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Results for “Grazing incidence”

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 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Effects of the Chodura sheath on tungsten ionization and emission in tokamak divertors

The decay of the electric potential in the sheath region in tokamak divertors occurs on a scale length on the order of the main ion gyroradius (Chodura sheath) due to magnetic fields lines intersecting the divertor plates at grazing incidence. As a consequence, high-Z impurities like tungsten ionize within the sheath region in attached plasma conditions. The modification of the electron distribution in the sheath region must thus be taken into account to accurately model ionization and emission of impurities within the sheath region. To that end, an analytical expression of the distribution of the vertical ionization path for impurities sputtered from divertor plasma-facing components is derived. This expression is then used to estimate the fraction of neutral impurities ionizing within the sheath and the average vertical ionization path, and to derive an effective SXB (the number of ionizations per emitted photon) coefficient which includes the effects of the variation of the electron distribution in the sheath region. These results are applied to tungsten impurities sputtered from divertor plates. It is shown that the SXB coefficient for neutral tungsten is significantly reduced in high-density attached divertor plasma conditions (n e ≳ 5 × 10 13 cm -3 ) because of the ionization of neutral tungsten well within the sheath region.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Unraveling the Photovoltaic, Mechanical, and Microstructural Properties and Their Correlations in Simple Poly(3‐pentylthiophene) Solar Cells

Abstract The power conversion efficiency of polythiophene organic solar cells is constantly refreshed. Despite the renewed device efficiency, very few efforts have been devoted to understanding how the type of electron acceptor alters the photovoltaic and mechanical properties of these low‐cost solar cells. Herein, the authors conduct a thorough investigation of photovoltaic and mechanical characteristics of a simple yet less‐explored polythiophene, namely poly(3‐pentylthiophene) (P3PT), in three different types of organic solar cells, where ZY‐4Cl, PC 71 BM, and N2200 are employed as three representative acceptors, respectively. Compared with the reference poly(3‐hexylthiophene) (P3HT)‐based solar cells, P3PT‐based devices, all perform more efficiently. Particularly, the P3PT:ZY‐4Cl blend exhibits the highest efficiency (ca. 10%) among the six combinations and outperforms the prior top‐performance system P3HT:ZY‐4Cl. Furthermore, the blend films based on N2200 exhibit a high crack‐onset strain of ∼38% on average, which is approximately 15‐ and 17‐times higher than those of ZY‐4Cl and PC 71 BM, respectively. The microstructural origins for the above difference are well elucidated by detailed grazing incidence X‐ray scattering and microscopy analysis. This work not only underlines the potential of P3PT in prolific solar cell research but also demonstrates the superior tensile properties of polythiophene‐based all‐polymer blends for the preparation of stretchable solar cells.

Polymer Science↗
DOE OSTI2022

Benzimidazolone-Dioxazine Pigments-Based Conjugated Polymers for Organic Field-Effect Transistor

Molecules based on benzimidazolone-dioxazine are known as blue/violet pigments and have been commercialized for decades. However, unfavorable solubility limits the application of these structures as building blocks of conjugated polymers despite their low band gaps. Herein, a series of donor–acceptor conjugated polymers containing soluble benzimidazolone-dioxazine structures as the acceptors and oligothiophene as donors are synthesized and investigated. With increasing numbers of thiophene rings, the steric hindrance diminishes and high molecular weight polymers can be achieved, leading to an improved performance in organic field effect transistor devices. The hole mobility of polymers with three to six thiophene units is in the order of 10 -1 cm2 V -1 s -1 . Among all the polymers, polymer P3 with three thiophene units between benzimidazolone-dioxazine structures shows the best hole mobility of 0.4 cm2 V -1 s -1 . Grazing-incidence wide-angle X-ray scattering results reveal that the high mobility of organic field-effect transistors (OFETs) can be accredited by matched donor–acceptor packing in the solid thin films.

