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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
NASA NTRS1974

Segregation behavior in a stationary vertical zone with converging interfaces - Pressure-induced segregation effects

Crystal growth and segregation were investigated in a confined vertical melt zone in which the upper solid-melt interface advanced under destabilizing and the lower interface under stabilizing thermal gradients. A technique reported by Kim et al. (1972) was used in the study. The experimental results are discussed, giving attention to interface morphology and growth rate and questions of dopant segregation. Dopant inhomogeneities formed simultaneously in both advancing interfaces can be explained on the basis of pressure induced segregation effects.

Kim, K. M.↗
DOE OSTI2018

Controlling the formation and stability of ultra-thin nickel silicides - An alloying strategy for preventing agglomeration

The electrical contact of the source and drain regions in state-of-the-art CMOS transistors is nowadays facilitated through NiSi, which is often alloyed with Pt in order to avoid morphological agglomeration of the silicide film. However, the solid-state reaction between as-deposited Ni and the Si substrate exhibits a peculiar change for as-deposited Ni films thinner than a critical thickness of t c = 5 nm. Whereas thicker films form polycrystalline NiSi upon annealing above 450 °C , thinner films form epitaxial NiSi 2 films that exhibit a high resistance toward agglomeration. For industrial applications, it is therefore of utmost importance to assess the critical thickness with high certainty and find novel methodologies to either increase or decrease its value, depending on the aimed silicide formation. This paper investigates Ni films between 0 and 15 nm initial thickness by use of “thickness gradients,” which provide semi-continuous information on silicide formation and stability as a function of as-deposited layer thickness. The alloying of these Ni layers with 10% Al, Co, Ge, Pd, or Pt renders a significant change in the phase sequence as a function of thickness and dependent on the alloying element. The addition of these ternary impurities therefore changes the critical thickness t c . Furthermore, the results are discussed in the framework of classical nucleation theory.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Unique p-n Heterostructured Water-Borne Nanoparticles Exhibiting Impressive Charge-Separation Ability

The ecofriendly synthesis of organic semiconductors with heterojunctions is of interest and requires surfactants to stabilize colloidal nanoparticles (NPs) in aqueous solution. The use of conventional surfactants results in p-n heterostructured NPs, in which both p- and n-type semiconductors are phase separated and confined within a core surrounded by the surfactant shell. The performances of these devices, however, are not comparable to those of solid organic semiconductor films. Further efforts are required to understand and control the morphological structure of the nanoparticles to improve their performances. Here, by using a new class of polyethyleneglycol-based surfactant, PEG-C60, we synthesized unique p-n heterostructured water-borne NPs that comprise a p-type semiconductor core and an n-type PEG-C60 shell. We demonstrate that the morphology gives rise to charge separation superior to conventional water-borne NPs. These PEG-C60-based water-borne NPs can, thus, provide a new paradigm in the current field of water-based organic semiconductor colloids.

Water-borne nanoparticles, Water-based colloids, P↗
DOE OSTI2025

Multimodal In Situ Characterization Uncovers Unexpected Stability of a Cobalt Electrocatalyst for Acidic Sustainable Energy Technologies

An accelerated development of durable and affordable sustainable energy technologies is often hindered by a limited understanding of how non-precious materials within these systems degrade. In acidic proton exchange membrane fuel cells and water electrolyzers, metallic cobalt (Co) is considered an unstable component that is often combined with precious metals or other stabilizers. To understand the mechanisms behind Co instability, we employ an experimental platform that quantifies dissolution with on-line inductively coupled plasma mass spectrometry and product formation with electrochemical mass spectrometry during electrochemical testing, along with ex- situ characterization. Under varied conditions (electrocatalysis, time, gas-type saturation, and ion concentration), windows of Co stability are observed that are different than predicted with classical chemical thermodynamics, suggesting new stabilization and degradation mechanisms than previously understood. Notably, Co is active for the hydrogen evolution reaction (HER), with prolonged stability that is ~300 mV different than thermodynamically projected. Additionally, in an oxygenated environment, Co concurrently performs the HER and oxygen reduction reaction (ORR) yet undergoes different morphology changes and dissolution mechanisms. Interestingly, in the absence of electrocatalysis, there is a 22x decrease in dissolution in an oxygen-free environment, proposing a route to decrease Co losses during device shutdown protocols. Lastly, under more extreme operating conditions, Co becomes stable after a substantial amount of dissolution, suggesting that high concentrations of Co 2+ ions in the microenvironment induce the formation of a stable CoHO 2 surface. Altogether, these results can be leveraged to improve the design and development of more robust and cost-effective sustainable energy technologies, as well as promote strategic strategies for prolonged material utilization.

