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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 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

High-κ Al{sub 2}O{sub 3} material in low temperature wafer-level bonding for 3D integration application

This work systematically investigated a high-κ Al{sub 2}O{sub 3} material for low temperature wafer-level bonding for potential applications in 3D microsystems. A clean Si wafer with an Al{sub 2}O{sub 3} layer thickness of 50 nm was applied as our experimental approach. Bonding was initiated in a clean room ambient after surface activation, followed by annealing under inert ambient conditions at 300 °C for 3 h. The investigation consisted of three parts: a mechanical support study using the four-point bending method, hermeticity measurements using the helium bomb test, and thermal conductivity analysis for potential heterogeneous bonding. Compared with samples bonded using a conventional oxide bonding material (SiO{sub 2}), a higher interfacial adhesion energy (∼11.93 J/m{sup 2}) and a lower helium leak rate (∼6.84 × 10{sup −10} atm.cm{sup 3}/sec) were detected for samples bonded using Al{sub 2}O{sub 3}. More importantly, due to the excellent thermal conductivity performance of Al{sub 2}O{sub 3}, this technology can be used in heterogeneous direct bonding, which has potential applications for enhancing the performance of Si photonic integrated devices.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Study of optical properties of Erbium doped Tellurite glass-polymer composite

Chalcogenide glasses have wide applications in optical device technology. But it has some disadvantages like thermal instability. Among them Tellurite glasses exhibits high thermal Stability. Doping of rare earth elements into the Tellurite glasses improve its optical properties. To improve its mechanical properties composites of this Tellurite glasses with polymer are prepared. Bulk samples of Er{sub 2}O{sub 3} doped TeO{sub 2}‐WO{sub 3}‐La{sub 2}O{sub 3} Tellurite glasses are prepared from high purity oxide mixtures, melting in an alumina crucible in air atmosphere. Composites of this Tellurite glasses with polymer are prepared by powder mixing method and the thin films of these composites are prepared using polymer press. Variations in band gap of these composites are studied from the UV/Vis/NIR absorption.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

A 5- μ m pitch charge-coupled device optimized for resonant inelastic soft X-ray scattering

Here, we have developed a charge-coupled device (CCD) with 5 μm × 45 μm pixels on high-resistivity silicon. The fully depleted 200 μm-thick silicon detector is back-illuminated through a 10 nm-thick in situ doped polysilicon window and is thus highly efficient for soft through > 8 keV hard X-rays. The device described here is a 1.5 megapixel CCD with 2496 × 620 pixels. The pixel and camera geometry was optimized for Resonant Inelastic X-ray Scattering (RIXS) and is particularly advantageous for spectrometers with limited arm lengths. In this article, we describe the device architecture, construction and operation, and its performance during tests at the Advance Light Source (ALS) 8.0.1 RIXS beamline. The improved spectroscopic performance, when compared with a current standard commercial camera, is demonstrated with a ~280 eV (C K ) X-ray beam on a graphite sample. Readout noise is typically 3-6 electrons and the point spread function for soft C K X-rays in the 5 μm direction is 4.0 μm ± 0.2 μm. Finally, the measured quantum efficiency of the CCD is greater than 75% in the range from 200 eV to 1 keV.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Electrical and Optical Properties of n-Type Indium-Doped CdTe/Mg 0.46 Cd 0.54 Te Double Heterostructures

CdTe/Mg 0.46 Cd 0.54 Te double heterostructures with n-type In doping concentrations, varied from 1 × 10 16 to 7 × 10 18 cm -3 , have been grown on InSb substrates using molecular beam epitaxy. Secondary ion mass spectroscopy measurements show strong diffusion of In from the InSb substrate to the CdTe buffer layer, while the In concentration is constant in the CdTe layer between the two Mg 0.46 Cd 0.54 Te barrier layers. Capacitance–voltage measurements show that the dopants are 100% ionized for the doping concentration range from 1 × 10 16 to 1 × 10 18 cm -3 . Additionally, the carrier lifetime decreases with increasing doping concentration (from 0.73 μs for an unintentionally doped sample to 0.74 ns for a 1 × 10 18 cm -3 doped sample) due to the decrease of both radiative and nonradiative lifetimes. Decent carrier lifetimes are achieved (~100 ns) between 1 × 10 16 and 1 × 10 17 cm -3 doping levels, which is beneficial for developing n-type monocrystalline CdTe solar cells, photodetectors, and other optoelectronic devices. Lastly, the strongest photoluminescence intensity is observed when the doping concentration is 1 × 10 17 cm -3 , which corresponds to the highest internal quantum efficiency.

