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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Combinatorial Platform for Discovery of Nanocrystal-Ink Based Earth Abundant Element PV with Efficiency Greater than 20% (Final Technical Report)

(1) We successfully developed an ultrasonic spray coating system that can be used to deposit thin chalcogenide films with composition gradients. 4 publications under the contract have been published with the instrument. The instrument was used to reveal the effects of intrinsic composition and examine the effects of 25 different dopant elements. Surprisingly, doping with most elements had little to no effect on the quasi- Fermi level splitting of bare films. A few elements were found to be detrimental including Fe, Co, and Ni. However, Li, Ge, and others were discovered to be beneficial. Ge and Li were explored in depth, and our best devices utilize lithium doping. (2) We developed a new model of absorption coefficients, that when combined with absolute intensity photoluminescence, yield the steady-state quasi-Fermi level splitting and a way to quantify the sub-bandgap absorption. This has resulted in 2 publications on the method, with another in preparation. This is a significant development that should impact other PV technologies. We have already received samples from 2 major PV companies to examine. Further, the model shows that tail states (potential fluctuations) in CZTSSe can only explain about 90 mV of loss in the open circuit voltage. (3) We found that lithium doping has several beneficial effects on CZTSSe. It improves the open-circuit voltage, short circuit current, fill factor, and shunt resistance. By using scanning Kelvin probe microscopy (SKPM) and conductive AFM (along with device measurements, DLPC, and XPS), we discovered that lithium acts to increase the p-type doping in both the grain and grain boundaries (GBs). The effect is stronger in the GBs and changes the direction of the electric field at the GB. In lithium doped devices, an electric field repels minority carrier electrons away from the GB. This resulted in a publication and the fabrication of 11.8% efficient devices from a DMSO-thiourea molecular ink. The mechanism of action is most likely due to the formation of Li Cu , which inhibits the formation of the donor defect Zn Cu . This reduces compensation and increases the net p-type doping. (4) By alloying with germanium, we have fabricated CZTGSSSe devices with the best open-circuit voltage (relative the maximum theoretical open-circuit voltage for the bandgap) for any kesterite solar cell. The Voc/Voc,max is 63%, compared to 58% for the record efficiency cell from hydrazine. The origin of the increased voltage efficiency appears to be related to the conduction band off-set and the suppression of a deep defect ($\sim$0.8 eV), most likely due to Cu Sn , but Sn Zn or Sn Cu are also possible. All milestones and go/no-go metrics were met with exception of the device efficiency milestone (15% then 20%). However, under the contract, hydrazine-free CZTSSe device efficiencies increased from 7.2% at the start of the contract to 11.8% upon completion.

14 SOLAR ENERGY↗
DOE OSTI2018

Structural, Microstructural, Magnetic, and Ferroelectric Properties of Ba{sup 2+}-Doped BiFeO{sub 3} Nanocrystalline Multifferroic Material

Multiferroic barium-substituted nanocrystalline samples having the general formula Bi{sub 1−x}Ba{sub x}FeO{sub 3} (where x = 0.00, 0.05, 0.10, 0.15, 0.20, 0.25) were prepared by cost-effective sol–gel method using metal nitrates as oxidants. The prepared samples were annealed at 650 {sup ∘}C for 4 h using a muffle furnace. The influence of Ba{sup 2+} doping on the structural, microstructural, magnetic, and ferroelectric properties of bismuth ferrite (BFO) was studied systematically by standard techniques. All the samples were characterized by X-ray diffraction (XRD) technique, and the average crystallite size was calculated using Scherrer’s formula. The surface morphology of the prepared nanocrystalline samples was studied using field emission scanning electron microscopy (FE-SEM) technique. FTIR spectra were obtained to confirm the formation of the perovskite structures. The elemental compositional details obtained were confirmed by energy dispersive spectrum (EDS) analysis. Room temperature magnetic measurements were carried out up to a field of 15 kOe, and the parent sample (BFO) shows weak ferromagnetism. Further on, Ba{sup 2+} substitution in BFO shows an increase in magnetization. P–E loops were obtained to study the ferroelectric properties of all the samples. Obtained enhancement in magnetic and ferroelectric properties at room temperature is of great interest within the research community due to its wide range of applications in memory storage, spintronics, sensors, and multi-functional devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Hydrothermal synthesis and tunable luminescence of CaSiO{sub 3}:RE{sup 3+}(RE{sup 3+} = Eu{sup 3+}, Sm{sup 3+}, Tb{sup 3+}, Dy{sup 3+}) nanocrystals

