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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

An Acoustic Charge Transport Imager for High Definition Television Applications: Reliability Modeling and Parametric Yield Prediction of GaAs Multiple Quantum Well Avalanche Photodiodes

Reliability modeling and parametric yield prediction of GaAs/AlGaAs multiple quantum well (MQW) avalanche photodiodes (APDs), which are of interest as an ultra-low noise image capture mechanism for high definition systems, have been investigated. First, the effect of various doping methods on the reliability of GaAs/AlGaAs multiple quantum well (MQW) avalanche photodiode (APD) structures fabricated by molecular beam epitaxy is investigated. Reliability is examined by accelerated life tests by monitoring dark current and breakdown voltage. Median device lifetime and the activation energy of the degradation mechanism are computed for undoped, doped-barrier, and doped-well APD structures. Lifetimes for each device structure are examined via a statistically designed experiment. Analysis of variance shows that dark-current is affected primarily by device diameter, temperature and stressing time, and breakdown voltage depends on the diameter, stressing time and APD type. It is concluded that the undoped APD has the highest reliability, followed by the doped well and doped barrier devices, respectively. To determine the source of the degradation mechanism for each device structure, failure analysis using the electron-beam induced current method is performed. This analysis reveals some degree of device degradation caused by ionic impurities in the passivation layer, and energy-dispersive spectrometry subsequently verified the presence of ionic sodium as the primary contaminant. However, since all device structures are similarly passivated, sodium contamination alone does not account for the observed variation between the differently doped APDs. This effect is explained by the dopant migration during stressing, which is verified by free carrier concentration measurements using the capacitance-voltage technique.

Hunt, W. D.↗
NASA NTRS2001

Model For Bending Actuators That Use Electrostrictive Graft Elastomers

Recently, it was reported that an electrostrictive graft elastomer exhibits large electric field-induced strain (4%). Combined with its high mechanical modulus, the elastomer can offer very promising electromechanical properties, in terms of output mechanical energy density, for an electroactive polymeric material. Therefore, it has been considered as one of the candidates that can be used in high performance, low mass actuation devices in many aerospace applications. Various bilayer- based bending actuators have been designed and fabricated. An analytic model based on beam theory in the strength of materials has been derived for the transverse deflection, or curvature, and the longitudinal strain of the bi-layer beam. The curvature and strain are functions of the applied voltage and the thickness, width, and Young s modulus of the active and passive layers. The model can be used to optimize the performance of electrostrictive graft elastomer-based actuators to meet the requirements of various applications. In this presentation, optimization and sensitivity studies are applied to the bending performance of such actuators.

Costen, Robert C.↗
DOE OSTI2025

Role of Salt Concentration on Interphase Dynamics and Chemistry of Silicon Anodes during Electrochemical Cycling

We investigated the chemistry and structure of the solid electrolyte interphase (SEI) grown over a silicon anode as a function of the lithium salt concentration. In these experiments, in situ neutron reflectivity measurements were performed to measure the thickness and composition of the SEI formed from 1.0 and 5.5 M lithium bis(trifluoromethane)sulfonimide (LiTFSI) in standard ethylene carbonate:dimethyl carbonate electrolytes. These measurements reveal the formation of a 350+ Å thick SEI layer that is predominantly organic (∼80%) and dimensionally stable when using a 1.0 M salt solution. In contrast, increasing the salt concentration to 5.5 M resulted in an SEI that exhibited thickness changes from 100 to 375 Å and became up to 30% inorganic. In conclusion, these compositional and structural changes point to the role of salt speciation on the resulting passivation of silicon electrodes and indicate the need to form more organic-like passivation layers to promote the calendar life of silicon anodes.

Electrodes↗
DOE OSTI2020

Elucidating Interfacial Stability between Lithium Metal Anode and Li Phosphorus Oxynitride via In Situ Electron Microscopy

Li phosphorus oxynitride (LiPON) is one of a very few solid electrolytes that have demonstrated high stability against Li metal and extended cyclability with high Coulombic efficiency for all solid-state batteries (ASSBs). However, theoretical calculations show that LiPON reacts with Li metal. Here, we utilize in situ electron microscopy to observe the dynamic evolutions at the LiPON–Li interface upon contacting and under biasing. We reveal that a thin interface layer (~60 nm) develops at the LiPON–Li interface upon contact. This layer is composed of conductive binary compounds that show a unique spatial distribution that warrants an electrochemical stability of the interface, serving as an effective passivation layer. Our results explicate the excellent cyclability of LiPON and reconcile the existing debates regarding the stability of the LiPON–Li interface, demonstrating that, though glassy solid electrolytes may not have a perfect initial electrochemical window with Li metal, they may excel in future applications for ASSBs.

