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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Evolution of Metastable Phases During Mg Metal Corrosion: An In Situ Cryogenic X-ray Photoelectron Spectroscopy Study

Magnesium and its alloys are potential structural materials candidates for a wide variety of applications due to their high strength-to-weight ratio. However, ductility and poor corrosion resistance under ambient environmental conditions are the bottleneck for industrial deployment. Designing passivation layers and/or corrosion resistant alloys requires fundamental understanding of the corrosion process. The traditional ex-situ spectroscopic measurements of polycrystalline metal surface with ubiquitous surface impurities and grain boundaries only provided an indistinct view of the corrosion process. To clearly distinguish the mechanism and sequence of corrosion process, we employed in-situ cryo-based x-ray photoelectron spectroscopy (XPS) measurements on Mg single crystal surface exposed to aqueous salt solution. Clean Mg (0001) surfaces were exposed to pure D2O and NaCl aqueous solution (5 wt% NaCl+95 wt% D2O). The interfacial reactions were studied using multimodal analysis including XPS, x-ray diffraction (XRD) and scanning electron microscopy (SEM). In contrast to previous studies, our experiments demonstrated the formation of magnesium chloride hydroxide hydrate during aqueous salt corrosion processes. Evidence of metastable ClO* radicals were also found during the initial aqueous salt solution exposure.

Shutthanandan, Vaithiyalingam↗
DOE OSTI2022

Interface effect of Fe and Fe 2 O 3 on the distributions of ion induced defects

The stability of structural materials in extreme nuclear reactor environments—with high temperature, high radiation, and corrosive media—directly affects the lifespan of the reactor. In such extreme environments, an oxide layer on the metal surface acts as a passive layer protecting the metal underneath from corrosion. To predict the irradiation effect on the metal layer in these metal/oxide bilayers, nondestructive depth-resolved positron annihilation lifetime spectroscopy (PALS) and complementary transmission electron microscopy (TEM) were used to investigate small-scale defects created by ion irradiation in an epitaxially grown (100) Fe film capped with a 50 nm Fe 2 O 3 oxide layer. In this study, the evolution of induced vacancies was monitored, from individual vacancy formation at low doses—10 –5 dpa—to larger vacancy cluster formation at increasing doses, showing the sensitivity of positron annihilation spectroscopy technique. Furthermore, PALS measurements reveal how the presence of a metal–oxide interface modifies the distribution of point defects induced by irradiation. TEM measurements show that irradiation induced dislocations at the interface is the mechanism behind the redistribution of point defects causing their accumulation close to the interface. Finally, this work demonstrates that the passive oxide layers formed during corrosion impact the distribution and accumulation of radiation induced defects in the metal underneath and emphasizes that the synergistic impact of radiation and corrosion will differ from their individual impacts.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Diagnosing and overcoming recombination and resistive losses in non-silicon solar cells using a silicon-inspired characterization platform

This project aimed to generate the characterization tools needed for accurate and systematic loss analysis in non-silicon photovoltaic solar cell technologies and, through the use of these tools and analysis techniques, contribute to the development of a novel class of hetero-contacts to II-VI absorbers, with the final goal of demonstrating record-breaking CdSeTe devices. CdSeTe solar cells provide a prime example of the potential impact of the techniques we proposed to develop and implement: record poly-CdSeTe cells have bandgap-voltage deficits (W oc ) of approximately 550 mV, as compared with below 400 mV for all other mature PV technologies. Similarly, these record CdSeTe devices have FFs below 80%, when other mature cells are near or above 85%. Frustratingly, a systematic identification of the origin of these sub-par performances—for example recombination or resistive losses—has been lacking, thus slowing down the development of these technologies. Similarly, it is often asserted that CdSeTe cells need a better back (hole) contact. Although most believe this is true, no one knew—at the start of this project—how high the V oc and FF could be for a given cell if it had a perfect back contact. Such characterization techniques and loss analysis methods exist and are routinely performed on c-Si solar cells (e.g. injection-dependent lifetime, Suns-V oc , transfer length method, etc). Over the years, they have been instrumental in the development of silicon devices that operate at 91% of their theoretical (Auger) limit. Lifetime testing, and the associated reconstruction of the implied-J-V curve, can moreover be performed at every cell-processing step, thus allowing a direct peek into the impact of that step on cell performance. Therefore, adapting these techniques and tools to non-Si devices would greatly improve their learning rate. In this project, we developed a Suns-ERE technique—the equipment, methodology, and know-how—to measure the implied-J-V curve, the pseudo-J-V curve, and the actual J-V curve of a thin-film solar cell, allowing an accurate assessment of the quality of the bulk material and its surface passivation, the selectivity of the contact, and its resistivity. We used this technique to show that the absorber of present CdSeTe solar cells is capable of achieving 1 V Voc,, that passivation layers exist (e.g., Al2O3) that can support such high voltages, and that the barrier is identifying contact layers that are both passivating and carrier-selective. The characterization platform created in this project and the understanding generated using it will accelerate the progress of non-silicon PV technologies. In particular, the project will contribute to CdSeTe solar cells with Voc > 1 V and cell efficiency > 24%. Such cells provide a pathway to module-level efficiencies >23%. As CdSeTe presently competes with silicon on module cost (in $\$ $/W) and yet has significantly more room for efficiency gains, the potential for LCOE reduction is particularly large. For example, CdTe modules with an efficiency of 21% would allow an LCOE below $\$ $0.04kWh -1 in average US climates.

