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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 415 records · Page 23
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Resolving the Heat Generated from ZrO 2 Atomic Layer Deposition Surface Reactions

Abstract In situ pyroelectric calorimetry and spectroscopic ellipsometry were used to investigate surface reactions in atomic layer deposition (ALD) of zirconium oxide (ZrO 2 ). Calibrated and time‐resolved in situ ALD calorimetry provides new insights into the thermodynamics and kinetics of saturating surface reactions for tetrakis(dimethylamino)zirconium(IV) (TDMAZr) and water. The net ALD reaction heat ranged from 0.197 mJ cm −2 at 76 °C to 0.155 mJ cm −2 at 158 °C, corresponding to an average of 4.0 eV/Zr at all temperatures. A temperature dependence for reaction kinetics was not resolved over the range investigated. The temperature dependence of net reaction heat and distribution among metalorganic and oxygen source exposure is attributed to factors including growth rate, equilibrium surface hydroxylation, and the extent of the reaction. ZrO 2 ‐forming surface reactions were investigated computationally using DFT methods to better understand the influence of surface hydration on reaction thermodynamics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Parameterized complex dielectric functions of CuIn 1−x Ga x Se 2 : applications in optical characterization of compositional non‐uniformities and depth profiles in materials and solar cells

Abstract In‐situ spectroscopic ellipsometry (SE) was employed to extract the complex dielectric functions ε = ε 1 + iε 2 over the spectral range of 0.75–6.5 eV for a set of polycrystalline CuIn 1− x Ga x Se 2 (CIGS) thin films with different alloy compositions x = [Ga]/{[In] + [Ga]}. For highest possible accuracy in ε for each CIGS thin film, specialized SE procedures were adopted including (i) deposition to a thickness of ~600 Å on smooth native oxide covered crystal silicon wafers, which minimizes the surface roughness on the film and thus the required corrections in data analysis, and (ii) measurement in‐situ , which minimizes ambient contamination and oxidation of the film surface. Assuming an analytical form for each of the ε spectra for these CIGS films, oscillator parameters were obtained in best fits, and these parameters were fit in turn to polynomials in x . With the resulting database of polynomial coefficients, the ε spectra for any composition of CIGS can be generated from the single parameter, x . In addition to enabling accurate contactless determination of bulk and surface roughness layer thicknesses of CIGS films by high speed multichannel SE, the database enables characterization of the composition and its profile with depth into these films, and even how the depth profile varies spatially within the plane of the films. In this study, depth profile parameters were found to correlate spatially with solar cell performance parameters. As a result, SE provides the capability of contactless compositional analysis of production‐scale CIGS photovoltaic modules at high speed. Copyright © 2016 John Wiley & Sons, Ltd.

Aryal, Puruswottam↗
DOE OSTI2023

Quantifying optical loss of high-voltage degradation modes in photovoltaic modules using spectral analysis

The direct current bias for photovoltaic (PV) modules interconnected in series-strings may include both high voltage negative (“HV-”) and positive (“HV+”) polarity with respect to the electrical ground. Multiple degradation modes, resulting in quantifiable optical loss, were found to occur during HV-/HV+ sequential stress, including corrosion of the external glass surface, encapsulant delamination (at its interfaces with the glass and the PV cell), internal haze formation (resulting from a chemical interaction between the glass and the encapsulant), corrosion and migration of the gridlines, and corrosion of the silicon nitride (Si x N y ) antireflective coating on the cell. The effects of these separate modes were examined using monolithic (e.g., glass or PV cell) and laminated-coupon (glass/encapsulant/glass or glass/encapsulant/cell/encapsulant/backsheet) specimens. Characterizations during and after unbiased accelerated testing at 85°C/85% relative humidity included spectrophotometry, optical microscopy, electron microscopy, and ellipsometry. For some module components (i.e., the glass and the Si x N y coating), the optical performance was determined through iterative analysis of empirical measurements. Concentrating on just their spectral effect, a novel model was then developed to estimate the transfer of light to the PV cell and the return of light from the PV module with simultaneous degradation mechanisms, which was compared with a mini-module previously subjected to HV-/HV+ stress. Here the model suggests that one third of the current loss observed for the mini-module can be attributed to the optical degradation of the packaging materials. The dominant degradation modes include encapsulant delamination and corrosion of the Si x N y coating. Recommendations are given so that the optical model may be improved relative to accelerated testing and validated relative to field aging.