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

Alignment frustration in block copolymer films with block copolymer grafted TiO 2 nanoparticles under soft-shear cold zone annealing

Block copolymers (BCPs) have received significant attention as promising candidates for sequestering nanoparticles and fabrication of aligned nanostructures with optimal optical or electrical properties. We investigate the influence of static and dynamic thermal field on the alignment of polystyrene-block-poly(methyl methacrylate) (PS-b-PMMA) BCP morphology with the loading of novel poly(methyl methacrylate-block-Polystyrene) (PMMA-b-PS)-grafted-TiO 2 nanoparticles (BCP-g-TiO 2 ). Observation of characteristics IR peaks for PMMA and PS in BCP-g-TiO 2 nanoparticles and Transmission Electron Microscopy (TEM) results of the outer coating of core nanoparticle, validate the grafting to approach in synthesizing BCP-g-TiO 2 . In this work, we report that under the sharp dynamic thermal field, at low loading of BCP-g-TiO 2 , there is good dispersion of nanoparticles in unidirectionally aligned BCP matrix in film interior probed by GISAXS, while, at high nanoparticle loading (~10 wt%), there is local frustration in the unidirectional alignment of the BCP matrix due to aggregation of BCP-g-TiO 2 nanoparticles. However, Grazing incidence small angle X-ray scattering (GISAXS) shows clearly that the BCP films remain largely locally ordered at the domain scale, despite these large perturbations to long-range ordering even at high loading level, while bringing in new TiO 2 functionality to the BCP films, such as UVO absorptivity or biofouling prevention, important to potential new applications of such membranes.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Mixed Nanosphere Assemblies at a Liquid–Liquid Interface

The in-plane packing of gold (Au), polystyrene (PS), and silica (SiO 2 ) spherical nanoparticle (NP) mixtures at a water–oil interface is investigated in situ by UV–vis reflection spectroscopy. All NPs are functionalized with carboxylic acid such that they strongly interact with amine-functionalized ligands dissolved in an immiscible oil phase at the fluid interface. This interaction markedly increases the binding energy of these nanoparticle surfactants (NPSs). The separation distance between the Au NPSs and Au surface coverage are measured by the maximum plasmonic wavelength (λ max ) and integrated intensities as the assemblies saturate for different concentrations of non-plasmonic (PS/SiO 2 ) NPs. Further, as the PS/SiO 2 content increases, the time to reach intimate Au NP contact also increases, resulting from their hindered mobility. λ max changes within the first few minutes of adsorption due to weak attractive inter-NP forces. Additionally, a sharper peak in the reflection spectrum at NP saturation reveals tighter Au NP packing for assemblies with intermediate non-plasmonic NP content. Grazing incidence small angle X-ray scattering (GISAXS) and scanning electron microscopy (SEM) measurements confirm a decrease in Au NP domain size for mixtures with larger non-plasmonic NP content. The results demonstrate a simple means to probe interfacial phase separation behavior using in situ spectroscopy as interfacial structures densify into jammed, phase-separated NP films.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Correlation of Processing and Structure in an Ethylene‐Glycol Side‐Chain Modified Polythiophene via Combined X‐Ray Scattering and 4D Scanning Transmission Electron Microscopy

The results of a combined grazing incidence wide-angle X-ray scattering (GIWAXS) and 4D scanning transmission microscopy (4D-STEM) analysis of the effects of thermal processing on poly(3[2-(2-methoxyethoxy)ethoxy]-methylthiophene-2,5-diyl) are reported, a conjugated semiconducting polymer used as the active layer in organic electrochemical transistor devices. GIWAXS provides a measure of overall crystallinity in the film, while 4D-STEM produces real-space maps of the morphology and orientation of individual crystallites along with their spatial extent and distribution. The sensitivity of the 4D-STEM detector allows for collection of electron diffraction patterns at each position in an image scan while limiting the imparted electron dose to below the damage threshold. In conclusion, the effects of heat treatment on the distribution and type of crystallites present in the films is determined.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Ruddlesden–Popper Perovskites with Narrow Phase Distribution for Air-Stable Solar Cells

2D Ruddlesden-Popper perovskites have risen to prominence as stable and efficient photovoltaic materials because of their structural diversity, rich photophysics, and low moisture ingression. However, thin films processed from stoichiometric precursor solutions possess a broad phase distribution of different number of inorganic layers with random crystal orientation, crippling device performance. The effect of methylammonium chloride (MACI) and 3-amino4-phenolsulfonic acid (APSA) on the fabrication of perpendicularly oriented (PEA) 2 MA 4 Pb 5 I 16 films with narrow phase distribution using antisolvent and hot-casting processing techniques is investigated. MACI plays a critical role in suppressing parasitic n ≤ 2 and 3D-like phases. APSA performs the dual function of trap passivation and further narrowing phase polydispersity through strong coordination with Pb 2+ . Ex situ grazing-incident wide-angle X-Ray scattering (GIWAXS) and ultrafast spectroscopic characterization reveal uniformly mixed-phase distribution with disordered orientation in antisolvent treated films, while additive-assisted hot-casting treatment results in oriented, reverse-graded phase distribution, i.e., small-n on the film surface and large-n at the bottom. Arising thin films enable efficient p-i-n solar cells with an efficiency of 14.34%, and a V oc of 1.20 V, retaining 96% initial efficiency after 1440 h under ambient conditions (RH = 50-60%) without encapsulation.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Revealing the Crystallization Pathways of Mixed‐Halide Low‐Dimensional Perovskites: A First Step Toward Solar Cell Applications