Highlights: • Near-spherical CaSiO{sub 3} nanocrystals were synthesized via a hydrothermal method. • The effect of calcination temperature on crystalline phase formation was discussed. • Optical properties of trivalent ions doped CaSiO{sub 3} nanocrystals were investigated. • Tunable luminescence of CaSiO{sub 3}:Tb{sup 3+}, Eu{sup 3+} can be achieved by a simple method. - Abstract: CaSiO{sub 3}:RE{sup 3+} (RE{sup 3+} = Eu{sup 3+}, Sm{sup 3+}, Tb{sup 3+}, Dy{sup 3+}) nanocrystals were prepared by facile hydrothermal method with further calcinations. The crystal structure and the effects of annealing temperature on phase transition have been characterized by X-ray diffraction (XRD). The photoluminescence (PL) and PL excitation (PLE) spectra were used to characterize the optical properties of all samples. The effect of Eu{sup 3+} and Sm{sup 3+} doping concentrations on the luminescent intensity were also investigated in details, respectively. Moreover, the luminescence colors of the Tb{sup 3+} and Eu{sup 3+} co-doped CaSiO{sub 3} samples can be tuned by simply adjusting the relative doping concentrations of the rare earth ions under a single wavelength excitation, which might find potential applications in the fields of light display systems and optoelectronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Sensitivity-Enhanced 207 Pb Solid-State NMR Spectroscopy for the Rapid, Non-Destructive Characterization of Organolead Halide Perovskites

Here, organolead halide and mixed halide perovskites (CH 3 NH 3 PbX 3 , CH 3 NH 3 PbX 3– n Y n , X and Y = Cl – , Br – , or I – ) are promising materials for photovoltaics and optoelectronic devices. 207 Pb solid-state NMR spectroscopy has previously been applied to characterize phase segregation and halide ion speciation in mixed halide perovskites. However, NMR spectroscopy is an insensitive technique that often requires large sample volumes and long signal averaging periods. This is especially true for mixed halide perovskites, which give rise to extremely broad 207 Pb solid-state NMR spectra. Here, we quantitatively compare the sensitivity of the various solid-state NMR techniques on pure and mixed halide organolead perovskites and demonstrate that both fast MAS and DNP can provide substantial gains in NMR sensitivity for these materials. With fast MAS and proton detection, high signal-to-noise ratio two-dimensional (2D) 207 Pb– 1 H heteronuclear correlation (HETCOR) NMR spectra can be acquired in less than half an hour from only ca. 4 μL of perovskite material. Modest relayed DNP enhancements on the order of 1 to 20 were obtained for perovskites. The cryogenic temperatures (110 K) used for DNP experiments also provide a significant boost in sensitivity. Consequently, it was possible to obtain the 207 Pb solid-state NMR spectrum of a 300 nm thick model thin film of CH 3 NH 3 PbI 3 in 34 h by performing solid-state NMR experiments with a sample temperature of 110 K. This result demonstrates the possibility of using NMR spectroscopy for characterization of perovskite thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2014

In situ Crystallization of RF sputtered ITO thin films: A comparison with annealed samples

Tin doped Indium Oxide (ITO) is a wide band gap semiconductor with high conductivity and transparency in the visible region of the solar spectrum. One of the most popular and exploited applications of ITO is the realization of the transparent conductive layers needed for the electrodes of light sensitive devices, such as photovoltaic cells. The thermal energy for the crystallization of ITO films is very low (150°C). The crystallization can be achieved by the continuous energetic bombardment of the ions in the sputtering chamber without annealing or substrate heating. The accumulated energy will ensure the thermal energy necessary for the crystallization. With the help of sufficiently high sputtering power and sufficient duration, crystallized ITO films can be produced without annealing. In this report, a comparison of the conductivity and transparency of ITO films under two crystallization conditions ((1) crystallization of the sputtered films by annealing; (2) in situ crystallization of the films by providing high sputtering power and long sputtering duration) will be presented.

36 MATERIALS SCIENCE↗
DOE OSTI2014

GaAsSb/GaAsN short-period superlattices as a capping layer for improved InAs quantum dot-based optoelectronics

The application of a GaAsSb/GaAsN short-period superlattice capping layer (CL) on InAs/GaAs quantum dots (QDs) is shown to be an option for providing improved luminescence properties to this system. Separating both GaAsSb and GaAsN ternaries during the growth in 2 monolayer-thick phases solves the GaAsSbN immiscibility-related problems. Strong fluctuations in the CL composition and strain field as well as in the QD size distribution are significantly reduced, and a more regular CL interface is also obtained. Room-temperature (RT) photoluminescence (PL) is obtained for overall N contents as high as 3%, yielding PL peak wavelengths beyond 1.4 μm in samples with a type-II band alignment. High external quantum efficiency electroluminescence and photocurrent from the QD ground state are also demonstrated at RT in a single QD-layer p-i-n device. Thus, it becomes possible to combine and transfer the complementary benefits of Sb- and N-containing GaAs alloys to InAs QD-based optoelectronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