14 SOLAR ENERGY↗
DOE OSTI2021

Method of fabricating photosensitive devices with reduced process-temperature budget

A method is provided for fabricating a backside-illuminated photodetector in which a device wafer is joined to a readout wafer in an IC hybridization step. Before the IC hybridization step, the device layer is defined in the device wafer, and an LPCVD layer is formed over the device layer. The LPCVD layer may be a passivation layer, an antireflection coating, or both. The side of the device wafer having the LPCVD layer is bonded to a handle wafer, the IC is hybridized by mating the device wafer to the readout wafer, and the handle wafer is then removed, exposing the LPCVD layer. Because the LPCVD layer is formed before the active devices are fabricated, it can be made by high-temperature techniques for deposition and processing. Accordingly, a layer of high quality can be fabricated without any hazard to the active devices.

Kay, Randolph R.↗
DOE OSTI2022

Chapter 3: Ultrathin Oxides for Solar Cells

This chapter discusses the many uses of ultrathin oxide layers across a broad range of photovoltaic (PV) technologies. The chapter is broken down into six sections, working from the solar absorber outwards: passivation layers, selective contact/buffer layers, recombination layers, barrier layers, anti-reflective coatings, and anti-soiling layers. The goal is to introduce the layer function, outline the scientific mechanisms behind each function, and provide illustrative examples from academic literature and industry. One theme in this chapter is the multifunctionality of oxide layers in the PV device stack, that is, a single layer rarely has only one purpose and therefore certain ideas will build upon other sections. The chapter covers a wide range of material and the discussions and examples are by no means exhaustive. The best efforts have been made to capture the central concepts for each topic and direct the reader to additional resources that have been found by the authors to be useful and relevant.

anti-reflection coatings↗
DOE OSTI2021

Immobilization of cesium and iodine into Cs 3 Bi 2 I 9 perovskite-silica composites and core-shell waste forms with high waste loadings and chemical durability

Cs$_3$Bi$_2$I$_9$, a defect perovskite derivative, is a potential host phase to immobilize iodine and cesium with high waste loadings. In this work, two strategies were explored to form Cs$_3$Bi$_2$I$_9$-silica composites and a core-shell structure in order to improve chemical durability of waste form materials meanwhile maintaining high waste loadings. Cs$_3$Bi$_2$I$_9$ loadings as high as 70 wt.% were incorporated into a silica matrix to form silica-ceramic composites, and 20 wt.% Cs$_3$Bi$_2$I$_9$ was encapsulated into silica to form a core–shell structure by low temperature spark plasma sintering. Chemical durability of the composite and core-shell waste forms was evaluated by semi-dynamic leaching experiments, and Cs and I were incongruently released from waste form matrices. A BiOI alteration layer formed, acting as a passivation layer to reduce the release of radionuclides. The long-term iodine release rate was low (30 mg m$^{-2}$ day$^{-1}$) for the 70 wt.%Cs$_3$Bi$_2$I$_9$–silica composite leached in deionized water at 90 °C, which can be further reduced to 5 × 10$^{-3}$ mg m$^{-2}$ day$^{-1}$ for the 20 wt.% core-shell structure. This work highlights a robust way to immobilize the highly mobile radionuclides with high waste loadings through encapsulation into durable matrices and a surface passivating mechanism that can greatly reduce the elemental transport from waste form materials and significantly enhance their chemical durability.

