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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 1,045 records · Page 58
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Single Pass Laser Process for Super-Hydrophobic Flexible Surfaces with Micro/Nano Hierarchical Structures

Wetting has been studied in various fields: chemical industry, automobile manufacturing, food companies, and even life sciences. In these studies, super-hydrophobic surfaces have been achieved through complex steps and processes. To realize super-hydrophobicity, however, we demonstrated a simple and single pass laser process for the fabrication of micro/nano hierarchical structures on the flexible polytetrafluoroethylene (PTFE, Teflon) surface. The fabricated hierarchical structures helped increase the hydrophobicity by augmenting the surface roughness and promoting air-trapping. In addition, we employed a low-cost and high-throughput replication process producing numerous polydimethylsiloxane (PDMS) replicas from the laser-processed PTFE film. Thanks to the anti-adhesive characteristics of PTFE and the elasticity of PDMS, the structure perfectly transferred to the replica without any mechanical failure. Moreover, our designed mesh patterns offered the possibility of large area applications through varying the process parameters (pitch, beam spot size, laser fluence, and scan speed). Even though mesh patterns had relatively large pitch (190 μm), we were able to achieve high contact angle (>150°). Through pneumatically deformed structure, we clearly showed that the shape of the droplets on our laser-processed super-hydrophobic surface was spherical. Based on these outcomes, we can expect our single laser pulse exposure process can overcome many drawbacks and offer opportunities for advancing applications of the wetting phenomena.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Supramolecular Assemblies on Surfaces: Nanopatterning, Functionality, and Reactivity

Understanding how molecules interact to form large-scale hierarchical structures on surfaces holds promise for building designer nanoscale constructs with defined chemical and physical properties. Here, we describe early advances in this field and highlight upcoming opportunities and challenges. Both direct intermolecular interactions and those that are mediated by coordinated metal centers or substrates are discussed. These interactions can be additive, but they can also interfere with each other, leading to new assemblies in which electrical potentials vary at distances much larger than those of typical chemical interactions. Earlier spectroscopic and surface measurements have provided partial information on such interfacial effects. In the interim, scanning probe microscopies have assumed defining roles in the field of molecular organization on surfaces, delivering deeper understanding of interactions, structures, and local potentials. Furthermore, self-assembly is a key strategy to form extended structures on surfaces, advancing nanolithography into the chemical dimension and providing simultaneous control at multiple scales. In parallel, the emergence of graphene and the resulting impetus to explore 2D materials have broadened the field, as surface-confined reactions of molecular building blocks provide access to such materials as 2D polymers and graphene nanoribbons. In this Review, we describe recent advances and point out promising directions that will lead to even greater and more robust capabilities to exploit designer surfaces.

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

Redistribution of Erbium and Oxygen Recoil Atoms and the Structure of Silicon Thin Surface Layers Formed by High-Dose Argon Implantation through Er and SiO{sub 2} Surface Films

Using analytical high-resolution electron microscopy, the Si structure and the redistribution of Er and O recoil atoms embedded in thin (~10 nm) surface layers by Ar{sup +} implantation with an energy of 250–290 keV and a dose of 1 × 10{sup 16} cm{sup –2} through Er and SiO{sub 2} films, respectively, and subsequent annealing are studied. It is established that Si recrystallization fails at a distance of ~20 nm from the surface, where the erbium concentration of 5 × 10{sup 19} cm{sup –3} critical for failure is achieved at T = 950°C. It disproves the generally accepted model of Er-atom transfer by the recrystallization front into SiO{sub 2} on the surface. Instead, it is shown that the redistribution of O recoil atoms to the initial oxide during annealing for immobile Er atoms provides the formation of surface-inhomogeneous erbium phases in such a way that the oxygen-enriched Er–Si–O phase turns out to be concentrated in the oxide, while the depleted Er–Si phase remains in Si. It explains the partial loss of implanted Er after removal of the oxide together with the Er–Si–O phase. It was shown that the formation of a high density of microtwins (locally up to 10{sup 13} cm{sup –2}) is associated with the formation of Ar bubbles and clusters, which is atypical for (100)–Si recrystallization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Laser structuring of the diamond surface in the nanoablation regime