High-power green and blue electron-beam pumped surface-emitting lasers using dielectric and epitaxial distributed Bragg reflectors

ZnSe-based electron-beam pumped vertical-cavity surface-emitting lasers for the green (λ = 530 nm) and blue (λ = 462 nm) spectral region have been realized. Structures with and without epitaxial bottom distributed Bragg reflector have been fabricated and characterized. The samples consist of an active region containing 20 quantum wells with a cavity length varying between an optical thickness of 10 λ to 20 λ. The active material is ZnCdSSe in case of the green devices and ZnSe for the blue ones. Room temperature single mode lasing for structures with and without epitaxial bottom mirror with a maximum output power up to 5.9 W (green) and 3.3 W (blue) is achieved, respectively.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Insulators at fractional fillings in twisted bilayer graphene partially aligned to hexagonal boron nitride

At partial fillings of its flat electronic bands, magic-angle twisted bilayer graphene (MATBG) hosts a rich variety of competing correlated phases that show sample-to-sample variations. Divergent phase diagrams in MATBG are often attributed to the sublattice polarization energy scale, tuned by the degree of alignment of the hexagonal boron nitride (hBN) substrates typically used in van der Waals devices. Unaligned MATBG exhibits unconventional superconductor and correlated insulator phases, while nearly perfectly aligned MATBG/hBN exhibits zero-field Chern insulating phases and lacks superconductivity. Here we use scanning tunneling microscopy and spectroscopy (STM/STS) to observe gapped phases at partial fillings of the flat bands of MATBG in a new intermediate regime of sublattice polarization, observed when MATBG is only partially aligned (θ Gr-hBN ≈ 1.65°) to the underlying hBN substrate. Under this condition, MATBG hosts not only phenomena that naturally interpolate between the two sublattice potential limits, but also unexpected gapped phases absent in either of these limits. At charge neutrality, we observe an insulating phase with a small energy gap (Δ < 5 meV) likely related to weak sublattice symmetry breaking from the hBN substrate. In addition, we observe new gapped phases near fractional fillings ν = ±1/3 and ν = ±1/6, which have not been previously observed in MATBG. Importantly, energy-resolved STS unambiguously identifies these fractional filling states to be of single-particle origin, possibly a result of the super-superlattice formed by two moiré superlattices. Finally, our observations emphasize the power of STS in distinguishing single-particle gapped phases from many-body gapped phases in situations that could be easily confused in electrical transport measurements, and demonstrate the use of substrate engineering for modifying the electronic structure of a moiré flat-band material.

Physics↗
DOE OSTI2024

Effects of structural defects on optical properties of In x Ga 1-x N layers and quantum wells

This review concentrates on the microstructure of In x Ga 1-x N layers and quantum wells (QWs) in relation to their optical properties. The microstructure of In x Ga 1-x N, with a constant In(x) concentration, shifts with layer thickness. Only layers below 100 nm for x = 0.1 are nearly defect-free. A photoluminescence peak is observed at 405 nm, in line with ~10% In, suggesting band-edge luminescence. Layers with greater thickness and In content present a corrugated surface with numerous structural defects, including V-defects, causing redshifts and multi-peaks in photoluminescence up to 490 nm. These defects, resembling those in GaN, lead to a corrugated sample surface. Atomic force microscopy shows a 3.7-fold larger corrugation in samples with 20 QWs compared to those with 5 QWs measured on 2 × 2 μm 2 areas. Like in GaN, dual growth on different crystallographic planes results in varied QW thicknesses, influencing optical traits of devices made from In x Ga 1-x N layers. The purpose of this review and the chosen subject is to highlight the significant contribution of Wladek Walukiewicz and his group to the current research on the properties of In x Ga 1-x N, which are crucial alloys in the field of optoelectronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Exposures of tungsten nanostructures to divertor plasmas in DIII-D