Dissolution↗
DOE OSTI2015

Modulation of polyepoxysuccinic acid on crystallization of calcium oxalate

The influence of polyepoxysuccinic acid (PESA) on the phase composition and crystal morphology of calcium oxalate was investigated in this paper. It was found that the presence of PESA inhibited the growth of the monoclinic calcium oxalate monohydrate (COM) crystal and promoted the nucleation of the tetragonal calcium oxalate dihydrate (COD). In addition, with the increase in PESA concentration, the aggregation of COD crystals was reduced but the particle size was increased. Under the conditions of low calcium-to-oxalate ratio and high CaOx concentration, PESA could not effectively stabilize the formation of COD. Based on molecular dynamic simulations, the adsorption of PESA on CaOx crystal faces was confirmed. - Graphical abstract: Introduction of PESA into crystallization solutions promotes the formation of calcium oxalate dehydrate and modifies the morphology of crystals. - Highlights: • PESA induces the formation of COD at low supersaturation. • Establishment of Ca-rich surface augments the adsorption of PESA. • At Ca/Ox=0.5 PESA cannot induce the formation of COD compared with Ca/Ox=2. • Interaction of PESA with COM faces is stronger than that with COD faces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Correlating the electrocatalytic stability of platinum monolayer catalysts with their structural evolution in the oxygen reduction reaction

Platinum monolayer (Pt ML ) core–shell electrocatalysts for the oxygen reduction reaction (ORR) have attracted great attention because of their exceptional activity and stability for promising practical applications in fuel cells. In this paper, we describe our in-depth investigation of the relationship between the ORR activity and structure of the Pt ML /Pd/C catalyst during the stability test. By virtue of the rotating disk electrode technique, an accelerated degradation test with the potential window of 0.65 to 1.05 V was applied to the Pt ML /Pd/C to interrogate its long-term reliability in the ORR, the change of its electrochemical surface area, and its surface composition and components. The Pt ML /Pd/C catalyst displayed a volcano-like mass/dollar activity profile in the stability test up to 100k cycles. The overall loss of the activity was recorded to be as low as 17% of the initial value. The ORR activity increased in the initial 20k cycles because the freshly prepared Pt ML did not entirely encompass the whole Pd core, but it was integrated to a full coverage with a more stable configuration during the potential cycling owing to its self-healing property. Then, the activity decreased at a much slower rate than the standard Pt/C because the Pd–Pt core–shell structure due to its structural self-retaining property remained intact and impeded the electrochemical Ostwald ripening of the entire particles. Changes in the morphology and configuration of Pt ML were mapped by combining our experimental investigation with model analyses. Finally, the proposed self-healing and self-retaining mechanisms account for the structure-dependent stability in the ORR and play cornerstone roles in formulating ORR core–shell electrocatalysts.

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

Incorporation of Ti in epitaxial Fe2TiO4 thin films

The titanomagnetites (Fe2-xTixO4, x = 1) are a family of reducible spinel-structure oxides of interest for their favorable magnetic, catalytic, and electrical transport properties. To understand the stability of the system during low temperature deposition, epitaxial thin films of Fe2TiO4 were deposited by molecular beam epitaxy on MgO(001) at 250 – 375°C. The homogeneous incorporation of Ti, Fe valence, and film morphology were all found to be strongly dependent on the oxidation conditions at the low substrate temperatures employed. More oxidizing conditions led to phase separation into epitaxial, faceted Fe3O4 and rutile TiO2. Less oxidizing conditions resulted in polycrystalline films that exhibited Ti segregation to the film surface, as well as mixed Fe valence (Fe3+, Fe2+, Fe0). A narrow window of intermediate oxygen partial pressure during deposition yielded nearly homogeneous Ti incorporation and a large fraction of Fe2+. However, these films were poorly crystallized, and no occupation of tetrahedral sites in the spinel lattice by Fe2+ was detected by x-ray magnetic circular dichroism at the Fe L-edge. After vacuum annealing, a small fraction of Fe2+ was found to occupy tetrahedral sites. Comparison of these results with previous work suggests that the restriction of the deposition conditions to low temperature by the MgO substrate limits the incorporation of Ti into the spinel lattice. This work suggests a path towards obtaining stoichiometric, well-crystallized Fe2TiO4 by MBE by utilizing high substrate temperature and low oxygen partial pressure during deposition on temperature-stable substrates.

