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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Realization of a wide steering end-fire facet optical phased array using silicon rich silicon nitride

The design, fabrication, and characterization of a 16-element optical phased array (OPA) using a high index (n = 3.1) silicon-rich silicon nitride (SRN) is demonstrated. Here, we present one-dimensional beam steering with end-fire facet antennas over a wide steering range of >115° at a fixed wavelength of 1525 nm. A beam width of 6.3° has been measured at boresight, consistent with theory. We demonstrate SRN as a viable material choice for chip-scale OPA applications due to its high thermo-optic coefficient, high optical power handling capacity [negligible two-photon absorption (TPA)], wide transparency window, and CMOS compatibility.

Nejadriahi, Hani↗
DOE OSTI2022

Forward silicon vertex/tracking detector design and R$\&$D for the future Electron-Ion Collider

The proposed high-luminosity high-energy Electron-Ion Collider (EIC) will provide a clean environment to precisely study several fundamental questions in the fields of high-energy and nuclear physics . A low material budget and high granularity silicon vertex/tracking detector is critical to carry out a series of hadron and jet measurements at the future EIC especially for the heavy flavor product reconstruction or tagging. The conceptual design of a proposed forward silicon tracking detector with the pseudorapidity coverage from 1.2 to 3.5 has been developed in integration with different magnet options and the other EIC detector sub-systems. The tracking performance of this detector enables precise heavy flavor hadron and jet measurements in the hadron beam going direction. The detector R&D for the proposed silicon technology candidates: Low Gain Avalanche Diode (LGAD) and radiation hard depleted Monolithic Active Pixel Sensor (MALTA), which can provide good spatial and timing resolutions, is underway. Bench test results of the LGAD and MALTA prototype sensors will be discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Recycling Silicon Bottom Cells from End-of-Life Perovskite–Silicon Tandem Solar Cells

Perovskite-silicon tandem cells have shown much higher efficiencies than the single junction cells, which promises further reduction of energy cost from photovoltaics. Due to the protection by perovskites, silicon subcells in perovskite-silicon tandem cells may last much longer than they are designed for single junction devices. Here we report recycling silicon bottom cells from end-of-life perovskite-silicon tandem solar cells which further reduce their cost and enhance the sustainability. We demonstrate that silicon bottom cells can be recycled from end-oflife tandem cells by thermal delamination and chemical cleaning processes. The optoelectronic properties of silicon bottom cells were shown largely unchanged at the end-of-life tandem cells. The tandem cells refurbished from recycled silicon bottom cells show comparable efficiencies with those fabricated from fresh ones.

14 SOLAR ENERGY↗
DOE OSTI2025

High tensile alloy of copper to mitigate current collector deformation in silicon electrodes for lithium-ion batteries

The volumetric changes of silicon electrodes, along with the strong adhesive properties of certain binders, can lead to plastic deformation of the current collector and create damage in the electrode coating. Here, in this study, we report a detailed study of silicon coatings on a high-tensile alloy (HTA) foil of copper with strength over twice that of conventional copper foils. The HTA current collectors with high mechanical strength can mitigate plastic deformation upon continuous cycling. At moderate areal capacities (2.5–3 mAh cm −2 ), conventional copper foils show significant wrinkling after only a few electrochemical cycles, whereas the HTA foils remain intact. We demonstrate viability of the HTA foils in large format xx6395 pouch cells, in which the HTA current collectors remain intact even at an areal capacity of 4.5 mAh cm −2 ; in contrast, wrinkles form in conventional copper current collectors increasing the likelihood of lithium plating. Computational studies show that stresses generated during cycling of silicon electrodes are very high in the current collector and at the current collector-coating interface, explaining the wrinkling of conventional Cu foils. Our studies highlight importance of current collector to solve the electrochemical and chemo-mechanical performance challenges associated with high-loading silicon electrodes.

Chemo-mechanical degradation↗
DOE OSTI2023

Degradation-related defect level in weathered silicon heterojunction modules characterized by deep level transient spectroscopy