Ruddlesden–Popper perovskites (RPPs) are promising materials for optoelectronic devices. While iodide‐based RPPs are well‐studied, the crystallization of mixed‐halide RPPs remains less explored. Understanding the factors affecting their formation and crystallization are vital for optimizing morphology, phase purity, and orientation, which directly impact device performance. Here, we investigate the crystallization and properties of mixed‐halide RPPs (PEA) 2 FA n−1 Pb n (Br 1/3 I 2/3 ) 3n + 1 (PEA = C 6 H 5 (CH 2 ) 2 NH 3 + and FA = CH(NH 2 ) 2 + ) (n = 1, 5, 10) using DMSO ((CH 3 ) 2 SO) or NMP (OC 4 H 6 NCH 3 ) as cosolvents and MACl (MA = CH 3 NH 3 + ) as an additive. For the first time, the presence of planar defects in RPPs is directly observed by in situ grazing‐incidence wide‐angle X‐ray scattering (GIWAXS) and confirmed through the simulation of the patterns that matched the experimental. GIWAXS data also reveals that DMSO promotes higher crystallinity and vertical orientation, while MACl enhances crystal quality but increases halide segregation, shown here by nano X‐ray fluorescence (nano‐XRF) experiments. For low‐n RPPs, orientation is crucial for solar cell efficiency, but its impact decreases with increasing n. Our findings provide insights into optimizing mixed‐halide RPPs, guiding strategies to improve crystallization, phase control, and orientation for better performance not only in solar cells but also in other potential optoelectronic devices.

Guaita, Maria G D↗
DOE OSTI2019

Role of oxygen concentrations on structural and optical properties of RF magnetron sputtered ZnO thin films

We report an investigation on the effect of oxygen flow rate on the structural and optical properties of zinc oxide thin films prepared by RF magnetron sputtering. The structural measurements were carried using grazing incidence X-ray diffraction, atomic force microscopy and Raman spectroscopy. The role of oxygen partial pressure on the crystallinity, the surface morphology and vibrational modes has been established. The optical properties of the films were investigated using FR-Basic-VIS/NIR fitted with FR-Monitor software for film thickness, refractive index and color determination. The film thickness is observed to increase when oxygen is introduced at 4 sccm but eventual decrease with increase in the flow rate an indication of initial increase in rate of deposition followed by reduction. Elaborate explanations of these trends are provided.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Ion Beam Figuring System for Synchrotron X-Ray Mirrors Achieving Sub-0.2-µrad and Sub-0.5-nm Root Mean Square

Abstract Optics with high-precision height and slope are increasingly desired in numerous industrial fields. For instance, Kirkpatrick–Baez (KB) mirrors play an important role in synchrotron X-ray applications. A KB system is composed of two aspherical, grazing-incidence mirrors used to focus an X-ray beam. The fabrication of KB mirrors is challenging due to the aspherical departure of the mirror surfaces from base geometries and the high-quality requirements for slope and height residuals. In this paper, we present the process of manufacturing an elliptical cylinder KB mirror using our in-house-developed ion beam figuring (IBF) and metrology technologies. First, the key aspects of figuring and finishing processes with IBF are illustrated in detail. The effect of positioning error on the convergence of the residual slope error is highlighted and compensated. Finally, inspection and cross-validation using different metrology instruments are performed and used as the final validation of the mirror. Results confirm that relative to the requested off-axis ellipse, the mirror has achieved 0.15-µrad root mean square (RMS) and 0.36-nm RMS residual slope and height errors, respectively, while maintaining the initial 0.3-nm RMS microroughness.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Grid-assisted magnetron sputtering deposition of nitrogen graded TiN thin films