Kaspar, Tiffany C.↗
DOE OSTI2017

Mechanism of γ-irradiation induced phase transformations in nanocrystalline Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} ceramics

The structural, infrared absorption and magnetic property transformations in nanocrystalline Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} samples irradiated with different doses (0, 15, 25 and 50 kGy) of γ-irradiation were investigated in this work and a mechanism of phase transformation/decomposition is provided based on the metastable nature of the Mn-atoms in the spinel lattice. The nano-powder sample was prepared by solution combustion route and the pellets of the sample were exposed to γ-radiation. Up to a dose of 25 kGy of γ-radiation, the sample retained the single phase cubic spinel (Fd-3m) structure, but the disorder in the sample increased. On irradiating the sample with 50 kGy γ-radiation, the spinel phase decomposed into new stable phases such as α-Fe{sub 2}O{sub 3} and ZnFe{sub 2}O{sub 4} phases along with amorphous MnO phase, leading to a change in the surface morphology of the sample. Along with the structural transformations the magnetic properties deteriorated due to breakage of the ferrimagnetic order with higher doses of γ-irradiation. Our results are important for the understanding of the stability, durability and performance of the Mn-Zn ferrite based devices used in space applications. - Graphical abstract: The nanocrystalline Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} ceramic sample transforms to crystalline α-Fe{sub 2}O{sub 3} and ZnFe{sub 2}O{sub 4} phases (and amorphous MnO phase) at a γ-irradiation dose of 50 kGy, as MnO goes out of the spinel lattice. The high energy γ-irradiation causes structural damage to the nanomaterials leading to change in morphology of the sample as seen in the SEM images. - Highlights: • Mn atoms are more unstable in the Mn-Zn ferrite spinel lattice than Zn-atoms. • Displacement of Mn atoms by γ-radiation from the lattice renders phase transformation. • In Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4}, Mn-ferrite cell transforms to crystalline α-Fe{sub 2}O{sub 3} and amorphous MnO. • The stable ZnFe{sub 2}O{sub 4} phase retains its structure even after 50 KGy γ-irradiation. • The γ-irradiation degrades the magnetic properties of Mn{sub 0.5}Zn{sub 0.5}Fe{sub 2}O{sub 4} ceramics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Ensuring combination of strength, ductility and toughness in medium-manganese steel through optimization of nano-scale metastable austenite

Highlights: • Medium-Mn steel was innovatively designed for medium to heavy steel plates. • Three intercritical annealing processes were adopted to ensure TRIP effect. • Austenite-martensite submicro-laminate structure was obtained after annealing. • The reversed austenite with different stability led to improved ductility. • TRIP effect induced by metastable austenite contributed excellent impact properties. - Abstract: Medium-Mn steel was innovatively designed in terms of alloying elements for medium to heavy steel plates to obtain combination of high strength, good ductility, and excellent low temperature toughness. Martensite was the dominant microstructure in the directly quenched steel plate because of high hardenability obtained by the addition of 5.6 wt% Mn. Three intercritical annealing processes were adopted to ensure transformation-induced-plasticity (TRIP) effect through optimization of the volume fraction, morphology, and C and Mn-enriched reversed austenite. On annealing, the dislocation density of martensite plate was decreased because of recovery and recrystallization, and metastable austenite film nucleated at the interface. Both thermal and mechanical stability of austenite decreased with increase in annealing temperature. The high yield strength of 840 MPa, good elongation after fracture of 24.3%, and excellent toughness at − 60 °C of 130.3 J was obtained at intermediate annealing temperature of 650 °C, and the volume fraction of reversed austenite at room temperature and − 80 °C was 22% and 17%, respectively. The reversed austenite exhibited different stability with increased tensile strain, leading to improved ductility and delayed necking. Moreover, the crack initiation energy and crack propagation energy were increased via dynamic stress partitioning and relaxation together with the transformation of metastable austenite. Thus, significant degree of TRIP effect induced by moderate stability of austenite played an important role in governing mechanical properties.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2018

Barrier Design to Prevent Metal-Induced Degradation and Improve Thermal Stability in Perovskite Solar Cells

Metal-contact-induced degradation and escape of volatile species from perovskite solar cells necessitate excellent diffusion barrier layers. We show that metal-induced degradation limits thermal stability in several perovskite chemistries with Au, Cu, and Ag gridlines even when the metal is separated from the perovskite by a layer of indium tin oxide (ITO). Channels in a sputtered ITO layer that align with perovskite grain boundaries are pathways for metal and halide diffusion into or out of the perovskite. Planarizing the perovskite morphology with a spin-cast organic charge-transport layer results in a subsequently deposited ITO layer that is uniform and impermeable. We show that it is critical to seal the edges of the active layers to prevent escape of volatile species. We demonstrate 1000 h thermal stability at 85 °C in CH 3 NH 3 PbI 3 solar cells with complete-coverage silver contacts. Lastly, our barrier layer design enables long-term thermal stability of perovskite solar cells, a critical step to commercialization.