14 SOLAR ENERGY↗
DOE OSTI2016

Defect formation during chlorine-based dry etching and their effects on the electronic and structural properties of InP/InAsP quantum wells

The general objective is the investigation of the defects formed by dry etching tools such as those involved in the fabrication of photonic devices with III–V semiconductors. Emphasis is put on plasma exposures with chlorine-based chemistries. In addition to identifying these defects and describing their effects on the electro-optic and structural properties, the long-term target would be to predict the impact on the parameters of importance for photonic devices, and possibly include these predictions in their design. The work is first centered on explaining the experimental methodology. This methodology starts with the design and growth of a quantum well structure on indium phosphide, including ternary indium arsenide/phosphide quantum wells with graded arsenic/phosphor composition. These samples have then been characterized by luminescence methods (photo- and cathodoluminescence), high-resolution transmission electron microscopy, and secondary ion mass spectrometry. As one of the parameters of importance in this study, the authors have also included the doping level. The samples have been exposed to the etching plasmas for “short” durations that do not remove completely the quantum wells, but change their optical signature. No masking layer with lithographic features was involved as this work is purely oriented to study the interaction between the plasma and the samples. A significant difference in the luminescence spectra of the as-grown undoped and doped samples is observed. A mechanism describing the effect of the built-in electric field appearing as a consequence of the doping profile is proposed. This mechanism involves quantum confined Stark effect and electric-field induced carrier escape from the quantum wells. In the following part, the effects of exposure to various chlorine-based plasmas were explored. Differences are again observed between the undoped and doped samples, especially for chemistries containing silicon tetrachloride. Secondary ion mass spectrometry indicates penetration of chlorine in the structures. Transmission electron microscopy is used to characterize the quantum well structure before and after plasma bombardment. By examining carefully the luminescence spectral properties, the authors could demonstrate the influence of the etching plasmas on the built-in electric field (in the case of doped samples), and relate it to some ionic species penetrating the structures. Etching plasmas involving both chlorine and nitrogen have also been studied. The etching rate for these chemistries is much slower than for some of the silicon tetrachloride based chemistries. Their effects on the samples are also very different, showing much reduced effect on the built-in electric field (for the doped samples), but significant blue-shifts of the luminescence peaks that the authors attributed to the penetration of nitrogen in the structures. Nitrogen, in interstitial locations, induces mechanical compressive stress that accounts for the blue-shifts. Finally, from the comparison between secondary ion mass spectrometry and luminescence spectra, the authors suggest some elements for a general mechanism involved in the etching by chloride-chemistries, in which a competition takes place between the species at the surface, active for the etching mechanism, and the species that penetrate the structure, lost for the etching process, but relevant in terms of impact on the electro-optic and structural features of the exposed materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Investigation of Microscopic Materials Limitations of Superconducting RF Cavities

The high-field performance of SRF cavities is often limited by breakdown events below the intrinsic limiting surface fields of Nb, and there is abundant evidence that these breakdown events are localized in space inside the cavity. Also, there is a lack of detailed understanding of the causal links between surface treatments and ultimate RF performance at low temperatures. An understanding of these links would provide a clear roadmap for improvement of SRF cavity performance, and establish a cause-and-effect ‘RF materials science’ of Nb. We propose two specific microscopic approaches to addressing these issues. First is a spatially-resolved local microwave-microscope probe that operates at SRF frequencies and temperatures to discover the microscopic origins of breakdown, and produce quantitative measurements of RF critical fields of coatings and films. Second, RF Laser Scanning Microscopy (LSM) has allowed visualization of RF current flow and sources of nonlinear RF response in superconducting devices with micro-meter spatial resolution. The LSM will be used in conjunction with surface preparation and characterization techniques to create definitive links between physical and chemical processing steps and ultimate cryogenic microwave performance. We propose to develop RF laser scanning microscopy of small-sample Nb pieces to establish surface-processing / RF performance relations through measurement of RF current distributions on micron-length scales and low temperatures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Improving the Thermomechanical Stability of High Efficiency Perovskite Solar Cells via Polymeric Nanofiber Reinforcement

We show that the mechanical stability of perovskite thin films can be increased by an order of magnitude by nanocompositing with polymeric nanofibers using a scalable method. We discuss the increase in fracture resistance energy, Gc, in the nanocomposite samples with respect to nanofiber orientation. We demonstrate this platform with commodity polymeric nanofibers including nylon-6,6 and polyvinyl alcohol. The fiber network reduces the mechanical fragility of the PSCs by increasing their fracture energy several-fold, while maintaining comparable morphology, chemical composition, and device efficiencies to pristine perovskite. Improved power conversion efficiency stability of the nanocomposites under accelerated aging conditions is demonstrated. This platform is a promising advance toward the commercial viability of PSCs.