14 SOLAR ENERGY↗
DOE OSTI2014

Comparison of the physical, chemical and electrical properties of ALD Al 2 O 3 on c- and m- plane GaN: Comparison of the physical, chemical and electrical properties of ALD Al 2 O 3 on c- and m- plane GaN

Our study compares the physical, chemical and electrical properties of Al 2 O 3 thin films deposited on gallium polar c- and nonpolar m -plane GaN substrates by atomic layer deposition (ALD). Correlations were sought between the film's structure, composition, and electrical properties. The thickness of the Al 2 O 3 films was 19.2 nm as determined from a Si witness sample by spectroscopic ellipsometry. We measured the gate dielectric was slightly aluminum-rich (Al:O=1:1.3) from X-ray photoelectron spectroscopy (XPS) depth profile, and the oxide-semiconductor interface carbon concentration was lower on c -plane GaN. The oxide's surface morphology was similar on both substrates, but was smoothest on c -plane GaN as determined by atomic force microscopy (AFM). Circular capacitors (50-300 μm diameter) with Ni/Au (20/100 nm) metal contacts on top of the oxide were created by standard photolithography and e-beam evaporation methods to form metal-oxide-semiconductor capacitors (MOSCAPs). Moreover, the alumina deposited on c -plane GaN showed less hysteresis (0.15 V) than on m -plane GaN (0.24 V) in capacitance-voltage (CV) characteristics, consistent with its better quality of this dielectric as evidenced by negligible carbon contamination and smooth oxide surface. These results demonstrate the promising potential of ALD Al 2 O 3 on c -plane GaN, but further optimization of ALD is required to realize the best properties of Al 2 O 3 on m -plane GaN.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Synthesis and Properties of Au Hydride

The generation of chemical species from gases, noble metals and light interacting with localized surface plasmons represents a new paradigm for achieving low energy sustainable reaction pathways. Here, we demonstrate that the dissociation reaction of H 2 meditated by the decay of localized surface plasmons of gold nanoparticles leads to the generation of a new material as detected by a change in the optical properties of the gold nanostructures. The effective permittivity measured by in situ spectroscopic ellipsometry shows a blue-shift of 0.02 eV in the surface plasmon resonance, demonstrating the plausible formation of a metastable gold hydride layer on the surface of nanoparticles following the dissociation of H 2 . The formation of this gold hydride through the interaction of gold with atomic H is supported by first-principles simulations. These calculations do not indicate a significant charge transfer upon hydrogenation of the (111) surface but rather large Friedel charge oscillations within the gold layer. Moreover, our blue-shift is produced by the formation of a hydride leading to changes in critical band gaps in the electronic structure. For a coverage of 11%, the calculated peak of the imaginary part of the ZZ-component of the dielectric tensor undergoes a blue shift of 28 nm from a hydrogen free peak at 574 nm.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Irradiation Effects on Reactor Concrete Structures

As the US Light Water Reactor (LWR) fleet ages, irradiation and environmental effects may degrade concrete structures within the reactor cavity of nuclear power plants (NPPs). Concrete components provide structural support and serve as a containment barrier and radiation shield. Among the most important constituents of concrete are the aggregates and cement paste phases. These two phases deteriorate due to different factors, aggregates swell due to the presence of neutron irradiation, while the cement may lose water due to gamma-ray-induced hydrolysis. The authors will present a series of results from different characterization techniques (i.e. TEM, XRD, XRF, EBSD and ellipsometry) and Fast Fourier Transform (FFT) micro-mechanical simulations using MOSAIC that demonstrates the effects of irradiation, moisture, temperature, and constraint on reactor cavity concrete (RCC). The development of new numerical techniques and understanding of the irradiation effects in concrete are crucial for the assessment and life extension of the NPPs.

Arregui Mena, Jose'↗
DOE OSTI2018

Tuning of Magnetic and Optical Properties of Co{sub 0.8}Zn{sub 0.2}Fe{sub 2}O{sub 4} Spinel Ferrite Thin Films Based on Post Annealing Temperature