Commercial silicon heterojunction photovoltaic modules, known as amorphous-silicon-based heterojunction with intrinsic thin-film layer (HIT) modules, show average degradation after 10 years in the field. HIT modules weathered outdoors in Colorado and Florida display mostly uniform decreases in intensity when mapped with photoluminescence (PL) imaging compared to a control module. Flash-table-based current-voltage curves show that degradation is dominated by voltage loss. Samples are cored from each of the modules, and deep level transient spectroscopy (DLTS) detects three electron-trap defect states in all modules with activation energies of electron emission from the defects of 0.07, 0.16, and 0.50 eV. DLTS measurements on the weathered modules show an additional deep-level, electron-trap defect state with an activation energy of 0.51 eV and a trap density of approximately 10 12 cm –3 . The capture rate is measured using varying short filling pulse times, and the resulting capture cross section is estimated to be 1.1x10 –16 cm 2 . The development of the weathering-related defect level correlates to decreases in carrier lifetime, PL intensity, and module voltage. Various depths of the space charge region are probed with increments in applied reverse bias and filling-pulse bias. Furthermore, this DLTS depth profiling shows a trend of trap density increasing with less applied reverse bias, suggesting that the weathering-related defect increases carrier recombination toward the interface between the bulk silicon wafer and the junction-forming amorphous-silicon passivation layers.

14 SOLAR ENERGY↗
DOE OSTI2023

Concurrent reaction-bonded joining and densification of additively manufactured silicon carbide by liquid silicon infiltration

Here, in this study, additive-manufactured silicon carbide preforms were joined and densified by reaction bonding via liquid silicon infiltration. The silicon carbide preforms were first printed by binder jetting additive manufacturing. To demonstrate concurrent joining and densification, two preforms with carbon or parchment papers at the interface were concurrently joined and infiltrated by liquid silicon. Results showed a robust interface with thicknesses ranging from 150 to 500 µm, depending on the paper type and the number of paper layers. High-energy synchrotron X-ray revealed that β-phase silicon carbide was formed inside the interface. Finally, two additively manufactured samples with complicated channel geometry were successfully joined. Energy dispersive spectroscopy of the interface of the channeled samples showed a consistent and robust joining. This concurrent approach of joining and densification enables efficiency improvement of fabricating silicon carbide parts with complicated geometries and widens geometry freedom for additive manufacturing of silicon carbide.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Nanotesla Magnetometry with the Silicon Vacancy in Silicon Carbide

Silicon carbide is a promising host material for spin-defect-based quantum sensors owing to its commercial availability and established techniques for electrical and optical microfabricated device integration. The negatively charged silicon vacancy is one of the leading spin defects studied in silicon carbide owing to its near-telecom photoemission, high spin number, and nearly temperature-independent ground-state zero-field splitting. We report the realization of nanotesla shot-noise-limited ensemble magnetometry based on optically detected magnetic resonance with the silicon vacancy in 4H silicon carbide. By coarsely optimizing the anneal parameters and minimizing power broadening, we achieve a sensitivity of 50 nT/√Hz and a theoretical shot-noise-limited sensitivity of 3.5 nT/√Hz. This is accomplished without utilizing complex photonic engineering, control protocols, or applying excitation powers greater than a watt. This work demonstrates that the silicon vacancy in silicon carbide provides a low-cost and simple approach to quantum sensing of magnetic fields.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Solid‐State Prealkylation of Electrode Architectures (SPEAR): Direct Control of Prelithiation Levels in Silicon Anodes and Electrochemical Cycling

The Solid-state Prealkylation of Electrode ARchitectures (SPEAR) is different than traditional electrochemical prealkylation processes. Through SPEAR, alkylation is driven by solid-state diffusion without the simultaneous SEI formation concomitant with polarization. Here, we investigate the prelithiation of 80 wt. % Si-based anodes to varying amounts (up to Li 1.38 Si) to understand the trade-off between improved Li capacity and expansion-induced stress. Through dilatometry, we found that solid-state lithiation led to filling of the electrode pores through silicon expansion. This swelling changed the SEI formation process and accessibility of the silicon compared to an electrochemically lithiated electrode. Indeed, optimal prelithiation to Li 0.82 Si increases the initial C/3 cycling capacity post-SEI formation up to 43%, consistent with deeper Si activation through the electrode bulk. Prelithiation and cycling cells prelithiated beyond Li 0.82 Si results in a state of charge (SOC) close to 100% which facilitates parasitic degradation mechanisms and volume expansion of the Si electrode. The results demonstrate a pathway to modify silicon activation/SEI formation to enable high-energy electrodes.