25 ENERGY STORAGE↗
DOE OSTI2024

Effects of Ligand Chemistry on Ion Transport in 2D Hybrid Organic–Inorganic Perovskites

2D hybrid organic–inorganic perovskites are potentially promising materials as passivation layers that can enhance the efficiency and stability of perovskite photovoltaics. The ability to suppress ion transport is proposed as a stabilization mechanism, yet an effective characterization of relevant modes of halide diffusion in 2D perovskites is nascent. In light of this knowledge gap, molecular dynamics simulations with enhanced sampling and experimental validation to systematically characterize how ligand chemistry in seven (R-NH 3 ) 2 PbI 4 systems impacts halide diffusion, particularly in the out-of-plane direction is combined. It is found that increasing stiffness and length of ligands generally inhibits ion transport, while increasing ligand polarization generally enhances it. Structural and energetic analyses of the migration pathways provide quantitative explanations for these trends, which reflect aspects of the disorder of the organic layer. Overall, this mechanistic analysis greatly enhances the current understanding of halide migration in 2D hybrid organic–inorganic perovskites and yields insights that can inform the design of future passivation materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Environmental and Polarization Characterizations of E-Beam Plasma-Based AlF 3 -Passivated Aluminum Mirrors for Astronomical Telescopes

Astronomical space telescopes to study astrophysical phenomena from the far ultraviolet (FUV) to the near infrared (NIR) will require mirror coatings with high reflectance over this entire spectral region. While coatings for the optical and NIR part of the spectrum are fairly well developed with proven performance, the FUV range has presented significant challenges, particularly below 120nm. Recent developments in electron-beam (e-Beam) generated plasma treatment in a SF 6 environments has enabled the effective passivation of aluminum (Al) coatings for applications in the FUV, by native oxide removal and the formation of a AlF 3 passivation layer which could be tuned to any desired AlF 3 thickness. These results have been produced through a collaboration between the Goddard Space Flight Center (GSFC) and the Naval Research Laboratory (NRL). The passivation experiments have been carried out using the Large Area Plasma Processing System (LAPPS) at NRL using bare aluminum samples and provided by the coating group at GSFC. This novel procedure has demonstrated improved Al mirrors with state-of-the-art FUV reflectivity (e.g. R=91% at 121.6nm). In this paper, we will be reporting on environmental testing, micro-roughness, as well as polarization studies of these E-beam treated samples. These characterizations are being done in order to advance the Technology Readiness Level (TRL) for these Al+AlF 3 mirror coatings produced at LAPPS. The ultimate goal is to demonstrate the promise of using this coating technology to deliver reflectance performance plus stability and uniformity over a large area for a future IR/O/UV space telescope observatory.

FUV reflectance↗
DOE OSTI2020

Nanoscale TiO 2 coating improves water stability of Cs 2 SnCl 6

To improve the stability of Cs 2 SnCl 6 under aqueous/moisture environments, we applied a concept of artificial passivation by depositing a protective TiO 2 coating of 10 nm on the surface of Cs 2 SnCl 6 . Static leaching experiments results indicate that the initial release rates of Cs + and Cl - are decreased by 20–30 times with TiO 2 coating, suggesting its possibility to improve the short-term water/environmental stability of Cs 2 SnCl 6 . An amorphous-to-crystalline phase transition in TiO 2 film was observed, possibly resulting in degradation of Cs 2 SnCl 6 . However, the crystalline TiO 2 film still remains after 21 days water exposure and can still act as an effective passivation layer to reduce the release rates of Cs + and Cl - by as much as about 17 and 7 times, respectively, relative to static leaching without artificial coatings. Therefore, the water/environmental stability of metal halide perovskite Cs 2 SnCl 6 , which is a highly soluble molecular salt, can be enhanced by the nanoscale TiO 2 coating as an artificial passivation film.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Critical Insights into Solvent Choice for High-Voltage Organosulfur Electrolytes

