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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Effective medium approximation for the refractive index of stratified metal oxide composites synthesized by atomic layer deposition

Atomic layer deposition (ALD) is a unique method for synthesizing conformal layers with precise composition. It is especially useful for the synthesis of mixed metal oxides for functional materials. One application of interest is the use of ALD for tailoring the refractive index of coatings. In homogeneously distributed composites of metal oxides, the refractive properties can be approximated as the average of the indices of the components. This is known as an effective medium approximation (EMA) and can be used to design the macroscopic properties of composites. ALD produces layered, anisotropic films, so the validity of an EMA in describing these films is not clear. Here, we use optical simulations and experimental characterization of stratified composites of TiO 2 and Al 2 O 3 to study the application of an EMA to the transmission and reflection behavior of ALD-prepared mixed metal oxide thin films. We found that when the characteristic layer thickness is smaller than roughly 10 nm, the optical spectra of theoretical and experimental ALD films match the equivalent theoretical spectra for a material with a refractive index calculated from a simple, compositionally weighted EMA. Hence, this EMA could describe the transmission and reflectance spectra in ALD-derived TiO2–Al 2 O 3 nanolaminates when the films were sufficiently stratified even without thorough characterization of the real layers in the films. As a result, we demonstrated that ALD can be used to prepare effectively homogenous mixed metal oxide films with a predictable, tailorable refractive index of any value between those of the TiO 2 and Al 2 O 3 component materials.

42 ENGINEERING↗
DOE OSTI2024

Controlling Interfacial Charge Separation Energetics and Kinetics

The overall goal is to probe electron transfer kinetics of the Marcus inverted region at interfaces. This project specifically uses a dye‐semiconductor interface with a reversible electron transfer reagent in solution where the semiconductor conduction band and electron transfer reagent ideally have a potential energy difference firmly within the Marcus inverted region. The goals of this project are: (Goal 1) Identify dye design elements that give dyes with low energy ground‐state oxidation potentials while retaining desirable electron transfer kinetics at the semiconductor interface. (Goal 2) Identify dye designs with excited‐state oxidation potentials set to fixed energies through molecular design while the dye ground‐state oxidation potentials are varied to allow for the evaluation of varied electron transfer reagents/redox shuttles (RS) with different free energies for electron transfer. (Goal 3) Within the context of the functionality identified in goals 1 and 2, goal 3 seeks to design dyes with features maximizing charge carrier lifetimes by minimizing recombination losses at metal oxide interfaces with high voltage systems. (Goal 4) Probe electron transfer kinetics in a high voltage‐dye sensitized solar cell with both the oxidized dye and RS firmly within the Marcus inverted region with regard to the TiO2 CB. (Goal 5) Identify tailored sensitizer/redox shuttle pairs with desirable electron transfer kinetics in defined spectral regions capable of “banding off” incident solar irradiation to give high voltage multijunction systems capable of exceeding the Shockley‐Queisser limit and powering catalytic processes.