The possibility of using nanoablation (graphitisation-free photoinduced etching) for precise micro- and nanostructuring of the surface of a diamond single crystal has been experimentally investigated. The processing has been performed by femtosecond third-harmonic pulses of a Ti : sapphire laser (λ=266 nm). The specific features of the formation of a surface nanorelief (regularity of the newly formed structures and reduced nanoablation rate near craters) are discussed. The possibility of fabricating a diamond phase diffraction grating with a relief depth of ∼130 nm is demonstrated and the diffraction pattern recorded at λ=532 nm is compared with the results of theoretical analysis. (paper)

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Iridium Nanocrystals Enriched with Defects and Atomic Steps to Enhance Oxygen Evolution Reaction Performance

The presence of defects can significantly improve catalytic activity and stability, as they influence the binding of the reactants, intermediates, and products to the catalyst. Controlling defects in the structures of nanocrystal catalysts is synthetically challenging. In this study, we demonstrate the ability to control the growth of Ir nanocrystals, enabling the tuning of both structural and surface defects. The Ir nanocrystals have unique structures that range from single crystals of a few nanometers to twinned nanoparticles and multiply twinned crystallites with a high density of atomic steps. Further, this approach of defect engineering enables us to understand their roles in enhancing the performance of the OER and producing an Ir catalyst with both high activity and stability. Our results show the importance of the concept of using synthetic control of structural and surface defects in metal nanoparticles as a strategy to improve catalytic performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Structure of the near-surface layer of NiTi on the meso- and microscale levels after ion-beam surface treatment

Using the EBSD, SEM and TEM methods, the structure of surface layer of polycrystalline NiTi alloy samples was examined after the modification of material surface by the pulsed action of mean-energy silicon ion beam. It was found that the ion beam treatment would cause grain fragmentation of the near-surface layer to a depth 5÷50 μm; a higher extent of fragmentation was observed in grains whose close-packed planes were oriented approximately in the same direction as the ion beam was. The effect of high-intensity ion beam treatment on the anisotropic behavior of polycrystalline NiTi alloy and the mechanisms involved were also examined.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Structured illumination for surface-resolved grazing-incidence X-ray scattering

Grazing-incidence (GI) scattering techniques are widely used to characterize thin films, offering high surface sensitivity and insight into morphology and structure. However, these approaches typically provide statistical averaged information due to elongated footprint or limited spatial resolution due to beam size. Here we introduce a method that combines structured illumination with GI X-ray scattering and leverages our computational imaging approach to resolve local structural details. We demonstrate that our method captures local features of an organic semiconductor thin film without the need for sample rotation as in tomography. The method expands GI techniques from statistical averaging to high-resolution imaging, thereby providing the capability for detailed analysis of local material properties, such as domain shape, orientation and polymorphism, which are critical for advancing material design towards more efficient and tailored materials.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Engineering Active Surface Oxygen Sites of Cubic Perovskite Cobalt Oxides toward Catalytic Oxidation Reactions

Unraveling the role of surface oxygen sites in transition metal oxides during catalytic reactions has always been the focus of environmental and energy chemistry research. For this work, active surface oxygen sites of cubic perovskite cobalt oxide were engineered to comprehend their crucial role and catalytic mechanism at the molecular level. By removing those inert Sr/La–O termination layers, active oxygen sites were exposed on the Co terminated surface of Sr 0.6 La 0.4 CoO 3–δ that furnished the dominant catalytic process of CO oxidation via the Mars–van Krevelen (MvK) mechanism. The fabrication of five-coordinate cobalt ions and the enhanced covalency of Co–O bonds not only optimize the surface electronic structure of Co 3d–O 2p, but also supply active surface oxygen sites, which effectively oxidizes CO to CO 2 with a significantly improved oxidation performance and stability as evidenced by soft/hard XAS, XPS, and O 2 -TPD. Furthermore, online isotopic 18 O 2 mass spectrometry, in situ DRIFTS, and theoretical simulation demonstrate that the activity of surface oxygen sites enhances the kinetics of the MvK reaction, while unsaturated coordination sites from five-coordinate cobalt ions primarily contribute to the activated oxygen molecules and the stable catalytic cycle. The results reported here provide a deep insight into the comprehension of the relationships among active oxygen sites, surface electronic structure, and the reaction mechanism of transition metal oxides necessary for catalytic oxidation reactions.