Organosulfur electrolytes are promising candidates for enabling high-voltage cathodes due to their superior oxidative stability compared to conventional carbonate-based systems. However, their viscous nature and inability to passivate the anode necessitate the use of passivating agents and diluents to achieve meaningful charge/discharge rates. In this study, we investigate the use of cyclic fluorinated carbonates (CFCs) to form passivating interphases on electrode surfaces, aiming to optimize electrolyte performance in high-voltage systems. Electrolyte formulations containing 1.2 M LiPF 6 in a CFC:sulfone:1,1,2,2-tetrafluoroethyl-2,2,3,3-tetrafluoropropylether (TTE) mixture (2/5/3 V/V/V) were assessed in full-cell configurations with a LiNi 0.8 Mn 0.1 Co 0.1 O 2 (FCG-NMC) cathode and a 4.5 V upper cutoff potential. The results reveal that 3-3-3-trifluoropropylene carbonate (TFPC) combined with ethyl methyl sulfone (EMS) optimizes electrolyte performance, resulting in lower resistance buildup and reduced capacity loss compared to commercial electrolytes. We also explore the failure mechanisms of several carbonate/sulfone mixtures and identify key considerations for electrolyte compatibility in high-voltage systems. TFPC enhances cycling stability and lowers overall cell resistance, while fluoroethylene carbonate (FEC) formulations, despite higher ionic conductivity, fail to form adequate passivation layers, leading to rapid capacity loss. Additionally, EMS provides superior physical properties that avoid common failure modes seen with other sulfone solvents like methyl isopropyl sulfone and tetramethylene sulfone. Furthermore, this study underscores the importance of carefully selecting passivating carbonates and sulfone solvents to improve electrolyte performance and expand the viability of high-voltage electrolyte systems.

LiNi0.8Mn0.1Co0.1O2 cathode↗
NASA NTRS1985

The passive control of compressible boundary layer growth by boundary layer trips

The passive control of compressible boundary layer growth by boundary layer trips has been studied experimentally. Axisymmetric trips and three dimensional trips were used in this study. The nomial freestream Mach numbers are 1.5 and 4. The results show that trips are effective in promoting boundary layer growth. Trips are more effective for Mach 1.5 flows than for Mach 4 flows.

Chou, J. H.↗
DOE OSTI2023

HydroGEN Seedling: Monolithically Integrated Thin Film/Silicon Tandem Photoelectrodes for High-Efficiency and Stable Photoelectrochemical Water Splitting

In this project, we propose to develop monolithically integrated Si-based tandem photoelectrodes to achieve both high solar-to-hydrogen (STH) efficiency (>15%) and long-term stability (>1,000 hours) in spontaneous water splitting systems. The proposed tandem devices consist of a Ta 3 N 5 , BCTSSe, or In 0.5 Ga 0.5 N top junction, which has a bandgap of ~1.7-2.0 eV and can split the solar spectrum with the Si bottom junction. Ta 3 N 5 , BCTSSe, and InGaN will be grown/deposited on a low-resistivity nanowire tunnel junction on Si substrates using atomic layer deposition (ALD), sputtering, and molecular beam epitaxy (MBE), respectively. Both n and p-type Si solar wafers will be utilized, which can serve as the photoanode or photocathode, respectively. We will use N-rich GaN ultrathin passivation layers to protect photoelectrodes from corrosion and oxidation.

08 HYDROGEN↗
DOE OSTI2021

The passivity of lithium electrodes in liquid electrolytes for secondary batteries

Rechargeable Li metal batteries are currently limited by electrolyte decomposition and rapid Li consumption. Li plating and stripping greatly depend on the solid electrolyte interphase formed at the Li metal-liquid electrolyte interface. This Review discusses the reactions occurring at this interface from a corrosion science perspective, highlighting the requirements for an ideal passivation layer. Rechargeable Li metal batteries are currently limited by safety concerns, continuous electrolyte decomposition and rapid consumption of Li. These issues are mainly related to reactions occurring at the Li metal-liquid electrolyte interface. Additionally, the formation of a passivation film (that is, a solid electrolyte interphase) determines ionic diffusion and the structural and morphological evolution of the Li metal electrode upon cycling. In this Review, we discuss spontaneous and operation-induced reactions at the Li metal-electrolyte interface from a corrosion science perspective. We highlight that the instantaneous formation of a thin protective film of corrosion products at the Li surface, which acts as a barrier to further chemical reactions with the electrolyte, precedes film reformation, which occurs during subsequent electrochemical stripping and plating of Li during battery operation. Finally, we discuss solutions to overcoming remaining challenges of Li metal batteries related to Li surface science, electrolyte chemistry, cell engineering and the intrinsic instability of the Li metal-electrolyte interface.