Samoylov, Anton↗
DOE OSTI2025

Mapping Rare Earths and Toxics in E-Waste via Hyperspectral Imaging and Machine Learning

Electronic waste (e-waste) presents a mounting challenge to environmental sustainability due to its complex composition, which includes high-value rare earth elements, hazardous organic compounds, and non-recyclable plastics. Accurate and scalable material classification is essential for enabling efficient resource recovery and safe recycling practices. This study introduces a confidence-aware classification pipeline that combines mid-infrared hyperspectral imaging (HSI), spectral angle mapping (SAM), and iterative machine learning to perform pixel-level material identification across e-waste devices. A curated spectral library encompassing artificial materials (e.g., plastic iron oxide, galvanized metals), minerals (e.g., allanite, hematite), and organic compounds (e.g., benzanthracene, toluene) was used to generate pseudo-labels, each assigned a confidence score based on SAM-derived spectral similarity. High-confidence samples from seven consumer electronics—digital cameras, keyboards, laptop fans, modems, motherboards, TV remotes, and speakers—were iteratively expanded and classified using models such as Support Vector Machine (SVM), Random Forest, Gradient Boosting Classifier, Partial Least Squares Discriminant Analysis (PLSDA) and Logistic Regression. The best-performing classifiers achieved macro F1 scores approaching 1.0. Results revealed widespread plastic content (dominated by plastic iron oxide), the presence of rare earth-bearing minerals like cerium-containing allanite, and pervasive detection of hazardous organics such as benzanthracene. Principal Component Analysis (PCA) visualizations and confusion matrices confirmed high separability and robust classification performance. This methodology enables precise, non-destructive, and scalable classification of heterogeneous e-waste streams. It supports automated, hazard-aware sorting in recycling workflows, facilitating selective recovery of critical materials and compliance with circular economy goals. The confidence-aware framework provides a foundation for real-time deployment in industrial settings, offering significant implications for smart e-recycling infrastructure and policy-driven material stewardship.

Circular economy↗
DOE OSTI2026

Component-Level Inverse Design of Transmon Qubits Using Neural Networks

Designing a superconducting qubit to realize specific Hamiltonian parameters typically requires iterating through a time and compute-intensive forward loop in which the designer chooses a layout geometry, simulates it, extracts circuit parameters such as capacitances, and refines the geometry. We study the inverse version of this task using a neural-network workflow that maps target Hamiltonian parameters directly to component-level layout parameters, which we subsequently demonstrate on a planar transmon layout. During training, we pair the inverse model with a frozen forward surrogate model and evaluate the loss in Hamiltonian space rather than in layout-parameter space. In validation against a conventional EM solver, 97% of generated designs produce usable geometries, and the inverse-plus-surrogate pipeline reaches mean percent errors of 0.73% for qubit frequency and 1.58% for anharmonicity, comparable to or below the fabrication and simulation-to-measurement uncertainty expected for academic-process transmon devices of this type. A single pipeline query takes ~60 ms on CPU, versus ~2 min for a conventional EM capacitance extraction on the same hardware, a speedup of approximately 2,000x. Batching minimizes the AI model inference overhead, reducing the runtime to 3.1 microseconds per sample on CPU and 2.6 microseconds per sample on GPU at a batch size of 2048, resulting in speedups of 3.9 x 10^7 and 4.6 x 10^7, respectively, relative to a single conventional CPU EM extraction. Our results indicate that component-level inverse design usefully extends and complements conventional EM simulation, including for small datasets on the order of 1,000 samples.