This paper is dedicated to deposit zinc substituted cobalt ferrite (Co{sub 0.8}Zn{sub 0.2}Fe{sub 2}O{sub 4}) thin films on glass substrate using electron beam deposition technique. The effect of post annealing temperature on structural, magnetic, and optical properties of thin films has been investigated. Thin films have been characterized using x-ray diffraction (XRD), Raman spectroscopy, atomic force microscopy (AFM), vibrating sample magnetometer (VSM), UV-VIS spectroscopy, and spectroscopic ellipsometry (SE) analysis. The as-deposited thin films are amorphous in nature. After deposition, these thin films post annealed at different temperature ranges from 200 to 500 {sup ∘}C to enhance the crystallinity of films. The film post annealed at 200 {sup ∘}C is also amorphous in nature. As the post annealing temperature increases, the thin films become more crystalline. X-ray diffractometer and Raman analysis confirm the formation of cubical inverse spinel structure of thin films. The saturation magnetization of the thin films decreases with the annealing temperature due to the sites occupancy of cations between tetrahedral and octahedral. The reduction in coercivity is correlated with the anisotropy constant, but the anisotropy value is still high which is suitable to form stable magnetic storage memories. The band gap energy are decreased which is mainly attributed due to increase in grain size of the film. It is noted that the band gap energy of these thin films are higher than that of bulk material, so these may be suggested for use in wide band gap applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Sequential Infiltration Synthesis of Al 2 O 3 in Polyethersulfone Membranes

We report the sequential infiltration synthesis (SIS) of aluminum oxide (Al 2 O 3 ) into polyethersulfone (PES) ultrafiltration (UF) membranes to form hybrid nanocomposites. SIS relies on chemical interactions between precursor vapors and polymer functional groups, and enables nucleation and growth of inorganic materials to controlled depth. Using in situ Fourier-transform infrared spectroscopy and ellipsometry measurements, we demonstrate that trimethylaluminum associates with the sulfonyl groups in PES, extending the library of SIS-modified polymer nanocomposites to a previously undescribed polymer system and new application space: PES UF membranes. Depth-profiled x-ray photoelectron spectroscopy showed that the trimethylaluminum purge time dictates the extent of Al 2 O 3 infiltration. Energy dispersive spectroscopy revealed the differences between SIS and atomic layer deposition in the membranes. Furthermore, this work demonstrates the viability of SIS to access the entire macroporous volume of PES UF membranes.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Polymer-iron oxide hybrid films for controlling electrokinetic properties

Electrokinetic phenomena at polymer-water interfaces are central to technologies for water purification, ion separations, and energy conversion, yet the ability to systematically control polymer surface charge and associated electrokinetic processes remains limited. Here, we demonstrate a simple liquid-phase infiltration (LPI) method to synthesize polymer–metal oxide hybrid films with controllable interfacial properties. Hydroxy-terminated poly(2-vinylpyridine) (P2VP-OH) brushes grafted to silicon substrates were infiltrated with iron nitrate from ethanolic solution, followed by low-temperature thermal treatment to convert the infiltrated precursor into iron oxide. Spectroscopic ellipsometry, X-ray photoelectron spectroscopy, and thermogravimetric analysis confirmed oxide incorporation and hybrid film formation without polymer degradation. Electrokinetic measurements reveal that the hybrid films acquire the electrokinetic properties of the infiltrated oxide, with concentration-dependent streaming potentials and surface conductivities closely matching those of pure iron oxide films. These results establish metal oxide infiltration as a scalable and low-cost strategy for controlling interfacial charge in polymer surfaces. The approach introduces new materials and design parameters for tailoring ion selectivity, transport, and energy conversion, with broad implications for the development of advanced membranes, electrokinetic harvesting devices, and polymer-supported oxide electrodes.

36 MATERIALS SCIENCE↗
DOE OSTI2027

Low thermal budget dopant activation in shallow junctions of implanted Si via Tunable plasma enhanced annealing

Low thermal budget (LTB) annealing has become increasingly critical for shallow junctions as semiconductor devices are scaled down. Plasma Enhanced Annealing (PEA) has emerged as a promising LTB annealing process, however its mechanisms remain unclear. In this study, arsenic and boron implanted silicon wafers were subjected to helium or argon ion bombardment generated by annealing plasmas under controlled ion energies and doses in a home-built annealing reactor. The structural and electrical changes were characterized by four-point probe measurements, secondary ion mass spectrometry, Raman spectroscopy and spectroscopic ellipsometry. A pronounced reduction in sheet resistance, accompanied by a decrease in the damage layer thickness demonstrates the surface selective annealing capability of PEA process. Comparative studies using He and Ar plasmas and related ion bombardment reveal a dependence of activation efficacy on both ion species and the dopant implantation profile. Furthermore, a multi-step annealing mechanism is proposed, consisting of an initial (low dose) structural recovery stage followed by the generation of “extended” defects and concluded at large doses by an enhanced dopant activation. The proposed annealing kinetics are thought to be controlled by ion flux, dose and energy. Finally, these results highlight PEA as an effective, surface-selective, LTB approach for shallow-dopant activation and near surface annealing, and provide mechanistic insights into PEA processes.