Tungsten nanostructures (W-fuzz) prepared in the PISCES-A linear device have been found to survive direct exposure to divertor plasmas in DIII-D. W-fuzz was exposed in the lower divertor of DIII-D using the divertor material evaluation system. Two samples were exposed in lower single null (LSN) deuterium H-mode plasmas. The first sample was exposed in three discharges terminated by vertical displacement event disruptions, and the second in two discharges near the lowered X-point. More recently, three samples were exposed near the lower outer strike point in predominantly helium H-mode LSN plasmas. In all cases, the W-fuzz survived plasma exposure with little obvious damage except in the areas where unipolar arcing occurred. In conclusion, arcing is effective in W-fuzz removal, and it appears that surfaces covered with W-fuzz can be more prone to arcing than smooth W surfaces.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A small-volume, high-throughput approach for surface tension and viscosity measurements of liquid fuels

An ongoing effort looking at bioblendstocks to function as drop-in replacements or blending components for gasoline has identified a large number of candidate fuels. This work documents an approach for rapid screening of candidate fuels using relatively small sample sizes ($\mathcal{O}(\mu\,{\rm l})$) that targets two key physical properties of liquid fuels—surface tension and viscosity. The approach utilizes shape oscillation dynamics of single droplets generated by a piezo-electric device and their decay over time. Strobed imaging of the oscillation process is used along with image processing, edge detection, and data analysis to capture the decay of the oscillation over time. The time constant of the decay process along with oscillation frequency are then used to estimate viscosity and surface tension using a theory for small amplitude droplet oscillations. Measurements are obtained for primary reference fuels (isooctane and n-heptane) as well as candidate fuels from four bio-derived functional groups of interest. Measurement results for surface tension and viscosity are correlated with literature data as well as measurements from standard reference instruments. The measurement results show that the droplet oscillation based approach is capable of reproducing surface tension and viscosity values for the tested fuels within deviations of 7% and 13% respectively from literature data. Results are obtained using an average of 5 µl per fuel within about 20 s, thus demonstrating a small-volume, high-throughput approach that can be used for screening of candidate bioblendstock fuels.

09 BIOMASS FUELS↗
DOE OSTI2016

Third order nonlinear optical response exhibited by mono- and few-layers of WS 2

In this work, strong third order nonlinear optical properties exhibited by WS 2 layers are presented. Optical Kerr effect was identified as the dominant physical mechanism responsible for these third order optical nonlinearities. An extraordinary nonlinear refractive index together with an important contribution of a saturated absorptive response was observed to depend on the atomic layer stacking. Comparative experiments performed in mono- and few-layer samples of WS 2 revealed that this material is potentially capable of modulating nonlinear optical processes by selective near resonant induced birefringence. In conclusion, we envision applications for developing all-optical bidimensional nonlinear optical devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Benchmarking the performance of a high-Q cavity qudit using random unitaries

High-coherence cavity resonators are excellent resources for encoding quantum information in higher-dimensional Hilbert spaces, moving beyond traditional qubit-based platforms. A natural strategy is to use the Fock basis to encode information in qudits. One can perform quantum operations on the cavity mode qudit by coupling the system to a non-linear ancillary transmon qubit. However, the performance of the cavity-transmon device is limited by the noisy transmons. It is, therefore, important to develop practical benchmarking tools for these qudit systems in an algorithm-agnostic manner. We gauge the performance of these qudit platforms using sampling tests such as the heavy output generation test as well as the linear cross-entropy benchmark, by way of simulations of such a system subject to realistic dominant noise channels. We use selective number-dependent arbitrary phase and unconditional displacement gates as our universal gateset. Our results show that contemporary transmons comfortably enable controlling a few tens of Fock levels of a cavity mode. This framework allows benchmarking even higher dimensional qudits as those become accessible with improved transmons.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Atomic precision imaging with an on-chip scanning tunneling microscope integrated into a commercial ultrahigh vacuum STM system

In this article, we replace the Z axis of the piezotube of a conventional Ultrahigh-Vacuum (UHV) Scanning Tunneling Microscope (STM) with a one-degree-of-freedom Microelectromechanical-System (MEMS) nanopositioner. As a result, a hybrid system is realized in which motions in the XY plane are carried out by the piezotube, while the MEMS device performs the Z-axis positioning with a smaller footprint and higher sensitivity. With the proposed system and a feedback loop, STM imaging is conducted on an H-passivated Si (100)-2×1 sample in a UHV condition, demonstrating that this on-chip STM is conducive to atomic precision scanning tunneling microscopy.