14 SOLAR ENERGY↗
DOE OSTI2025

Reducing module soiling with scalable and robust photocatalytic coatings

The air-glass interface at the front of a photovoltaic (PV) module reflects approximately 4% of incident light, decreasing the potential power output of the module by the same amount. Today’s modules reduce this loss by adding a low-refractive-index (1.25-1.30) SiO2 coating to the sunward side of the module glass; this antireflection coating recovers approximately 3% of the 4% light that would otherwise be lost. While such antireflection coatings work very well on clean, new modules, they do not inhibit soiling—the accumulation of soilants such as dust, pollen, soot, or other foreign material—on the module glass, and soilants reflect and scatter incident light. An improved coating would serve provide not only an antireflection effect, but also an anti-soiling effect. The goal of this project was to develop such a coating and provide a path for it to be manufactured in the U.S. The project successfully designed and fabricated coatings that provided >3% transmittance gain compared to bare glass (matching the performance of commercial antireflection coatings) and displayed anti-soiling behavior in standard laboratory soiling effects. This was achieved by using a Swift Coat proprietary coating deposition technique, aerosol impact-driven assembly (AIDA), to control the porosity and thus refractive index of coatings of photocatalytic materials—such as TiO2—that would otherwise increase (instead of decrease) reflection. These combined antireflection/anti-soiling coatings passed PV industry standard module reliability tests as well as coating-specific abrasion tests, showing that they have the durability needed for decades in the field. Swift Coat scaled the AIDA hardware and deposition process to make mini-modules that were monitored for nearly two years during field tests administered by a third party, as well as demonstrated scaling to the widths of full-sized modules. The fielded mini-modules outperformed reference modules (with commercial antireflection coatings) in two locations, providing a 1% absolute average performance boost and larger increases during periods of heavier soiling. Swift Coat’s cost analysis indicated a coating manufacturing cost below the sales price of today’s antireflection coatings. More than five module manufacturers sampled and assessed the coatings, and three provided letters of support. The coating developed in this project increases the energy output of PV modules, thereby decreasing the cost per kilowatt-hour of solar energy generated. Cheaper solar electricity benefits the public by accelerating the transition to a stable, affordable, carbon-free energy economy. In addition, for select applications in which PV modules are highly visible—such as on residential rooftops—the coating provides an aesthetic benefit because it stays cleaner than today’s modules. Finally, Swift Coat and its prospective customers are U.S. companies, and successful commercialization of this technology will provide U.S. jobs and a secure solar supply chain.

14 SOLAR ENERGY↗
DOE OSTI2026

High-Efficiency Solar-To-Fuel Photoelectrochemistry in Disordered Photonic Glass Electrodes (Final Technical Report)

This project investigated how photonic glass (PG) photoelectrodes—disordered arrangements of dielectric scatterers—can serve as scalable, tunable platforms for light trapping in photoelectrochemical (PEC) solar-to-fuel systems. By leveraging disorder-driven optical phenomena such as multiple scattering resonances and light localization, PG structures offer an alternative to conventional photonic crystals and inverse opals that require high structural precision. The scientific goals were to twofold: (1) develop approaches to predictive models for high performance PG electrodes based on light absorption simulations, and (2) fabricate, characterize, and optimize PG-based photoelectrodes for solar-to-hydrogen and solar-to-fuel photoelectrochemical applications. To overcome the complexity of ensemble optical simulations for disordered materials, the researchers developed a machine-learning-accelerated emulation of all configurations in the design space. With this approach, PG photoelectrodes based on a TiO2 semiconductor were designed to enhance PEC currents of up to one hundred times higher than the equivalent ultra-thin film photoanodes and several times higher than the equivalent photonic crystal. The research also explored integrated systems for electrochemical hydrogen production based on replacing water oxidation with the specific glycerol oxidation electrocatalysis. Overall, the project outlined an approach to a simple-to-fabricate photoelectrode system to drive photoelectrochemical reactions relevant to solar photochemical energy conversion.

14 SOLAR ENERGY↗
DOE OSTI2026

Photo-Reactive Amine-Based Direct Air Capture and Conversion of CO2

This study presents a novel photochemical approach to direct air capture (DAC) and CO2 conversion, utilizing a ruthenium-modified mesoporous TiO2 composite infused with linear polyethyleneimine (L-PEI) and enhanced by light absorbing and earth abundant titanium nitride (TiN). This light-activated system operates at ambient pressure and addresses long-standing challenges in conventional amine-based thermal reactive carbon capture (RCC), including amine degradation and CO2 slip. Our findings demonstrate that L-PEI effectively stabilizes CO2 adsorption and facilitates high-yield methanation over 50 cycles with a non-flammable forming gas mixture (approximately 5% H2). Comparatively, composites incorporating small-molecule amines exhibited poor stability under illumination, while highly mobilie branched PEI (B-PEI) formulations suffered from significant catalyst deactivation. A technoeconomic analysis suggests that methane synthesis via this platform could be achieved at costs below $5/kg under current electrocatalytic hydrogen pricing. These findings highlight the potential of this approach to enhance energy security by enabling decentralized, scalable fuel production from atmospheric CO2.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Physics of Ultra-High Energy Density Relativistic Plasmas from Ordered Nanostructures