14 SOLAR ENERGY↗
DOE OSTI2016

Nanoscale morphology of Ni{sub 50}Ti{sub 45}Cu{sub 5} nanoglass

Nanoglasses are noncrystalline solids with a granular nano-/microstructure. In contrast to their nanocrystalline analogs, typically constituted of grains and grain boundaries, nanoglasses consist of glassy regions with a structure corresponding to melt-quenched glasses and amorphous interfaces characterized by a reduced density. Their unique properties can be controlled by modifying size and chemical composition of the granular and interfacial regions. Ni{sub 50}Ti{sub 45}Cu{sub 5} amorphous films were obtained by magnetron sputtering and analyzed to determine their nanoscale morphology and the formation mechanisms. The nanoglasses were noted to have a hierarchical nano-columnar structure with the smallest Ni-rich (Ni:Ti ratio of ca. 5:3) amorphous columns with diameters of about 8 nm and Ti-rich glassy interfacial regions with a substantially lower density. The results were obtained utilizing X-ray diffraction and different microscopic methods, e.g., atomic force microscopy and transmission electron microscopy. A detailed analysis indicates the complexity of the formation mechanisms of topologically and chemically distinguishable structural units with curvature driven surface diffusion, surface mobility, self-shadowing and internal stresses as the most important parameters. Common and simple synthesis method and the possibility for easy modification of the morphology and, consequently, the physical properties offer an opportunity for intensive studies of this new class of materials, opening the way towards possible applications. - Highlights: • Ni{sub 50}Ti{sub 45}Cu{sub 5} thin film nanoglasses were synthesized by magnetron sputtering. • Ti amorphous interfacial phase with reduced density is observed. • Stabilization of interfaces by specific local thermodynamic conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Effect of non-solvent from the phase inversion method on the morphology and performance of the anode supported microtubular solid oxide fuel cells

The microstructure of the anode in anode-supported solid oxide fuel cells has significant influence on the cell performance. Here, microtubular Ni-yttria stabilized zircona (Zr 0.8 Y 0.2 O 2 , YSZ) anode support has been prepared by the phase inversion method. Different compositions of non-solvent have been used for the fabrication of the Ni-YSZ anode support, and the correlation between non-solvent composition and characteristics of the microstructure of the anode support has been investigated. The presence of ethanol or isopropanol in the non-solvent can inhibit the growth of the finger-like pores in the anode support. With the increase of the concentration of ethanol or isopropanol in the non-solvent, a thin dense layer can be observed on the top of the prepared tubular anode support. In addition, the mechanism of pore formation is explained based on the inter-diffusivity between the solvent and the non-solvent. Lastly, the prepared microtubular solid oxide fuel cells (MT-SOFCs) have been tested, and the influence of the anode microstructure on the cell electrochemical performance is analyzed based on a polarization model.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Characteristics of Non-Fullerene Acceptor-Based Organic Photovoltaic Active Layers Using X-ray Scattering and Solid-State NMR

With the recent development of non-fullerene acceptors, power conversion efficiencies of bulk-heterojunction organic solar cells have exceeded 18%. The morphology of the BHJ active layer, including packing, ordering, orientation, and phase behavior of the donor(s) and acceptor(s), plays critical roles in determining the device performance. We characterized the morphology of active layers consisting of mixtures of a PTB7/PTB7-Th (donor) and ITIC (acceptor) using grazing incidence wide-angle X-ray scattering, resonant soft X-ray scattering, and solid-state nuclear magnetic resonance (ssNMR) to correlate the morphology with device performance. PTB7-Th/ITIC shows a better device performance than that of PTB7/ITIC due to a smaller π-πstacking distance and smaller domain size of the phase separated morphology. One of PTB7/ITIC samples, processed from mixed solvents (chlorobenzene/benzene = 1:1 by volume), shows a possible partial miscibility and smaller domain size as revealed by ssNMR T 1ρ relaxation times, which is detrimental to device performance. ssNMR results showed that ITIC could crystallize into different forms depending on processing conditions, which may have implications on the manufacturing of devices using it as an ingredient, as well as its long-term stability in service.