Engineering↗
DOE OSTI2016

Portable Diagnostics and Rapid Germination

In the Bioenergy and Defense Department of Sandia National Laboratories, characterization of the BaDx (Bacillus anthracis diagnostic cartridge) was performed and rapid germination chemistry was investigated. BaDx was tested with complex sample matrixes inoculated with Bacillus anthracis, and the trials proved that BaDx will detect Bacillus anthracis in a variety of the medium, such as dirt, serum, blood, milk, and horse fluids. The dimensions of the device were altered to accommodate an E. coli or Listeria lateral flow immunoassay, and using a laser printer, BaDx devices were manufactured to identify E. coli and Listeria. Initial testing with E. coli versions of BaDx indicate that the device will be viable as a portable diagnostic cartridge. The device would be more effective with faster bacteria germination; hence studies were performed the use of rapid germination chemistry. Trials with calcium dipicolinic acid displayed increased cell germination, as shown by control studies using a microplate reader. Upon lyophilization the rapid germination chemistry failed to change growth patterns, indicating that the calcium dipicolinic acid was not solubilized under the conditions tested. Although incompatible with the portable diagnostic device, the experiments proved that the rapid germination chemistry was effective in increasing cell germination.

09 BIOMASS FUELS↗
DOE OSTI2012

Identifying new semiconductor detector materials by D.C. ionization conductivity

Herein is described a method for identifying semiconductor radiation detector materials based on the mobility of internally generated electrons and holes. It was designed for the early stages of exploration, when samples are not available as single crystals, but as crystalline powders. Samples are confined under pressure in an electric field and the increase in current resulting from exposure to a high-intensity source of ionization current (e.g., 60Co gamma rays) is measured. A pressure cell device is described herein to carry out the method. For known semiconductors, the d.c. ionization current depends on voltage according to the Hecht equation, and for known insulators the d.c. ionization current is below detection limits. This shows that the method can identify semiconductors in spite of significant carrier trapping. Using this method and pressure cell, it was determined that new materials BiOI, PbIF, BiPbO2Cl, BiPbO2Br, BiPbO2I, Bi2GdO4Cl, Pb3O2I2, and Pb5O4I2 are semiconductors.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Carrier-assisted One-pot Sample Preparation for Targeted Proteomics Analysis of Small Numbers of Human Cells

Protein analysis of small numbers of human cells is primarily achieved by targeted proteomics with antibody-based immunoassays, which have inherent limitations (e.g., low multiplex and unavailability of antibodies for new proteins). Mass spectrometry (MS)-based targeted proteomics has emerged as an alternative because it is antibody-free, high multiplex, and has high specificity and quantitation accuracy. Recent advances in MS instrumentation make MS-based targeted proteomics possible for multiplexed quantification of highly abundant proteins in single cells. However, there is a technical challenge for effective processing of single cells with minimal sample loss for MS analysis. To address this issue, we have recently developed a convenient protein carrier-assisted one-pot sample preparation coupled with liquid chromatography (LC) - selected reaction monitoring (SRM) termed cLC-SRM for targeted proteomics analysis of small numbers of human cells. This method capitalizes on using the combined excessive exogenous protein as a carrier and low-volume one-pot processing to greatly reduce surface adsorption losses as well as high-specificity LC-SRM to effectively address the increased dynamic concentration range due to the addition of exogeneous carrier protein. Its utility has been demonstrated by accurate quantification of most moderately abundant proteins in small numbers of cells (e.g., 10-100 cells) and highly abundant proteins in single cells. The easy-to-implement features and no need for specific devices make this method readily accessible to most proteomics laboratories. In this study, we have provided a detailed protocol for cLC-SRM analysis of small numbers of human cells including cell sorting, cell lysis and digestion, LC-SRM analysis, and data analysis. Further improvements in detection sensitivity and sample throughput are needed towards targeted single-cell proteomics analysis. We anticipate that cLC-SRM will be broadly applied to biomedical research and systems biology with the potential of facilitating precision medicine.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2013

Testing of a Microfluidic Sampling System for High Temperature Electrochemical MC&A

This report describes the preliminary validation of a high-temperature microfluidic chip system for sampling of electrochemical process salt. Electroanalytical and spectroscopic techniques are attractive candidates for improvement through high-throughput sample analysis via miniaturization. Further, microfluidic chip systems are amenable to micro-scale chemical processing such as rapid, automated sample purification to improve sensor performance. The microfluidic chip was tested to determine the feasibility of the system for high temperature applications and conditions under which microfluidic systems can be used to generate salt droplets at process temperature to support development of material balance and control systems in a used fuel treatment facility. In FY13, the project focused on testing a quartz microchip device with molten salts at near process temperatures. The equipment was installed in glove box and tested up to 400°C using commercial thermal transfer fluids as the carrier phase. Preliminary tests were carried out with a low-melting halide salt to initially characterize the properties of this novel liquid-liquid system and to investigate the operating regimes for inducing droplet flow within candidate carrier fluids. Initial results show that the concept is viable for high temperature sampling but further development is required to optimize the system to operate with process relevant molten salts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