dopant activation↗
DOE OSTI2019

Graphene-polyelectrolyte multilayer membranes with tunable structure and internal charge

One great advantage of graphene-polyelectrolyte multilayer (GPM) membranes is their tunable structure and internal charge for improved separation performance. In this study, we synthesized GO-dominant GPM membrane with internal negatively-charged domains, polyethyleneimine (PEI)-dominant GPM membrane with internal positively-charged domains and charge-balanced dense/loose GPM membranes by simply adjusting the ionic strength and pH of the GO and PEI solutions used in layer-by-layer membrane synthesis. A combined system of quartz crystal microbalance with dissipation (QCM-D) and ellipsometry was used to analyze the mass deposition, film thickness, and layer density of the GPM membranes. The performance of the GPM membranes were compared in terms of both permeability and selectivity to determine the optimal membrane structure and synthesis strategy. One effective strategy to improve the GPM membrane permeability-selectivity tradeoff is to assemble charge-balanced dense membranes under weak electrostatic interactions. This balanced membrane exhibits the highest MgCl 2 selectivity (~86%). Another effective strategy for improved cation removal is to create PEI-dominant membranes that provide internal positively-charged barrier to enhance cation selectivity without sacrificing water permeability. Finally, these findings shine lights on the development of a systematic approach to push the boundary of permeability-selectivity tradeoff for GPM membranes.

42 ENGINEERING↗
DOE OSTI2023

Nucleation dependence of atomic layer deposition on diamond surface termination

Surface termination and interfacial interactions are critical for advanced solid-state quantum applications. Here, in this paper, we demonstrate that atomic layer deposition (ALD) can both provide valuable insight on the chemical environment of the surface, having sufficient sensitivity to distinguish between the common diamond (001) surface termination types and passivate these interfaces as desired. We selected diamond substrates exhibiting both smooth and anomalously rough surfaces to probe the effect of morphology on ALD nucleation. We use high resolution in situ spectroscopic ellipsometry to monitor the surface reaction with sub-angstrom resolution, to evaluate the nucleation of an ALD Al 2 O 3 process as a function of different ex and in situ treatments to the diamond surface. In situ water dosing and high vacuum annealing provided the most favorable environment for nucleation of dimethylaluminum isopropoxide and water ALD. Hydrogen termination passivated both smooth and rough surfaces while triacid cleaning passivated the smooth surface only, with striking effectiveness.

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

Epitaxial growth and characterization of magnesium gallate (MgGa 2 O 4 ) thin films by pulsed laser deposition

To advance high power device application of MgGa 2 O 4 , it is imperative to achieve crystalline epitaxial thin films and to observe its materials’ characteristics within a wide range of growth conditions. However, there is no published work on the growth of this promising ultrawide bandgap material till this day. In this study, we report the crystalline growth of MgGa 2 O 4 thin films on c-plane (006) sapphire substrates using the pulsed laser deposition (PLD) technique in a broad range of temperature and oxygen pressure. The temperature range for this crystalline growth was within the temperature range of 300°C to 700°C and a pressure range of 1x10 -1 to 1x10 -3 Torr. Within this parameter range, the structural, chemical, optical, and surface property of MgGa 2 O 4 thin films have been investigated. Specifically, the acquired XRD patterns confirmed the film growth along the [111] preferential crystal orientation in the lattice. Here, the rocking curve measurement of the prominent (222) plane showed an increasing trend of the crystallinity with growth temperature and pressure. Furthermore, the XRD phi (φ) scan demonstrated the six-fold rotational symmetry of the MgGa 2 O 4 films and the epitaxial relationship of 30° between the film and the sapphire substrate. The XPS spectra confirmed the presence of +2 and +3 oxidation state for Mg and Ga respectively, in the films. The direct bandgap of MgGa 2 O 4 films was obtained ~5.27±0.03 eV by analyzing the UV-Vis absorbance spectra using the Tauc equation. The SEM images exhibited a granular surface morphology of the MgGa 2 O 4 films with an increasing trend in the grain size from low to high temperature and pressure. The refractive index and thickness of these films were in the range of ~1.90±0.02 and ~70±2.0 nm, respectively determined by fitting the spectroscopic ellipsometry data.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Atomic layer deposition of CdO and Cd x Zn 1-x O films