This award funded a four-year program at Colorado State University on the physics of ultra-high energy density plasmas generated by focusing femtosecond, >1021 Wcm-2 laser pulses onto ordered nanowire arrays. We used the ALEPH petawatt-class Ti:Sa laser with its high contrast 400 nm second harmonic beamline to irradiate arrays of Ni and TiO2 nanowires made by template assisted electrodeposition and atomic layer deposition over a wide range of average densities. We met two of the three original project goals: radial ion acceleration via doppler shifted K shell emission, and time and spectrally resolved K shell measurements. The main experimental advance was integrating the Lawrence Livermore National Laboratory (LLNL) TREX ultrafast x-ray streak camera with a suite of spherically bent quartz Bragg crystal spectrometers built using Princeton Plasma Physics Laboratory (PPPL) methodology. This is the first TREX-on-bent-quartz setup fielded at a femtosecond, >1021 Wcm-2 facility. It is now a permanent diagnostic at ALEPH and is offered to the LaserNetUS user community. The program produced three peer reviewed journal articles that acknowledge this award. The platform will continue at the upgraded CSU ATLAS facility, where the ALEPH laser is being upgraded to 2 PW.

Hollinger, Reed [Colorado State University]↗
DOE OSTI2024

Simulation, Structural, Thermal and Mechanical Properties of the FeTiTaVW High Entropy Alloy

Developing new materials to be applied in extreme environments is an opportunity and a challenge for the future. High entropy alloys are new materials that seem promising approaches to work in nuclear fusion reactors. In this work, FeTaTiVW high entropy alloys were developed and characterized with Molecular Dynamic and Hybrid Molecular Dynamic Monte Carlo simulations. The simulation results show that phase separation originates a lower potential energy per atom and a high level of segregation compared to those of a uniform solid solution. Moreover, the experimental diffractogram of the milled powder shows the formation of a body-centred cubic-type structure and the presence of TiO2. In addition, the microstructure of the consolidated material evidenced three phases: W-rich, Ti-rich, and a phase with all the elements. This phase separation observed in the microstructure agrees with the Hybrid Molecular Dynamic Monte Carlo simulation. Moreover, the consolidated material’s thermal conductivity and specific heat are almost constant from 25 °C to 1000 °C, and linear expansion increases with increasing temperature. On the other hand, specific heat and thermal expansion values are in between CuCrZr and W values (materials chosen for the reactor walls). The FeTaTiVW high entropy alloy evidences a ductile behaviour at 1000 °C. Therefore, the promising thermal properties of this system can be attributed to the multiple phases and systems with different compositions of the same elements, which is exciting for future developments.

Martins, Ricardo (ORCID:0000000177685704)↗
DOE OSTI2025

Transformation of TiN to TiNO Films via In-Situ Temperature-Dependent Oxygen Diffusion Process and Their Electrochemical Behavior

Titanium oxynitride (TiNO) thin films represent a multifaceted material system applicable in diverse fields, including energy storage, solar cells, sensors, protective coatings, and electrocatalysis. This study reports the synthesis of TiNO thin films grown at different substrate temperatures using pulsed laser deposition. A comprehensive structural investigation was conducted by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), Non-Rutherford backscattering spectrometry (N-RBS), and X-ray absorption spectroscopy (XAS), which facilitated a detailed analysis that determined the phase, composition, and crystallinity of the films. Structural control was achieved via temperature-dependent oxygen in-diffusion, nitrogen out-diffusion, and the nucleation growth process related to adatom mobility. The XPS analysis indicates that the TiNO films consist of heterogeneous mixtures of TiN, TiNO, and TiO2 phases with temperature-dependent relative abundances. The correlation between the structure and electrochemical behavior of the thin films was examined. The TiNO films with relatively higher N/O ratio, meaning less oxidized, were more electrochemically active than the films with lower N/O ratio, i.e., more oxidized films. Films with higher oxidation levels demonstrated enhanced crystallinity and greater stability under electrochemical polarization. These findings demonstrate the importance of substrate temperature control in tailoring the properties of TiNO film, which is a fundamental part of designing and optimizing an efficient electrode material.