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

Ni/CeO 2 Nanocatalysts with Optimized CeO 2 Support Morphologies for CH 4 Oxidation

Catalytic oxidation of CH 4 over nonprecious Ni/CeO 2 catalysts has attracted wide attention. Controlling the morphology of a CeO 2 support can enhance the CH 4 oxidation activity without changing the catalyst composition. Here, in this paper, a series of 2 wt % Ni/CeO 2 nanocatalysts with different CeO 2 support morphologies (nanoparticles (P), rods (R), cubes (C)) and synthetic procedures (precipitation, sol-gel (SG)) were evaluated for their CH 4 oxidation performance. The redox properties of CeO 2 supports and corresponding Ni loaded catalysts were characterized by H 2 -temperature-programmed reduction and oxygen storage capacity (OSC) measurements. The relationship among the CeO 2 morphologies, surface areas, redox properties, and CH4 oxidation activity for both CeO 2 supports and Ni/CeO 2 catalysts was established. The findings suggest that CeO 2 -R has a greater amount of surface oxygen vacancies as well as an improved OSC and CH4 oxidation activity compared to CeO 2 -P and CeO 2 -C supports. The same CH 4 oxidation activity pattern was observed for the Ni containing catalysts (Ni/CeO 2 -R > Ni/CeO 2 -P > Ni/CeO 2 -C). Increasing the CeO 2 surface area by using a sol-gel synthesis method (CeO 2 -SG) improved the amount of surface oxygen vacancies and CH 4 oxidation performance of CeO 2 -SG and Ni/CeO 2 -SG compared to CeO 2 -R and Ni/CeO 2 -R, respectively. Finally, all studied Ni/CeO 2 nanocatalysts showed improved hydrothermal stability compared to conventional Pd/Al 2 O 3 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1990

Morphological instability in a float zone

This paper examines the morphological instability of the freezing interface of the float zone in a crystal sheet for which the height of the liquid zone L = Lf + Lm (where Lf and Lm are the planar positions of the solidifying and melting interfaces) is smaller than the width and the thickness of the sheet. The Lf and Lm positions are calculated, and basic state concentration profiles are determined for a planar interfacial system. A linear stability analysis of this system is performed showing that the growth rate of disturbances is a modified version of the growth rate for a directional solidification system. It was found that shorter melt zone configurations are less susceptible to long wavelength morphological instability, indicating that, to suppress morphological instability in a float zone system, it is necessary to decrease the liquid zone height.

Humphreys, Laura B.↗
DOE OSTI2024

Metasurface‐Based Mueller Matrix Microscope

In conventional optical microscopes, image contrast of objects mainly results from the differences in light intensity and/or color. Muller matrix optical microscopes (MMMs), on the other hand, can provide significantly enhanced image contrast and rich information about objects by analyzing their interactions with polarized light. However, state-of-the-art MMMs are fundamentally limited by bulky and slow polarization state generators and analyzers. Here, the study demonstrates a metasurface-based MMM, i.e., Meta-MMM, which is equipped with a chip-integrated, single-shot metasurface polarization state analyzer (Meta-PSA). The Meta-MMM is featured with high-speed measurement (≈2s per Muller matrix (MM) image), superior operation stability, dual-color operation, and high measurement accuracy (measurement error 1–2%) for MM imaging. The Meta-MMM is applied to nanostructure characterization, surface morphology analysis, and discovering birefringent structures in honeybee wings. As a result, the Meta-MMMs hold the promise to revolutionize various applications from biological imaging, medical diagnosis, and material characterization to industry inspection and space exploration.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Engineering Supramolecular Hybrid Architectures with Directional Organofluorine Bonds

Understanding how chemical modifications alter the atomic‐scale organization of materials is of fundamental importance in materials engineering and the target of considerable efforts in computational prediction. Incorporating covalent and noncovalent interactions in designing crystals while “piggybacking” on the driving force of molecular self‐assembly has augmented efforts to understand the emergence of complex structures using directed synthesis. In this work, microcrystalline powders of the silver 2‐, 3‐, and 4‐fluorobenzenethiolates are prepared and their structures are resolved by small‐molecule serial femtosecond X‐ray crystallography. These three compounds enable the emergence and role of supramolecular synthons in the crystal structures of 3D metal‐organic chalcogenolates to be examined. The unique divergence in their optoelectronic, morphological, and structural behaviors is assessed. The extent of CHF interactions and their influence on the structure and the observed trends in the thermal stability of the crystals are quantified through theoretical calculations and thermogravimetric analysis.

Kotei, Patience A.↗