Seidel, Olivia [Fermilab; Texas U., Arlington]↗
DOE OSTI2014

Low power ovonic threshold switching characteristics of thin GeTe{sub 6} films using conductive atomic force microscopy

Minimizing the dimensions of the electrode could directly impact the energy-efficient threshold switching and programming characteristics of phase change memory devices. A ∼12–15 nm AFM probe-tip was employed as one of the electrodes for a systematic study of threshold switching of as-deposited amorphous GeTe{sub 6} thin films. This configuration enables low power threshold switching with an extremely low steady state current in the on state of 6–8 nA. Analysis of over 48 different probe locations on the sample reveals a stable Ovonic threshold switching behavior at threshold voltage, V{sub TH} of 2.4 ± 0.5 V and the off state was retained below a holding voltage, V{sub H} of 0.6 ± 0.1 V. All these probe locations exhibit repeatable on-off transitions for more than 175 pulses at each location. Furthermore, by utilizing longer biasing voltages while scanning, a plausible nano-scale control over the phase change behavior from as-deposited amorphous to crystalline phase was studied.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Stress-induced hydrogen self-trapping in tungsten

The molecular dynamics simulations of trapping of hydrogen atoms in tungsten are presented. The simulations reveal formation of platelet-like structures of self-trapped hydrogen induced by stresses in tungsten, in particular, those produced by dislocations, at the interstitial hydrogen concentrations ~0.3-1 at.%. The spontaneous hydrogen platelet formation in absence of dislocations and external stresses has been also observed at the higher hydrogen concentrations ~10 at.%. It is shown that the platelets can retain substantial quantities of hydrogen, exceeding trapping capacity of other non-cavity defects in tungsten. The properties of the hydrogen latelets formed in tungsten under various conditions are assessed and a formation mechanism is proposed. A model of hydrogen retention by the dislocation-induced structures is also presented, which describes retained quantities and outgassing dynamics of hydrogen in plasma exposed tungsten samples.

08 HYDROGEN↗
DOE OSTI2016

Effect of Water Vapor, Temperature, and Rapid Annealing on Formamidinium Lead Triiodide Perovskite Crystallization

Perovskite-based solar cells are one of the emerging candidates for radically lower cost photovoltaics. Herein, we report on the synthesis and crystallization of organic-inorganic formamidinium lead triiodide perovskite films under controlled atmospheric and environmental conditions. Using in situ (scanning) transmission electron microscopy, we make observations of the crystallization process of these materials in nitrogen and oxygen gas with and without the presence of water vapor. Complementary planar samples were also fabricated in the presence of water vapor and characterized by in situ X-ray diffraction. Direct observations of the material structure and final morphology indicate that the exposure to water vapor results in a porous film that is metastable, regardless of the presence of argon, nitrogen, or oxygen. However, the optimal crystallization temperature of 175 °C is unperturbed across conditions. Rapid modulation about the annealing temperature of 175 °C in ±25 °C steps (150-200 °C) promotes crystallization and significantly improves the film morphology by overcoming the presence of impregnated water trapped in the material. Following this processing protocol, we demonstrate substantial growth to micron-size grains via observation inside of an environmentally controlled transmission electron microscope. Adapting this insight from our in situ microscopy, we are able to provide an informed materials protocol to control the structure and morphology of these organic-inorganic semiconductors, which is readily applicable to benchtop device growth strategies.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Up-conversion luminescent properties of La{sub (0.80−x)}VO{sub 4}:Yb{sub x}, Er{sub 0.20} phosphors

Highlights: • A novel green and red emitting LaVO{sub 4}:Yb{sub x}{sup 3+}, Er{sub 0.20}{sup 3+} phosphors were synthesized. • Their structures, luminescent properties have also been investigated. • Major laser transition for Er{sup 3+} ion is {sup 2}H{sub 11/2} → {sup 4}I{sub 15/2} (525 nm). • These results suggest the possibility as photonic devices. - Abstract: Yb{sup 3+}, Er{sup 3+} co-doped LaVO{sub 4} phosphors were synthesized by solid state reaction method. Yb{sup 3+} concentrations were changed from 0.01 to 0.20 mol for the fixed Er{sup 3+} concentration at 0.2 mol. The crystalline structure of samples was investigated by X-ray diffraction (XRD). The composition was investigated by X-ray photoelectron spectroscopy (XPS) analysis. The surface morphology was observed by scanning electron microscope (SEM). The red and green up-conversion emissions were observed in Yb{sup 3+}, Er{sup 3+} co-doped LaVO{sub 4} phosphors under the excitation of 980 nm laser diode. Several emissions in green and red regions of the spectrum were observed near 525 nm, 553 nm and 659 nm radiated by {sup 2}H{sub 11/2} → {sup 4}I{sub 15/2}, {sup 4}S{sub 3/2} → {sup 4}I{sub 15/2}, and {sup 4}F{sub 3/2} → {sup 4}I{sub 15/2} transitions, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Streamlined approach to mapping the magnetic induction of skyrmionic materials