25 ENERGY STORAGE↗
NASA NTRS1994

Surface Passivation for 3-5 Semiconductor Processing: Stable Gallium Sulphide Films by MOCVD

Gallium sulphide (GaS) has been deposited on GaAs to form stable, insulating, passivating layers. Spectrally resolved photoluminescence and surface recombination velocity measurements indicate that the GaS itself can contribute a significant fraction of the photoluminescence in GaS/GaAs structures. Determination of surface recombination velocity by photoluminescence is therefore difficult. By using C-V analysis of metal-insulator-semiconductor structures, passivation of the GaAs with GaS films is quantified.

Macinnes, Andrew N.↗
DOE OSTI2021

Water vapor oxidation of SiC layer in surrogate TRISO fuel particles

Under accidental conditions for high temperature gas-cooled reactors (HTGR), the SiC layer in tri-structural-isotropic (TRISO) fuel particles can be exposed to water vapor. In this study, oxidation behaviors of surrogate TRISO fuel particles were investigated in a He-20 vol% water vapor mixed atmosphere at temperatures up to 1600 °C. The growth of the crystalline oxide passivation layer with cracks and pores followed a parabolic law with time, where the maximum was 2.3 μm at 1600 °C. The oxide layer and the SiC surface under the oxide became flattened with increasing temperature, as a function of the silica viscosity and the diffusion path of water vapor. Volatilization of the oxide layer was analyzed using a mechanistic model that an inert gas in oxidizing atmospheres could influence the magnitude of volatilization. The fracture load and strength of the oxidized and thinned SiC layer were numerically estimated to decrease from 2.27 to 1.69 N and from 317 to 299 MPa, respectively, with the SiC thickness decrease from 35 to 32 μm. This prediction indicates that the oxidized SiC layer should retain fission products. Additionally, the mechanical integrity of each layer in the TRISO fuel particle after oxidation was evaluated. The results in this work provide important data for the safety analysis of accidental scenarios in HTGRs.

36 MATERIALS SCIENCE↗
NASA NTRS1987

Front surface passivation of silicon solar cells with antireflection coating

It is demonstrated that the deposition and postdeposition sintering of an antireflection (AR) coating in hydrogen acts to passivate silicon solar cells. Cells with and without an SiO2 passivating layer, coated with a TiO(x)/Al2O3 AR coating, showed comparable enhancements in short-wavelength spectral response and in open-circuit voltage Voc after sintering at 400 C for 5 min in a hydrogen ambient. The improvement in Voc of cells without SiO2 is attributed to front-surface passivation by the AR coating during processing.

Crotty, G.↗
DOE OSTI2020

Wide Band Gap Chalcogenide Semiconductors

Wide band gap semiconductors are essential for today’s electronic devices and energy applications because of their high optical transparency, controllable carrier concentration, and tunable electrical conductivity. The most intensively investigated wide band gap semiconductors are transparent conductive oxides (TCOs), such as tin-doped indium oxide (ITO) and amorphous In–Ga–Zn–O (IGZO), used in displays and solar cells, carbides (e.g., SiC) and nitrides (e.g., GaN) used in power electronics, and emerging halides (e.g., γ-CuI) and 2D electronic materials (e.g., graphene) used in various optoelectronic devices. Compared to these prominent materials families, chalcogen-based (Ch = S, Se, Te) wide band gap semiconductors are less heavily investigated but stand out because of their propensity for p-type doping, high mobilities, high valence band positions (i.e., low ionization potentials), and broad applications in electronic devices such as CdTe solar cells. This manuscript provides a review of wide band gap chalcogenide semiconductors. First, we outline general materials design parameters of high performing transparent semiconductors, as well as the theoretical and experimental underpinnings of the corresponding research methods. We proceed to summarize progress in wide band gap (EG > 2 eV) chalcogenide materials—namely, II–VI MCh binaries, CuMCh 2 chalcopyrites, Cu 3 MCh 4 sulvanites, mixed-anion layered CuMCh(O,F), and 2D materials—and discuss computational predictions of potential new candidates in this family, highlighting their optical and electrical properties. Then, we finally review applications—for example, photovoltaic and photoelectrochemical solar cells, transistors, and light emitting diodes—that employ wide band gap chalcogenides as either an active or passive layer. Overall, by examining, categorizing, and discussing prospective directions in wide band gap chalcogenides, this Review aims to inspire continued research on this emerging class of transparent semiconductors and thereby enable future innovations for optoelectronic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Synthesis of Hf 0.75 Ta 0.25 B 2 for self-coating TPS