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

Probing crystallographic orientation-specific carrier lifetimes in epitaxial Ge/AlAs and InGaAs/InP heterostructures

Current silicon (Si) fin transistors rely on (100) and (110) crystallographically oriented surfaces, and the proposed alternate channel transistor technology comprises materials with higher mobility than Si. Crystallographically oriented epitaxial germanium (Ge) and indium–gallium arsenide (InGaAs) have the potential to replace Si in ultra-low power transistor applications. The higher carrier lifetime is an indication of superior material quality, which relates to the leakage current of a fin transistor. To gain insights into the carrier recombination dynamics in these crystallographically oriented epitaxial Ge and InGaAs layers, the contactless microwave photoconductive decay (μ-PCD) technique at an excitation wavelength of 1500 nm was employed to probe the orientation-specific carrier lifetimes. Highly effective carrier lifetimes >200 ns for (100)Ge/AlAs and (110)Ge/AlAs, and ~80 ns for (111)Ge/AlAs heterostructures, were extracted at room temperature. The measured carrier lifetime has a strong dependence on the surface orientation, which could be related to orientation-specific bulk trap states present within the bandgap of Ge. The (111)Ge orientation has 3 times lower carrier lifetime compared to the (100)Ge and (110)Ge surface orientations. On the other hand, the carrier lifetimes of 125 μs and 10 ns were determined from (100)InGaAs/InP and (110)InGaAs/InP heterostructures, respectively. The reduction in carrier lifetimes in both (111)Ge and (110)InGaAs was due to high electrical conductivity or higher bulk trap states present within the bandgap as well as the facet-dependent growth of the (110)InGaAs layer on InP. A surface passivating layer is indispensable for these orientation-specific epitaxial layers to improve the carrier lifetime. Therefore, the higher carrier lifetimes from technologically interesting (100)Ge and (110)Ge surfaces would offer a path for the development of Ge-based ultra-low power electronics, and optoelectronic devices based on the (100)InGaAs layer.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Novel and effective surface passivation for high efficiency n- and p-type Silicon solar cell

The project objective was to develop a novel Si surface passivation method using chalcogens, sulfur (S) and/or selenium (Se), as passivating elements, to withstand industry-standard high temperature contacting and metallization schemes for p-type Si based passivated emitter and rear contact (p-PERC) solar cells. The back surface passivation of PERC cells has been improved drastically with the invention and successful application of an Al 2 O 3 passivation layer. However, the front n + diffused junction surface is still poorly passivated by the standard amorphous silicon nitride (SiNx) anti-reflection coating (ARC) layer. This project sought to address the passivation challenges of both front n+ emitter and undiffused p-Si back surface. Improved p-PERC solar cell performance with open circuit voltage (V OC ) > 680 mV and efficiency of 22% were targeted to validate superior defect passivation properties as compared to standard SiO 2 / Al 2 O 3 passivation. During this project, we systematically investigated process-structure-properties-performance relationships of this novel advanced defect passivation approach. The S/Se passivation was carried out by reacting industrial Czochralski (Cz) Si wafers in H 2 S and H 2 Se gases in a chemical vapor deposition (CVD) reactor at temperatures up to 700°C. After an exhaustive optimization of the process parameters (temperature, time, and gas concentration), we established an optimized process and demonstrated extremely low surface recombination velocities (SRVs) of 1.5 cm/s and 8 cm/s on n-type and p-type Si, respectively, by S-passivation. In-depth surface and interface characterization were performed using soft x-ray and photoelectron spectroscopies (XPS, UPS, XES), combined with capacitance-voltage-frequency (C-V-f) measurements, to decipher the surface chemical/electronic structure and interface defect state densities. These measurements provided critical understanding of the defect passivation mechanism and elucidated the presence of surface S-Si bonds, a reduction of surface dipoles, and low interface state densities (D it ) < 10 11 cm -2 ev -1 . We also found that the Se-passivation is inferior to the S-passivation (by at least one order of magnitude in SRV). Application of the optimized S-passivation to the n+ diffused emitter surface led to a low surface recombination current density, J0 ≈ 40 fA/cm 2 (~ 1/4 of the industry-standard SiNx-passivation), and high implied V OC (686 mV) in p-PERC solar cell structures. The S-passivation process also was found to improve the bulk quality of the p-type Si, better than the SiO 2 or Al 2 O 3 passivation processes. After successful demonstration of efficient passivation of Si surface defects by S, we extensively studied the air, thermal, and illumination stability of the passivation structure. S-passivation itself degrades in air due to competing reactions with moisture and oxygen to form oxides, which can be eliminated by a SiNx capping layer (also acting as a anti-reflective coating). After SiNx process optimization, we demonstrated illumination and thermally stable S-passivation with SRV < 5 cm/s and J 0 < 80 fA/cm 2 . These enhancements in Si passivation, incorporated into p-PERC cells, achieved an efficiency of 19.93% with V OC = 649 mV, using manufacturing metallization and contacting schemes. The low cell performance (cell V OC is much less than the implied V OC = 686 mV, anticipated from surface passivation) was identified due to degradation of S-passivation during the metal firing step (out-diffusion of S from the Si interface to the SiNx surface). The S-passivation of Si surfaces shows significant promise with excellent passivation quality, essential for high performance (high V OC , high efficiency) solar cells. Integration of this innovative defect passivation into devices, however, demands further development of the capping layer, low temperature (<700°C) metallization process, and/or engineering of advanced device structures. Surface passivation-dominated advanced Si solar cells, such as tunnel oxide passivated contacts and Si heterojunctions, are increasingly of interest due to their high-performance potential and will have a growing photovoltaic market share in the near future.