Cherono, Sheilah↗
NASA NTRS1971

Bulk, rare earth and other trace elements in Apollo 14 and 15 and Luna 16 samples

The chemical abundances were measured by instrumental and radiochemical neutron activation analysis in a variety of lunar specimens. Apollo 14 soils are characterized by significant enrichments of Al2O3, Na2O and K2O and depletions of TiO2, FeO, MnO and Cr2O3 relative to Apollo 11 and to most of Apollo 12 soils. The uniform abundances in 14230 core tube soils and three other Apollo 14 soils indicate that the regolith is uniform to at least 22 cm depth and within approximately 200 m from the lunar module. Two Luna 16 breccias are similar in composition to Luna 16 soils. Four Apollo 15 soils (LM, STA 4, 9, and 9a) have variable compositions. Interelement correlations between MnO-FeO, Sc-FeO, V-Cr2O3 and K2O-Hf negate the hypothesis that howardite achondrites may be primitive lunar matter, argue against the fission hypothesis for the origin of the moon, and precludes any selective large scale volatilization of alkalies during lunar magmatic events.

Laul, J. C.↗
NASA NTRS1971

Mechanism of the oxidation of titanium disilicide.

Study of the oxidation of TiSi2 at temperatures of 300 to 1300 C. Wafers prepared using the techniques of powder metallurgy had densities of 95 to 98% of the theoretical value. On oxidation at temperatures up to 600 C, the polished wafers formed a protective, titania-silica glass. The rate data indicate a complex surface and diffusion-limited mechanism. Above 600 deg C, the oxide consisted of an amorphous SiO2 film with crystalline islands of TiO2 (rutile). From 1000 to 1300 C, parabolic kinetics with an activation energy of 21.3 kcal/mole were observed. These data are consistent with a model in which the rate-determining step is the diffusion of oxygen through the silica film with the simultaneous diffusion of titanium from the substrate to the islands of rutile growing on top of the amorphous silica.

Schwettmann, F. N.↗
NASA NTRS1972

Laser-induced gas breakdown - Spectroscopic and chemical studies.

Discussion of the results of several experimental investigations on laser-induced gas breakdown. The experiments included time-resolved spectroscopy, direct detection of H atoms with a TiO2 probe, and chemical reactions; each of them provided insight into the behavior of the medium at different times. Chemical reactions and explosions have been initiated by the laser beam when a plasma was created. No primary multiphotonic absorption and no macroscopic chemical reactions were observed below the breakdown threshold.

De Montgolfier, PH.↗
NASA NTRS1972

Bulk and rare earth abundances in the Luna 16 soil levels A and D.

Determination of the abundances of major, minor, and trace elements by means of sequential INAA (instrumental neutron activation analysis) in two Luna 16 soils, at levels A (about 7 cm depth) and D (about 30 cm depth). Abundances of the bulk elements in Luna 16 soils generally agree with the values reported by Vinogradov (1971). Elemental abundances of both bulk and trace elements are nearly the same for the two A and D soil levels. Overall, the chemical compositions of the two Luna 16 soils are more closely related to Apollo 11 soil 10084 than to Apollo 12 and 14 soils, with the exception of TiO2 abundances.-

Gillum, D. E.↗
NASA NTRS1972

Bulk, rare earth, and other trace elements in Apollo 14 and 15 and Luna 16 samples.

Measurement of 24 and 34 bulk, minor, and trace elements in lunar specimens by instrumental and radiochemical neutron activation analysis shows greater Al2O3, Na2O, and K2O abundances and higher TiO2, FeO, MnO and Cr2O3 depletions in Apollo 14 soil samples as compared to Apollo 11 samples and to most of Apollo 12 samples. The uniform abundances in 14230 core tube soils and three other Apollo 14 soils indicate that the regolith is uniform to at least 22 cm depth and within about 200 m from the lunar module.

Laul, J. C.↗
NASA NTRS1972

Niobian rutile in an Apollo 14 KREEP fragment.