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

Spin-polarized surface resonances accompanying topological surface state formation

Topological insulators host spin-polarized surface states born out of the energetic inversion of bulk bands driven by the spin-orbit interaction. Here we discover previously unidentified consequences of band-inversion on the surface electronic structure of the topological insulator Bi 2 Se 3 . By performing simultaneous spin, time, and angle-resolved photoemission spectroscopy, we map the spin-polarized unoccupied electronic structure and identify a surface resonance which is distinct from the topological surface state, yet shares a similar spin-orbital texture with opposite orientation. Its momentum dependence and spin texture imply an intimate connection with the topological surface state. Calculations show these two distinct states can emerge from trivial Rashba-like states that change topology through the spin-orbit-induced band inversion. As a result, this work thus provides a compelling view of the coevolution of surface states through a topological phase transition, enabled by the unique capability of directly measuring the spin-polarized unoccupied band structure.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Distinct Turbulence Structures in Stably Stratified Boundary Layers With Weak and Strong Surface Shear

Turbulence structures and exchange of momentum and heat in the nocturnal stable boundary layer (SBL) show distinct features under different stability conditions prompting interest in their connection. Here eddy covariance data collected at four different heights on a 62-m meteorological tower over a large open flat terrain are used to characterize different SBL states and associated turbulence structures. In a SBL characterized by strong near-surface winds, turbulent eddy sizes scale with their observational heights and the SBL experiences enhanced turbulent mixing of momentum and heat throughout (a state hereafter referred to as a “coupled” state). Conversely, in a decoupled SBL, weak winds occur near the surface and turbulent eddies are depressed and detached from the boundary leading to suppressed vertical mixing and layered SBL profiles. Because the transport of momentum and heat to the surface across SBL layers is determined by turbulent eddies, cross-layer correlation and the aforementioned SBL coupling states can be delineated by distinct turbulence structures.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Defect Formation under Nitrogen-Ion Implantation and Subsequent Annealing in GaAs Structures with an Uncovered Surface and a Surface Covered with an AlN Film

The concentration profiles of defects produced in structures upon the implantation of nitrogen ions into GaAs epitaxial layers with an uncovered surface and that covered with an AlN film and subsequent annealing are studied. The ion energies and the implantation doses are chosen so that the nitrogen-atom concentration profiles coincided in structures of both types. Rutherford proton backscattering spectra are measured in the random and channeling modes, and the concentration profiles of point defects formed are calculated for the samples under study. It is found that the implantation of nitrogen ions introduces nearly the same number of point defects into structures of both types, and the formation of an AlN film by ion-plasma sputtering is accompanied by the formation of an additional number of defects. However, the annealing of structures of both types leads to nearly the same concentrations of residual defects.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Optimal packing size of non-ligated CdSe nanoclusters for microstructure synthesis

Structural and electrostatic properties of nanoclusters of CdSe of diameter 1–2 nm are studied with first principle calculations to determine the optimal size for synthesizing microstructures. Based on robustness of the core structure, i.e., the retention of tetrahedral geometry, hexagonal ring structure, and overall wu{sup ¨}rtzite structure to surface relaxations, we conclude that nanoclusters of ~2 nm diameter are the best candidates to form a dense microstructure with minimal interstitial space. Se-terminated surfaces retain a zigzag structure as Se atoms are pulled out and Cd atoms are pulled in due to relaxation, therefore, are best suited for inter-nanocluster formations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Performance demonstration of vacuum microwave components critical for the operation of the ITER low-field side reflectometer

Final design studies in preparation for manufacturing have been performed for functional components of the vacuum portion of the ITER Low-Field Side Reflectometer (LFSR). These components consist of an antenna array, electron cyclotron heating (ECH) protection mirrors, phase calibration mirrors, and vacuum windows. Evaluation of these components was conducted at the LFSR test facility and DIII-D. The antenna array consists of six corrugated-waveguide antennas for simultaneous profile, fluctuation, and Doppler measurements. A diffraction grating, incorporated into the plasma-facing miter bend, provides protection of sensitive components from stray ECH at 170 GHz. For in situ phase calibration of the LFSR profile reflectometer, an embossed mirror is incorporated into the adjacent miter bend. Measurements of the radiated beam profile indicate that these components have a small, acceptable effect on mode conversion and beam quality. Baseline transmission characteristics of the dual-disk vacuum window are obtained and are used to guide ongoing developments. Preliminary simulations indicate that a surface-relief structure on the window surfaces can greatly improve transmission. The workability of real-time phase measurements was demonstrated on the DIII-D profile reflectometer. The new automated real-time analysis agrees well with the standard post-processing routine.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Molecular structure and sour gas surface chemistry of supported K 2 O/WO 3 /Al 2 O 3 catalysts