Recently, Lorentz transmission electron microscopy (LTEM) has helped researchers advance the emerging field of magnetic skyrmions. These magnetic quasi-particles, composed of topologically non-trivial magnetization textures, have a large potential for application as information carriers in low-power memory and logic devices. LTEM is one of a very few techniques for direct, real-space imaging of magnetic features at the nanoscale. For Fresnel-contrast LTEM, the transport of intensity equation (TIE) is the tool of choice for quantitative reconstruction of the local magnetic induction through the sample thickness. Typically, this analysis requires collection of at least three images. Here in this paper, we show that for uniform, thin, magnetic films, which includes many skyrmionic samples, the magnetic induction can be quantitatively determined from a single defocused image using a simplified TIE approach.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Hysteretic Responses of Skyrmion Lattices to Electric Fields in Magnetoelectric Cu 2 OSeO 3

Electric field control of topologically nontrivial magnetic textures, such as skyrmions, provides a paradigm shift for future spintronics beyond current silicon-based technology. While significant progress has been made by X-ray and neutron scattering studies, direct observation of such nanoscale spin structures and their dynamics driven by external electric fields remains a challenge to understand underlying mechanisms and harness functionalities. Here, using Lorentz transmission electron microscopy combined with in situ electric and magnetic fields at liquid helium temperatures, we report the crystallographic-orientation dependent skyrmion responses to electric fields in thin slabs of magnetoelectric Cu 2 OSeO 3 . We show electric fields not only stabilize the hexagonally packed skyrmion lattices in the entire sample in a hysteretic manner but also induce the rotation of their reciprocal vector discretely by 30°. Furthermore, the nonvolatile and energy-efficient skyrmion-lattice control by electric fields demonstrated in this work provides an important foundation for designing skyrmion-based qubits and memory devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Gold-Induced Chemical Perturbations in CdTe-Based Photovoltaic Cells

Back-contacting p-type CdTe has been identified as one of the major areas of loss in CdTe photovoltaic (PV) power conversion efficiency (PCE). In research settings, Au is a common contact material due to its ease of use and decent performance. This work provides a detailed investigation into using gold for back contacting As-doped, CdCl 2 -treated, polycrystalline CdTe that has been exposed to air after absorber processing, another routine practice. First, X-ray photoemission spectroscopy (XPS) is used to determine the native oxide to be 1.6 nm of CdTeO 3 by using a combination of angle-resolved XPS and the cadmium-modified Auger parameter. During gold metallization of CdTe, oxygen and oxidized tellurium are eliminated from the thin CdTeO 3 native oxide. The fates of the released oxygen and possibly cadmium and tellurium are not known, but these reaction byproducts can enter the absorber bulk or grain boundaries, stay at the interface, or dissolve in the Au. Interfacial hole barriers between CdTe and Au are measured for samples with and without the native oxide present prior to metallization. Results show that the thin CdTeO 3 alleviates the downward band bending by 40 meV from 470 to 430 meV even though it is consumed during interface formation. The implications of these chemical reactions on the device are assessed through photoluminescence (PL) spectroscopy, which shows losses in internal open circuit voltage (iVoc) from 820 to 795 meV, carrier lifetime from 123 to 45 ns, and PL quantum yield from 2.9 × 10 −5 to 1.2 × 10 −5 . Modeling timeresolved PL lifetimes demonstrates the back surface recombination velocity due to metallization reduces minority carrier lifetimes. These results identify the native oxide and show that it plays an important role in mediating downward band bending along with how the back interface reaction can negatively impact device-scale parameters and reduce PV PCE.

14 SOLAR ENERGY↗
DOE OSTI2019

Electrical switching in a magnetically intercalated transition metal dichalcogenide

Advances in controlling the correlated behaviour of transition metal dichalcogenides have opened a new frontier of many-body physics in two dimensions. A field where these materials have yet to make a deep impact is antiferromagnetic spintronics-a relatively new research direction promising technologies with fast switching times, insensitivity to magnetic perturbations and reduced cross-talk. Here, we present measurements on the intercalated transition metal dichalcogenide Fe 1/3 NbS 2 that exhibits antiferromagnetic ordering below 42 K. We find that remarkably low current densities of the order of 10 4 A cm -2 can reorient the magnetic order, which can be detected through changes in the sample resistance, demonstrating its use as an electronically accessible antiferromagnetic switch. Finally, Fe 1/3 NbS 2 is part of a larger family of magnetically intercalated transition metal dichalcogenides, some of which may exhibit switching at room temperature, forming a platform from which to build tuneable antiferromagnetic spintronic devices.

36 MATERIALS SCIENCE↗