Ultra-high temperature ceramic materials (UHTCs) are important for designing high-performance aerospace vehicles that can withstand repeated exposures to high temperatures. UHTCs mixed with silicides often have well-controlled oxidation due to the formation of protective silicates, which create a regenerative outer protective layer. Borides are known to have high melting points, high hardness and reasonably good oxidation resistance. In this study, Hf 0.75 Ta 0.25 B 2 (HTB) is proposed as a potential alternative to YSZ protective coatings and ZrB 2- SiC composites via the formation of Hf 6 Ta 2 O 17 (HTO) passivation layer. The objective of this paper is to explore the parameter space of HTB synthesis via borocarbothermal (BCTR). Effects on particle size, phase purity, and residual oxygen content were analyzed with parameters of atmosphere composition, reactant grain sizes, and differing reaction pathways. The BCTR of HfO 2 and Ta 2 O 5 were analyzed to predict HTB behavior. It was shown that both one-step and two-step reaction routes can yield HTB, but two-step yields a purer product. Nano B 4 C produced finer HTB and facilitated reaction completion. Using a reducing atmosphere also enhanced reaction completion

36 MATERIALS SCIENCE↗
DOE OSTI2025

Inhibition of Reaction Layer Formation on MgO(100) by Doping with Trace Amounts of Iron

Despite extensive research on MgO’s reactivity in the presence of CO 2 under various conditions, little is known about whether impurities incorporated into the solid, such as iron, enhance or impede hydroxylation and carbonation reactions. The purity of the MgO required for the successful implementation of MgO looping as a direct air capture technology affects the deployment costs. With this motivation, we tested how incorporated iron impacts MgO (100) reactivity and passivation layer formation under ambient conditions by using atomic force microscopy, electron microscopy, and synchrotron-based X-ray scattering. Based on electron microprobe analysis, our MgO samples were 0.5 wt % iron, and Mössbauer spectroscopy results indicated that 70% of the iron is present as Fe(II). We find that even these low levels of iron dopants impeded both the hydroxylation at various relative humidities (10%, 33%, 75%, and >95%) and carbonation in CO 2 (33%, 75%, and >95%) on the (100) surface. Crystalline reaction products were formed. Reaction layers on the sample were easily removed by exposing the sample to deionized water for 2 min. Overall, our findings demonstrate that the presence of iron dopants slows the reaction rate of MgO, indicating that MgO without incorporated iron is preferable for mineral looping applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Localized Hydrophobicity in Aqueous Zinc Electrolytes Improves Zinc Metal Reversibility

The rechargeability of aqueous zinc metal batteries is plagued by parasitic reactions of the zinc metal anode and detrimental morphologies such as dendritic or dead zinc. To improve the zinc metal reversibility, hereby we report a new solution structure of aqueous electrolyte with hydroxyl-ions scavengers and hydrophobicity localized in solvent clusters. In this work we show that although hydrophobicity sounds counterintuitive for an aqueous system, hydrophilic pockets may be encapsulated inside a hydrophobic outer layer and a hydrophobic anode-electrolyte interface can be generated through the addition of a cation-philic, strongly anion-phobic, and OH - -reactive diluent. The localized hydrophobicity enables less active water and less absorbed water on the Zn anode surface, which suppresses the parasitic water reductions; while the hydroxyl-ion-scavenging functionality further minimizes undesired passivation layer formation, thus leading to superior reversibility (an average Zn plating/stripping efficiency of 99.72% for 1000 cycles) and lifetime (80.6% capacity retention after 5000 cycles) of zinc batteries.

25 ENERGY STORAGE↗