14 SOLAR ENERGY↗
NASA NTRS2012

Apparatus and method of manufacture for an imager equipped with a cross-talk barrier

An imager apparatus and associated starting material are provided. In one embodiment, an imager is provided including a silicon layer of a first conductivity type acting as a junction anode. Such silicon layer is adapted to convert light to photoelectrons. Also included is a semiconductor well of a second conductivity type formed in the silicon layer for acting as a junction cathode. Still yet, a barrier is formed adjacent to the semiconductor well. In another embodiment, a starting material is provided including a first silicon layer and an oxide layer disposed adjacent to the first silicon layer. Also included is a second silicon layer disposed adjacent to the oxide layer opposite the first silicon layer. Such second silicon layer is further equipped with an associated passivation layer and/or barrier.

Pain, Bedabrata↗
DOE OSTI2021

Understanding Solid Electrolyte Interphase Nucleation and Growth on Lithium Metal Surfaces

Experiments and theory are needed to decode the exact structure and distribution of components of a passivation layer formed at the anode surface of Li metal batteries, known as the Solid Electrolyte Interphase (SEI). Due to the inherent dynamic behavior as well as the lithium reactivity, the SEI structure and its growth mechanisms are still unclear. This study uses molecular simulation and computational chemistry tools to investigate the initial nucleation and growth dynamics of LiOH and Li2O that provide us with thermodynamics and structural information about the nucleating clusters of each species. Following the most favorable pathways for the addition of each of the components to a given nascent SEI cluster reveals their preferential nucleation mechanisms and illustrates different degrees of crystallinity and electron density distribution that are useful to understand ionic transport through SEI blocks.

25 ENERGY STORAGE↗
DOE OSTI2022

Energetics of oxidation and formation of uranium mononitride

Uranium mononitride (UN) is an advanced nuclear fuel currently being considered for use in several generation IV fast and thermal neutron spectrum core designs, with additional applications to thermal and electric nuclear propulsion reactors. Here, to better understand the thermal behavior and thermodynamic stability of UN, we investigated the bulk thermal oxidation process and thermochemical reactions, including the enthalpy of oxidation and standard enthalpy of formation, by conducting thermalgravimetric analysis – differential scanning calorimetry coupled with mass spectrometry (TGA-DSC-MS), and high temperature transposed temperature drop and oxide melt drop solution calorimetry. The bulk oxidation of UN (containing a small amount of α-UN 1.5+x ) in air was found to follow a step-wise process characterized by consecutive oxidative reactions UN-UN 1.5+x -UO 2 → UO 2 -UO 3 —N k → UO 3 —N k → UO 3 → U 3 O 8 . TGA results support that the UO 2 – U 2 N 3+x passivating layer delays the onset of rapid bulk oxidation of UN in air up to 662 K. Synchrotron X-ray diffraction (XRD) and extended X-ray absorption fine structure (EXAFS) analyses were performed to characterize UN and its final oxidized product. The standard enthalpy of formation (ΔH° f ) of UN was determined to be –144.4 ± 5.9 kJ/mol·atom, in good agreement with previously determined values from Pt encapsulation and bomb calorimetric experiments. Lastly, a negative linear correlation between ΔH° f and the N/U molar ratio was established based on the thermochemical data obtained in this work and previously reported enthalpies of formations of β-UN 1.5-x and α-UN 1.5+x .

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Mitigating electrochemical degradation in CsPbBr{sub 3} gamma detectors by organic and inorganic encapsulation.

CsPbBr3 perovskite semiconductors have emerged as a leading candidate for nextgeneration radiation detectors because of their exceptional charge transport properties, defect tolerance, and record-breaking sensitivity and energy resolution. Their long-term stability, however, is hindered by electrode-driven electrochemical decomposition, which is accelerated by moisture- and oxygen-assisted ion migration during operation. Here, we investigated organic and inorganic encapsulation strategies as both environmental barriers and means to suppress interfacial degradation pathways. Atomic layer deposition (ALD) of Al2O3 provided a conformal passivation layer that blocked environmental ingress, suppressed ionic diffusion, reduced leakage current, enhanced energy resolution and expanded the operational electric-field window beyond 5 kV∙cm1 . By contrast, organic encapsulants such as paraffin wax and polystyrene slowed moisture diffusion but did not suppress interfacial reactions, with wax extending stability to over 90 days. These results show that ALD-Al2O3 suppresses dominant interfacial degradation pathways, enabling stable, high-field operation and advancing the practical deployment of CsPbBr3 γ-ray detectors.