Niobian rutile was found in a KREEP lithic fragment of basaltic texture. The niobian rutile contains 85.3% TiO2, 7.1% Nb2O5, 2.65% Cr2O3, 0.70% ZrO2, 0.61% SiO2, 0.82% Al2O3 0.61% FeO, 0.52% CaO, 0.22% V2O3 in addition to minor amounts of MnO, MgO, and CeO2. Rare-earth elements were not detected, in contrast with lunar niobian rutile of Marvin (1971). Coexisting minerals in the KREEP fragment are major amounts of plagioclase and orthopyroxene, and minor amounts of olivine, ilmenite, augite, barian K-feldspar, whitlockite, troilite, Ni-Fe, zirkelite, and chromite.

Hlava, P. F.↗
NASA NTRS1972

The Oro Grande, New Mexico, chondrite and its lithic inclusion.

The Oro Grande, New Mexico, U.S.A., chondrite was found in 1971. Electron microprobe analyses and microscopic examination show the following mineralogy: olivine (Fa 19.3 mole %), orthopyroxene (Fs 16.2 mole %), diopside, feldspar (An 13.6 mole %), chlorapatite, whitlockite, kamacite, taenite, troilite, chromite, and an iron-bearing terrestrial weathering product. A bulk chemical analysis of the meteorite shows the following results (weight %): Fe 0.84, Ni 1.46, Co 0.07, FeS 3.62, SiO2 34.18, TiO2 0.14, Al2O3 1.83, Cr2O3 0.55, Fe2O3 21.25, FeO 9.13, MnO 0.31, MgO 21.52, CaO 1.72, Na2O 0.70, K2O 0.08, P2O5 0.25, H2O(+) 2.14, H2O(-) 0.40, C 0.22, sum 100.41. On the basis of composition and texture the Oro Grande meteorite is classified as an H5 chondrite.

Fodor, R. V.↗
NASA NTRS1973

Moessbauer spectroscopic studies of iron-doped rutile.

Moessbauer spectra were obtained of single crystal and powdered samples of rutile (TiO2) doped to about one percent by weight in isotopically enriched iron. It is shown that the oxidation state may be reversibly altered in situ. After reduction, the oxygen neighbors of the dopant ion are apparently shifted to accomodate the larger ferrous ion. The agreement of calculated quadrupole splittings with experimental results suggests that impurities and oxygen vacancies are uniformly distributed in powdered samples, giving the dopant ions an 'ideal lattice' local environment. The differences between the single crystal and powder sample hyperfine parameters are attributed to variations in stoichiometry, charge compensation mechanisms, or other diffusion related parameters.

Stampfl, P. P.↗
NASA NTRS1973

Elasticity of some mantle crystal structures. II.

The single-crystal elastic constants are determined as a function of pressure and temperature for rutile structure germanium dioxide (GeO2). The data are qualitatively similar to those of rutile TiO2 measured by Manghnani (1969). The compressibility in the c direction is less than one-half that in the a direction, the pressure derivative of the shear constant is negative, and the pressure derivative of the bulk modulus has a relatively high value of about 6.2. According to an elastic strain energy theory, the negative shear modulus derivative implies that the kinetic barrier to diffusion decreases with increasing pressure.

Wang, H.↗
NASA NTRS1973

Oxide minerals in lithic fragments from Luna 20 fines.

One hundred seventy-six oxide mineral grains in the Luna 20 samples were analyzed by electron microprobe. Spinel is the most abundant oxide, occurring in troctolite fragments. Next most abundant is ilmenite, which occurs in all rock types except those containing spinel. Chromite also occurs in all rock types except those containing spinel. Minor amounts of ulvospinel, armalcolite, zirkelite, baddeleyite and an unidentified TiO2-rich phase were also found. Spinel grains are predominantly spinel-hercynite solid solutions, commonly with very minor chromite. The Fe/(Fe + Mg) ratio is generally lower than in spinel from Apollo 14 rocks. Chromites in non-mare rocks are similar to those from mare rocks. Ilmenite of mare origin is Mg-poor and Zr-rich compared to non-mare ilmenite; these elements may therefore be useful in determining the origin of ilmenite grains. Phase equilibria considerations suggest that spinel troctolite crystallized from a melt high in alumina; a likely candidate is the high-alumina basalt of Prinz et al. (1973).

Brett, R.↗