterojunction solar cell with passivated hole selective MoO{sub x} contact

We explore substoichiometric molybdenum trioxide (MoO{sub x}, x < 3) as a dopant-free, hole-selective contact for silicon solar cells. Using an intrinsic hydrogenated amorphous silicon passivation layer between the oxide and the silicon absorber, we demonstrate a high open-circuit voltage of 711 mV and power conversion efficiency of 18.8%. Due to the wide band gap of MoO{sub x}, we observe a substantial gain in photocurrent of 1.9 mA/cm{sup 2} in the ultraviolet and visible part of the solar spectrum, when compared to a p-type amorphous silicon emitter of a traditional silicon heterojunction cell. Our results emphasize the strong potential for oxides as carrier selective heterojunction partners to inorganic semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Transient terahertz photoconductivity measurements of minority-carrier lifetime in tin sulfide thin films: Advanced metrology for an early stage photovoltaic material

Materials research with a focus on enhancing the minority-carrier lifetime of the light-absorbing semiconductor is crucial to advancing solar energy technology for both early stage and mature material platforms alike. Tin sulfide (SnS) is an absorber material with several clear advantages for manufacturing and deployment, but the record power conversion efficiency remains below 5%. We report measurements of bulk and interface minority-carrier recombination rates in SnS thin films using optical-pump, terahertz-probe transient photoconductivity (TPC) measurements. Post-growth thermal annealing in H 2 S gas increases the minority-carrier lifetime, and oxidation of the surface reduces the surface recombination velocity. However, the minority-carrier lifetime remains below 100 ps for all tested combinations of growth technique and post-growth processing. Vast improvement in SnS solar cell performance will hinge on finding and mitigating as-yet-unknown recombination-active defects. We describe in detail our methodology for TPC experiments, and we share our data analysis routines in the form freely available software.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Research Update: Emerging chalcostibite absorbers for thin-film solar cells

Copper antimony chalcogenides CuSbCh 2 (Ch=S, Se) are an emerging family of absorbers studied for thin-film solar cells. These non-toxic and Earth-abundant materials show a layered low-dimensional chalcostibite crystal structure, leading to interesting optoelectronic properties for applications in photovoltaic (PV) devices. This research update describes the CuSbCh 2 crystallographic structures, synthesis methods, competing phases, band structures, optoelectronic properties, point defects, carrier dynamics, and interface band offsets, based on experimental and theoretical data. Correlations between these absorber properties and PV device performance are discussed, and opportunities for further increase in the efficiency of the chalcostibite PV devices are highlighted.

14 SOLAR ENERGY↗
DOE OSTI2016

Simulation of spatial distribution of absorbed laser energy in spherical microcapsules

Specific features of optical field distribution in composite spherical particles consisting of a liquid core and nanocomposite absorbing shell are theoretically studied at different wavelengths of incident radiation. Using the numerical simulation it is shown that the thickness of the shell of the spherical microcapsule particle and its intrinsic absorption coefficient determine the character of the spatial distribution and the absorbed power. The variation of these parameters allows one to change the spatial position of efficient volume absorption regions and peak absorption values. This provides favourable conditions for opening the shells in appropriate spatial zones to release the contents of the microcapsules. (interaction of laser radiation with matter)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