Titanium Nitride (TiN) films were obtained using the grid-assisted magnetron sputtering deposition technique on Al substrates in two conditions: under constant and variable nitrogen concentration along the thin solid film thickness. The formation of a film with variable N concentration (herein referred as graded film) was confirmed using energy filtered transmission electron microscopy, X-ray photoelectron spectroscopy and grazing incidence X-ray diffraction. The TiN thin films microstructures were also analysed using scanning and transmission electron microscopies (SEM and TEM). Finally, the viability of synthesizing TiN thin films with variable N concentration is herein proposed as an alternative method for tailoring the properties of such functional coating materials.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Electrocatalytic benchmarking of ruthenium-based bimetallic anodes for the electrocatalytic oxidation of biomass-derived wastewater

In this paper, we report on the synthesis, characterization, and use of ruthenium oxide (RuO 2 ) doped with a secondary metal (M2) to enhance electrochemical activity and stability for the electrocatalytic oxidation (ECO) of biomass-derived wastewaters. We used different electrochemical methods such as cyclic voltammetry (CV), electrochemical surface area (ECSA), and Tafel analysis as well as physical characterization such as grazing incidence X-ray diffraction, X-ray photoelectron spectroscopy, and scanning electron microscopy to understand how the introduction of M2 affects electrochemical performance. Our results show that including an M2 improves the ECO performance regardless of the composition of the electrolyte. Specifically, we saw increase in ECSA, which could be due to enhanced charge transfer for the pH ranges evaluated. Furthermore, the introduction of organic compounds in wastewater generated during the hydrothermal liquefaction of food waste affected the ECO performance differently, depending on M2, the electrolyte composition, and anodic half-cell potential, highlighting the need to properly control the reaction conditions when testing and characterizing the electrocatalysts under different reaction regimes. We developed an in situ electrocatalytic benchmarking protocol, Boruah – Lopez-Ruiz – Strange (BLoRS), to quickly assess if the presence of M2 improves the ECO performance; thus, saving time and resources in ex situ characterization, testing, and product analysis. This foundational work provides the basis for characterization and benchmarking of electrodes of the ECO of organic compounds.

Electrocatalysis↗
DOE OSTI2022

Microstructural dependence of defect formation in iron-oxide thin films

In this report passivating iron-oxide films are grown atop iron films simulating the corrosion process in a nuclear reactor environment. Two oxide films grown via physical vapor deposition at 600 °C and room temperature exhibited dense-epitactic and columnar-polycrystalline, microstructures respectively. A third oxide film grown in open air at 600 °C exhibited an eqiuaxed, porous morphology. Cubic maghemite and magnetite phases in each oxide film were identified via grazing incidence X-ray diffraction. Positron annihilation spectroscopy was used to characterize point defects and measure their depth and size distributions in each oxide layer and showed a range of average positron lifetimes from 0.23 ns in the high temperature, vapor deposited film, 0.35 ns in the room temperature-grown film, and 0.31 ns in the thermally grown oxide. These data indicate that the film morphology, which varies greatly in these films, leads to very different defect content. Finally, four-dimensional scanning transmission electron microscopy was used to measure the internal stress of each film and was correlated to the strain state presented in the X-ray diffraction spectra. The defect formation in each film is reasoned through using a thin film growth model.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Diethylenetriamine-functionalized graphene oxide: Insights into ion adsorption and applications in rare earth element separation

The growing demand for critical minerals and materials requires atom- and energy-efficient, selective separations to overcome the challenges posed by the similar chemical and physical properties of the rare earth elements (REEs) and their low concentrations in unconventional domestic feedstocks. Here, in this study, we developed diethylenetriamine-functionalized graphene oxide (DETA-GO) as a membrane material for REE adsorption and separation. Synthesis conditions were optimized to maximize nitrogen incorporation while also preserving GO dispersibility for facile membrane fabrication. We investigated the mechanism of amine functionalization, the nitrogen-bonding configurations, the organization of the interlayer transport channels, and the resulting effects on ion and water transport for REE separations. Neat-GO and DETA-GO multilayer laminate membranes were fabricated by vacuum filtration onto polymer supports. To investigate the effects of amine functionalization, the membranes were characterized using scanning electron microscopy, Raman, Fourier transform infrared, and X-ray photoelectron spectroscopy, as well as grazing-incidence X-ray diffraction measurements. Ion permeation experiments with representative lanthanum (La 3+ ) and ytterbium (Yb 3+ ) solutions revealed enhanced ion adsorption and water transport through DETA-GO membranes compared to neat-GO. The strong affinity of the membranes for multivalent REEs was also validated with conductivity and inductively coupled plasma mass spectrometry measurements. Atomistic insight into the role of amine functionalization in modulating nanochannel architecture and long-term stability, optimizing adsorption sites, and regulating REE and water transport was obtained using classical molecular dynamics simulations. Collectively, our joint experimental and theoretical study demonstrates the potential of DETA-GO membranes for selective REE separations, offering insights into ion-binding mechanisms, water-transport properties, and nanochannel optimization for the recovery of critical materials from aqueous feedstocks.