Musgrove, Amanda L. [Oak Ridge National Laboratory↗
DOE OSTI2024

Silicon-On-Silicon Carbide Platform for Integrated Photonics

Silicon carbide (SiC)'s nonlinear optical properties and applications to quantum information have recently brought attention to its potential as an integrated photonics platform. However, despite its many excellent material properties, such as large thermal conductivity, wide transparency window, and strong optical nonlinearities, it is generally a difficult material for microfabrication. Here, it is shown that directly bonded silicon-on-silicon carbide can be a high-performing hybrid photonics platform that does not require the need to form SiC membranes or directly pattern in SiC. The optimized bonding method yields defect-free, uniform films with minimal oxide at the silicon–silicon–carbide interface. Ring resonators are patterned into the silicon layer with standard, complimentary metal–oxide–semiconductor (CMOS) compatible (Si) fabrication and measure room-temperature, near-infrared quality factors exceeding 10 5 . The corresponding propagation loss is 5.7 dB cm -1 . The process offers a wafer-scalable pathway to the integration of SiC photonics into CMOS devices.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Methods for forming silicon-silicon oxide-carbon composites for lithium ion cell electrodes

Composite silicon based materials are described that are effective active materials for lithium ion batteries. The composite materials comprise processed, e.g., high energy mechanically milled, silicon suboxide and graphitic carbon in which at least a portion of the graphitic carbon is exfoliated into graphene sheets. The composite materials have a relatively large surface area, a high specific capacity against lithium, and good cycling with lithium metal oxide cathode materials. The composite materials can be effectively formed with a two-step high energy mechanical milling process. In the first milling process, silicon suboxide can be milled to form processed silicon suboxide, which may or may not exhibit crystalline silicon x-ray diffraction. In the second milling step, the processed silicon suboxide is milled with graphitic carbon. Composite materials with a high specific capacity and good cycling can be obtained in particular with balancing of the processing conditions.

Anguchamy, Yogesh Kumar↗
DOE OSTI2025

Strength and thermal shock resistance of porous reaction-bonded silicon nitride by direct nitriding of binder jet additively manufactured silicon

The direct nitridation of binder jet additively manufactured silicon to produce porous silicon nitride was explored. The Taguchi Design of Experiments method was used to systematically study the effect of time, temperature, and nitrogen flow rate on the direct nitriding of binder jet additively manufactured silicon to produce porous reaction-bonded silicon nitride (RBSN). Highly porous (61%) samples with high conversion (99%) to silicon nitride were achieved using a thermal profile that utilized two isothermal holds. Further, it was shown that these samples exhibited thermal shock resistance and a low coefficient of thermal expansion. These results indicate that RBSN is readily achievable through additive manufacturing.

Ceramics↗
DOE OSTI2026

Porous reaction-bonded silicon nitride: Size effects for pressureless nitriding of binder jet additively manufactured silicon

The direct nitridation of binder jet additively manufactured silicon to produce porous reaction-bonded silicon nitride was explored to determine the maximum thickness of the sample that could be converted to >99% silicon nitride. The maximum thickness that could be nitrided was investigated by nitriding cubes of increasing physical size on the millimeter scale. Highly porous samples with high conversion ( > 99%) to silicon nitride were achieved in cubes with 35 mm edge length. It was shown that the silicon nitride phase content changes with increasing sample size.

Aguirre, Trevor [ORNL] (ORCID:0000000281469630)↗
DOE OSTI2026

Additively Manufactured Carbon Fiber-Reinforced Siliconized Silicon Carbide Composites Using Carbon Fiber-Reinforced Poly-Ether-Ether-Ketone (PEEK) as a Precursor

Herein, we report a method to additively manufacture carbon fiber-reinforced siliconized silicon carbide composites. The process involves the pyrolysis of a 3D-printed carbon fiber-reinforced poly-ether-ether-ketone (PEEK) composite to produce a porous carbon fiber-reinforced carbon matrix composite preform, which is subsequently infiltrated with molten silicon to obtain a carbon fiber-reinforced siliconized silicon carbide composite. A key aspect of the method is limiting polymer melt flow during pyrolysis of PEEK, which is achieved by thermally annealing the 3D-printed carbon fiber-reinforced PEEK preform in air at a temperature below PEEK’s melting temperature. Rheological and differential scanning calorimetry (DSC) measurements demonstrate that the thermal annealing treatment altered the melting behavior of PEEK, while NMR and FTIR measurements provided a mechanistic explanation for the structural changes responsible for the behavior. It was also found that dimensional changes during pyrolysis were anisotropic with greater shrinkage in the stacking direction of the material.