Molecular structures of the unprompted and K 2 O-promoted supported WO 3 /Al 2 O 3 catalysts were studied with in situ Raman and UV-vis spectroscopy. In situ Raman spectra revealed that supported 20% WO 3 /Al 2 O 3 corresponds to near monolayer coverage of isolated and oligomeric surface WOx species on Al 2 O 3 . Above monolayer surface WO x coverage (21% WO 3 /Al 2 O 3 ), crystalline WO 3 nanoparticles are also present. The addition of K 2 O to the supported WO 3 /Al 2 O 3 catalyst increased the concentration of isolated surface WO x species and did not form K 2 WO 4 nanoparticles. The reducibility of the tungsten oxide structures depends on their structures (2D or 3D) and the K 2 O promoter. Their interaction with acidic CO 2 and SO 2 gases was also investigated. Adsorption of CO 2 creates several surface carbonate species of varying acidity that were detected using a combination of in situ IR and mass spectroscopy. Adsorbed bicarbonate form on weakly basic surface sites on tungsten oxide monolayer WO 3 /Al 2 O 3 catalyst as well as in the presence of low 2.5% K 2 O loading. At high 5% K 2 O loading, the presence of the strong surface basic sites yields adsorbed carbonates. In conclusion, after SO 2 pretreatment, however, new strongly adsorbed sulfate appears on the surface that inhibit CO 2 adsorption.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Atomistic modeling of energy band alignment in CdSeTe surfaces

Atomistic modeling based on Desnity Functional Theory (DFT)- 1/2 method coupled with surface Green’s function has been employed to investigate the energy band alignment results in cadmium selenium telluride (CdSeTe) surfaces. The structural and electronic properties of the bulk ternary alloy were established before cleaving the CdSeTe low index surface facets. The dependency of atomic-scale electronic features on different plane orientations was explored by studying the energy band alignment diagrams in the unreconstructed and reconstructed surfaces. While the low index CdSeTe surface geometry reconstructions replicate the CdTe surface geometries, the energy band alignment features of the unreconstructed and reconstructed CdSeTe surfaces differ from those observed in CdTe low index surfaces. The structurally relaxed reconstructed CdSeTe surface results in purely flat bands as opposed to an internal cusp feature observed in CdTe surfaces. The presence of an internal energy cusp in CdTe(111) surfaces is expected to play a key role in enhancing the hole charge transport towards the back of CdTe-only solar cell device and the absence of such feature in CdSeTe surface may explain one of the reason for the lower performance of CdSeTe-only solar cell seen experimentally.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Peptide-Directed PdAu Nanoscale Surface Segregation: Toward Controlled Bimetallic Architecture for Catalytic Materials

Bimetallic nanoparticles are of immense scientific and technological interest given the synergistic properties observed when mixing two different metallic species at the nanoscale. This is particularly prevalent in catalysis, where bimetallic nanoparticles often exhibit improved catalytic activity and durability over their monometallic counterparts. Yet despite intense research efforts, little is understood regarding how to optimize bimetallic surface composition and structure synthetically using rational design principles. Recently, it has been demonstrated that peptide-enabled routes for nanoparticle synthesis result in materials with sequence-dependent catalytic properties, providing an opportunity for rational design through sequence manipulation. In this study, bimetallic PdAu nanoparticles are synthesized with a small set of peptides containing known Pd and Au binding motifs. The resulting nanoparticles were extensively characterized using high-resolution scanning transmission electron microscopy, X-ray absorption spectroscopy and high-energy X-ray diffraction coupled to atomic pair distribution function analysis. Structural information obtained from synchrotron radiation methods were then used to generate model nanoparticle configurations using reverse Monte Carlo simulations, which illustrate sequence-dependence in both surface structure and surface composition. Replica exchange solute tempering molecular dynamic simulations were also used to predict the modes of peptide binding on monometallic surfaces, indicating that different sequences bind to the metal interfaces via different mechanisms. As a testbed reaction, electrocatalytic methanol oxidation experiments were performed, wherein differences in catalytic activity are clearly observed in materials with identical bimetallic composition. Finally, taken together, this study indicates that peptides could be used to arrive at bimetallic surfaces with enhanced catalytic properties, which could be leveraged for rational bimetallic nanoparticle design using peptide-enabled approaches.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