Adsorbent↗
DOE OSTI2023

Two-dimensional assembly of gold nanoparticles grafted with charged-end-group polymers

We introduced charged terminal groups to polymers that graft nanoparticles enable Coulombic control over their assembly by tuning the pH and salinity of their aqueous suspensions. Gold nanoparticles (AuNPs) are grafted with poly (ethylene glycol) (PEG) terminated with CH 3 (charge-neutral), COOH (negatively charged) or NH 2 groups (positively charged), and characterized with dynamic light scattering, ζ-potential, and thermal gravimetric analysis. Liquid surface X-ray reflectivity (XR) and grazing incidence small-angle X-ray scattering (GISAXS) are used to determine the density profile and in-plane structure of the AuNPs assembly at the aqueous surface. Assembly of PEG-AuNPs at the liquid/vapor interface is tunable by adjusting pH or salinity for COOH but less for NH 2 terminals. The distinct assembly behaviors are attributed to the overall charge of PEG-AuNPs as well as PEG conformation. COOH-PEG corona is more compact than those of the other terminal groups, leading to a crystalline structure with a smaller superlattice. The net charge per particle depends not only on the PEG terminal groups but also on the cation sequestration of PEG and the intrinsic negative charge of the AuNP surface. The closeness to overall charge neutrality, and hydrogen bonding in play, brought by NH 2 -PEG, drive NH 2 -PEG-AuNPs to assembly and crystallinity without additives to the suspensions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Specific iron binding to natural sphingomyelin membrane induced by non-specific co-solutes

Sphingomyelin (SPM), a crucial phospholipid in the myelin sheath, plays a vital role in insulating nerve fibers. We hypothesize that iron ions selectively bind to the phosphatidylcholine (PC) template within the SPM membrane under near-physiological conditions, resulting in disruptions to membrane organization. These interactions could potentially contribute to the degradation of the myelin sheath, thereby playing a role in the development of neurodegenerative diseases. We utilized synchrotron-based X-ray spectroscopy and diffraction techniques to study the interaction of iron ions with a bovine spinal-cord SPM monolayer (ML) at the liquid-vapor interface under physiological conditions. The SPM ML serves as a model system, representing localized patches of lipids within a more complex membrane structure. The experiments assessed iron binding to the SPM membrane both in the presence of salts and with additional evaluation of the effects of various ion species on membrane behavior. Grazing incidence X-ray diffraction was employed to analyze the impact of iron binding on the structural integrity of the SPM membrane. Furthermore, our results demonstrate that iron ions in dilute solution selectively bind to the PC template of the SPM membrane exclusively at near-physiological salt concentrations (e.g., NaCl, KCl, KI, or CaCl 2 ) and are pH-dependent. In-significant binding was detected in the absence of these salts or at near-neutral pH with salts. The surface adsorption of iron ions is correlated with salt concentration, reaching saturation at physiological levels. In contrast, multivalent ions such as La 3+ and Ca 2+ do not bind to SPM under similar conditions. Notably, iron binding to the SPM membrane disrupts its in-plane organization, suggesting that these interactions may compromise membrane integrity and contribute to myelin sheath damage associated with neurological disorders.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

X-ray topography characterization of gallium nitride substrates for power device development

Gallium nitride substrates grown by the hydride vapor phase epitaxy (HVPE) method using a patterned growth process have been characterized by synchrotron monochromatic beam X-ray topography in the grazing incidence geometry. Images reveal a starkly heterogeneous distribution of dislocations with areas as large as 0 3 mm 2 containing threading dislocation densities below 10 3 cm -2 in between a grid of strain centers with higher threading dislocation densities (> 10 4 cm -2 ). Basal plane dislocation densities in these areas are as low as 104 cm -2 . By comparing the recorded images of dislocations with ray tracing simulations of expected dislocations in GaN, the Burgers vectors of the dislocations have been determined. The distribution of threading screw/mixed dislocations (TSDs/TMDs), threading edge dislocations (TEDs) and basal plane dislocations (BPDs) is discussed with implications for fabrication of power devices.

36 MATERIALS SCIENCE↗