Unal, Mustafa↗
NASA NTRS2012

Apparatus and method of manufacture for depositing a composite anti-reflection layer on a silicon surface

An apparatus and associated method are provided. A first silicon layer having at least one of an associated passivation layer and barrier is included. Also included is a composite anti-reflection layer including a stack of layers each with a different thickness and refractive index. Such composite anti-reflection layer is disposed adjacent to the first silicon layer.

Pain, Bedabrata↗
DOE OSTI2021

Passivating window and capping layer for photoelectrochemical cells

An aspect of the present disclosure is a photoelectrochemical device that includes a first cell that includes a first semiconductor alloy, a capping layer that includes a second semiconductor alloy, and a passivating layer that includes a third semiconductor alloy, where the passivating layer is positioned between the first cell and the capping layer, and at least a portion of the capping layer is configured to be in direct contact with an electrolyte.

Deutsch, Todd Gregory↗
NASA NTRS1985

Supercritical airfoil drag reduction by passive shock wave/boundary layer control in the Mach number range .75 to .90

Airfoils operating in the transonic region are subject to large increases in drag due to shock wave/boundary layer interactions. The concept of passive shock wave/boundary layer control seeks drag reduction by placing a thin cavity with a porous top surface at the airfoil chordwise position where a shock wave would normally occur. The higher pressure behind the shock wave circulates flow through the cavity to the lower pressure ahead of the shock wave. The effects from this circulation prevent boundary layer separation and reduce entropy increases through the shock wave. In this investigation this concept is studied at a freestream Mach number range of .75 and .90. The Mach number distributions over the model, the wake impact pressure surveys used to determine profile drag and schlieren photographs for 2.8 percent porosity and solid airfoil cases are presented and compared. Results indicate that the profile drag coefficient can be reduced by as much as 40 percent through the use of this passive drag control system.

Nagamatsu, H. T.↗
DOE OSTI2021

Self-assembled multifunctional nanostructures for surface passivation and photon management in silicon photovoltaics

This work reports the fabrication and characterization of multifunctional, nanostructured passivation layers formed using a self-assembly process that provide both surface passivation and improved light trapping in crystalline silicon photovoltaic (PV) cells. Scalable block copolymer self-assembly and vapor phase infiltration processes are used to form arrays of aluminum oxide nanostructures (Al 2 O 3 ) on crystalline silicon without substrate etching. The Al 2 O 3 nanostructures are characterized using scanning electron microscopy (SEM), transmission electron microscopy (TEM), and spectroscopic ellipsometry. Injection-level dependent photoconductance measurements are used to determine the effective carrier lifetime of the samples to confirm the nanostructures successfully passivate the Si surface. Finite element method simulations and reflectance measurement show that the nanostructures increase the internal rear reflectance of the PV cell by suppressing the parasitic optical losses in the metal contact. An optimized morphology of the structures is identified for their potential use in PV cells as multifunctional materials providing surface passivation, photon management, and carrier transport pathways.

14 SOLAR ENERGY↗
DOE OSTI2024

Diamine chelates for increased stability in mixed Sn–Pb and all-perovskite tandem solar cells

Perovskite tandem solar cells show promising performance but non-radiative recombination and its progressive worsening with time, especially in the mixed Sn–Pb low-bandgap layer, limit performance and stability. Here, in this study, we find that mixed Sn–Pb perovskite thin films exhibit a compositional gradient, with an excess of Sn on the surface – and we show this gradient exacerbates oxidation and increases the recombination rate. We find that diamines preferentially chelate Sn atoms, removing them from the film surface and achieving a more balanced Sn:Pb stoichiometry, making the surface of the film resistive to the oxidation of Sn. The process forms an electrically resistive low-dimensional barrier layer, passivating defects and reducing interface recombination. Further improving the homogeneity of the barrier layer using 1,2-diaminopropane results in more uniform distribution and passivation. Tandems achieve a power conversion efficiency of 28.8%. As a result, encapsulated tandems retain 90% of initial efficiency following 1000 hours of operating at the maximum power point under simulated one-sun illumination in air without cooling.

14 SOLAR ENERGY↗