Growth of Cd x Zn 1-x O by atomic layer deposition (ALD) is demonstrated at 150 °C using diethylzinc (DEZn), dimethylcadmium (DMCd), and water as the precursors. The relative ratio of the DMCd and DEZn pulses is varied to achieve different compositions ranging from pure CdO to pure ZnO. The crystal structure of CdO is rock salt cubic and that of ZnO is hexagonal, and the alloy from ZnO to at least Cd 0.56 Zn 0.44 O has a hexagonal crystal structure. Transmission electron microscopy confirms polycrystalline grain features and a growth rate of ~2.0 Å cycle-1, while selected area diffraction provides crystallographic information indicating that {111} type planes of the pure CdO ALD film are preferentially oriented to the film surface. Using spectroscopic ellipsometry, the film's optical constants are correlated with elemental composition and crystal structure. Control of these properties allows for tuning of the optical bandgap and index of refraction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

CO 2 -selective membranes containing amino acid salts for CO 2 /N 2 separation

In this paper, facilitated transport membranes comprising polyvinylamine (PVAm) as fixed carrier and different amino acid salts (AAS) as mobile carriers were synthesized for post-combustion capture. The AAS carriers were prepared by deprotonating alanine (Ala), lysine (Lys), and proline (Pro) with 2-(1-piperazinyl)ethylamine (PZEA). CO 2 separation performances of the membranes with these AAS carriers were compared, and the AAS effectiveness to facilitate transport of CO 2 was in the order of PZEA-Pro > PZEA-Lys > PZEA-Ala. Here, the membrane comprising 35 wt.% PVAm and 65 wt.% PZEA-Pro at 57 °C rendered a promising CO 2 permeance of 936 GPU and a CO 2 /N 2 mixed gas selectivity of 193. When the PVAm was reduced to 15 wt.%, i.e., its 20 wt.% was replaced by the mobile carrier of PZEA-Sar (sarcosinate), the permeance further improved to 947 GPU with a remarkable CO 2 /N 2 selectivity of 210. Moreover, thermal gravimetric analysis showed a good thermal stability of the membrane, and membrane stability testing also gave stable transport performance. Furthermore, spectroscopic ellipsometry analysis exhibited a uniform membrane selective layer and an excellent agreement on the membrane thickness of ca. 170 nm measured independently by SEM. In addition, the membranes presented in this paper surpassed both the Robeson upper bound and the modified upper bound, indicating a great potential for CO 2 capture.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

High-throughput screening of multifunctional nanocoatings based on combinations of polyphenols and catecholamines

Biomimetic surface coatings based on plant polyphenols and catecholamines have been used broadly in a variety of applications. However, the lack of a rational cost-effective platform for screening these coatings and their properties limits the true potential of these functional materials to be unleashed. Here, we investigated the oxidation behavior and coating formation ability of a library consisting of 45 phenolic compounds and catecholamines. UV–vis spectroscopy demonstrated significant acceleration of oxidation and polymerization under UV irradiation. We discovered that several binary mixtures resulted in non-additive behavior (synergistic or antagonistic effect) yielding much thicker or thinner coatings than individual compounds measured by ellipsometry. To investigate the properties of coatings derived from new combinations, we used a miniaturized high-throughput strategy to screen 2,532 spots coated with single, binary, and ternary combinations of coating precursors in one run. We evaluated the use of machine learning models to learn the relation between the chemical structure of the precursors and the thickness of the nanocoatings. Formation and stability of nanocoatings were investigated in a high-throughput manner via discontinuous dewetting. 30 stable combinations (hits) were used to tune the surface wettability and to form water droplet microarray and spot size gradients of water droplets on the coated surface. No toxicity was observed against eukaryotic HeLa cells and Pseudomonas aeruginosa (strain PA30) bacteria after 24 h incubation at 37 C. The strategy introduced here for high-throughput screening of nanocoatings derived from combinations of coating precursors enables the discovery of new functional materials for various applications in science and technology in a cost-effective miniaturized manner.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Texture analysis of AGR program matrix materials

We report the fuel form for high-temperature gas-cooled reactors consists of tristructural isotropic (TRISO) particles embedded in a matrix of graphite flake and carbonized resin. The process of overcoating particles prior to compacting yields a circumferential orientation of the graphite flake surrounding the TRISO particles, which is modified to varied extents when overcoated particles are pressed into the final fuel form. As graphite is highly anisotropic, the texture may impact the properties and performance of the fuel. Ellipsometry was used to measure the texture of the matrix for fueled compacts and unfueled “matrix-only” samples. Results indicated local texture related to the spherical particles in compacts associated with overcoating versus a more linear layered structure in “matrix-only” samples.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