Yoon, Bola [ORNL] (ORCID:0000000260875373)↗
DOE OSTI2025

High-Throughput In-Line Deposition of Silicon Oxide for Polycrystalline Silicon Passivating Contacts

Polycrystalline silicon passivating contacts rely on an ultrathin (1–2 nm) silicon oxide layer to minimize recombination at the wafer/oxide interface and regulate dopant diffusion. Traditionally formed by thermal or chemical oxidation, this oxide is herein replaced by silicon oxide deposited via aerosol impact-driven assembly (AIDA), enabling high wafer-per-hour throughput and precise thickness control. In this study, we show that AIDA coatings conformally cover planar or textured substrates and achieve a SiO x /poly-Si(n) structure with an implied open-circuit voltage (iV oc = 726 mV) and contact saturation current density (J 0 = 8.8 fA/cm 2 ). Furthermore, annealing AIDA SiO x films at elevated temperatures desorbs hydroxyl groups while the stoichiometry transitions toward SiO 2 , improving passivation quality. Together, these results highlight AIDA’s potential for scalable, high-throughput manufacturing of advanced passivating contacts, offering a cost-effective alternative to conventional low-pressure chemical vapor deposition and plasma-enhanced chemical vapor deposition-based silicon and oxide processes.

TOPcon↗
DOE OSTI2023

Environmental stability of additively manufactured siliconized silicon carbide for applications in hybrid energy systems

A key consideration for the successful operation of hybrid energy systems will be the environmental stability of materials used for their construction, particularly when experiencing service environments containing water vapor at high temperatures. Here, we report results from the characterization of siliconized silicon carbide (Si-SiC) prepared via binder jet additive manufacturing and reactive silicon melt infiltration after being exposed to environments representative of those in solid oxide fuel cell (SOFC) anodes, and to exhaust gases inside a microturbine operating on natural gas. In both cases, it was found that oxide scales formed on the surface and that these scales were dense, continuous, and well-bonded to the substrates, although there was evidence of transverse and longitudinal cracking most likely as a result of mismatches in the thermal expansion of the scale and the substrate. Measured values of the thickness of the oxide scale were compared to those predicted by parabolic oxidation kinetics of silicon, but the potential effects of silica volatilization induced by water vapor, and silica reduction when exposed to hydrogen are discussed. The overall results showed that the oxide scale is expected to be protective under the conditions of hybrid power generation systems.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Direct Prelithiation of Silicon-Based Composite Electrodes via Island-like Thermal Evaporation

Irreversible losses of Li during solid electrolyte interface (SEI) conditioning is a key contributor to the lower specific capacities observed in silicon-containing Li-ion batteries. Herein, thermal evaporation of between 1 and 20 µm of Li onto Si-based composite anodes has been investigated as a prelithiation method to account for such losses. To account for mechanical strain caused by Li-Si alloying during the deposition, a stainless-steel mesh is applied to the electrodes before prelithiation to form “island-like” deposition on the electrode surface. The open circuit potential was also found to decrease as a function of increased Li evaporation, consistent with the potentials of electrochemically prepared LixSi alloys. Prelithiating to account for irreversible Li losses to SEI formation resulted in full cells with a 15.8% increase in initial coulombic efficiency and a 47.8% reduction in irreversible capacity loss after SEI formation cycling. Subsequent C/3 cycling showed up to a 62.9% increase in specific capacity in prelithiated cells. X-ray photoelectron spectroscopy (XPS) revealed differences in the SEI composition that was formed by electrochemical cycling and reactively formed in prelithiated cells upon exposure to Gen2 + 3% FEC electrolyte. The reactively formed SEI from the spontaneous reaction with lithiated silicon was carbonate-rich while the electrochemical SEI formation showed significantly more LiPFx species, which could play a role in overall cycling performance.

Musgrove, Amanda↗
DOE OSTI2025

Surprising Relationship between Silicon Anode Calendar Aging and Electrolyte Components in a Localized High-Concentration Electrolyte System

Although localized high-concentration electrolytes (LHCEs) have been shown to improve the calendar lifetime of silicon anodes, the roles of the electrolyte constituents in calendar aging are not well understood. Here, in this work, we utilize a voltage hold protocol and an LHCE with varying molar ratios of lithium bis(fluorosulfonyl)imide (LiFSI), tetramethylene sulfone (TMS), and 1,1,2,2-tetrafluoroethyl-2,2,3,3-tetrafluoropropyl ether (TTE) to probe the component roles during aging. Interestingly, the estimated calendar lifetime and irreversible lithium losses from the V-hold experiments are independent of the electrolyte formulations. Contrarily, the solid electrolyte interphase (SEI) composition depends on the electrolyte formulation. X-ray photoelectron spectroscopy shows that TMS-coordinated species decompose to form insoluble alkanes and lithium hydroxide (LiOH), while lithium fluoride (LiF) originates from the anion-coordination complex. The SEI composition does not appear to play a significant role in the silicon anode passivity, as measured by parasitic current, suggesting that the SEI-electrolyte interactions dictate the calendar aging mechanisms.

Si anode↗