Structural Colors from Fano Resonances
Explore the source record for details and available documents.
charge transport↗
SEARCH · Engineering Papers
Results for “Surface structure”
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
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↗
Radar Sounding of Mars: A Focus on MARSIS
Radar has the unique capability of looking under the dry and cold surfaces of Mars. The depth of penetration of radio waves depends on a number of surface and subsurface parameters such as surface topography, subsurface geological structure, and surface and subsurface electromagnetic properties. Among these parameters, the surface topography is known best largely due to valuable data provided by Mars Global Surveyor's MOLA (Mars Orbiter Laser Altimeter) instrument. However, little information is available on the electromagnetic properties and subsurface characteristics of Mars. In addition to dispersion, the ionosphere will also attenuate the radio wave. The level of attenuation depends on the ionosphere's electron density and its profile shape and the electron-neutral collision frequency. Fortunately, information from past missions can provide some information on the expected level of attenuation. A figure shows expected total radio wave attenuation under three different ionospheric conditions. Additional information is contained in the original extended abstract.
Safaeinili, A.↗
Radar Sounding of Mars: A Focus on MARSIS
Radar has the unique capability of looking under the dry and cold surfaces of Mars. The depth of penetration of radio waves depends on a number of surface and subsurface parameters such as surface topography, subsurface geological structure and surface and subsurface electromagnetic properties. Among these parameters, the surface topography is known best largely due to valuable data provided by Mars Global Surveyor's MOLA instrument. However, little information is available on the electromagnetic properties and subsurface characteristics of Mars.
radar sounding↗
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↗
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↗
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↗
Effects of chemical disorder and spin-orbit coupling on the electronic-structure and Fermi-surface topology of YbSb-based monopnictides
Here, in this work, we study the influence of disorder on the electronic structure of YbSb—a rare-earth monopnictide featuring a simple rocksalt (B1) crystal structure and a well-defined Fermi-surface topology—by employing first-principles density-functional theory. We focus on chemical disorder introduced through Te and Al doping, selected based on their thermodynamic stability in alloyed configurations, to understand how such perturbations modify the electronic states of YbSb. Our results indicate that Te doping predominantly introduces electronlike states at the 𝑋 and 𝐿 points, while Al doping leads to a suppression of holelike states at Γ, effectively driving the system from a semimetallic state to one characterized by very narrow-gap behavior at Γ. This modulation of the Fermi surface, particularly the reduction of central hole pockets at Γ, plays a central role in altering interpocket scattering—a mechanism critical for tuning quantum transport properties, including superconductivity. This disorder-driven modulation of the Fermi surface, particularly the suppression of central hole pockets at Γ, controls interpocket scattering, which is essential for optimizing quantum transport properties, including superconductivity. Our results show that disorder can be effectively used for engineering band topology, thereby tuning quantum related response through a tailored electronic structure.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
Joint Test Protocol for Validation of Alternative Low-Emission Surface Preparation/Depainting Technologies for Structural Steel
Headquarters National Aeronautics and Space Administration (NASA) chartered the Acquisition Pollution Prevention (AP2) Office to coordinate agency activities affecting pollution prevention issues identified during system and component acquisition and sustainment processes. The primary objectives of the AP2 Office are to: (1) Reduce or eliminate the use of hazardous materials (HazMats) or hazardous processes at manufacturing, remanufacturing, and sustainment locations. (2) A void duplication of effort in actions required to reduce or eliminate HazMats through joint center cooperation and technology sharing. This project will identify, evaluate and approve alternative surface preparation technologies for use at NASA and Air Force Space Command (AFSPC) installations. Materials and processes will be evaluated with the goal of selecting those processes that will improve corrosion protection at critical systems, facilitate easier maintenance activity, extend maintenance cycles, eliminate flight hardware contamination and reduce the amount of hazardous waste generated. This Joint Test Protocol (JTP) contains the critical requirements and tests necessary to qualify alternative Low-Emission Surface Preparation/Depainting Technologies for Structural Steel Applications. These tests were derived from engineering, performance, and operational impact (supportability) requirements defined by a consensus of NASA and Air Force Space Command (AFSPC) participants. The Field Test Plan (FTP), entitled Joint Test Protocol for Validation of Alternative Low Emission Surface Preparation/Depainting Technologies for Structural Steel, prepared by ITB, defines the field evaluation and testing requirements for validating alternative surface preparation/depainting technologies and supplements the JTP.
Lewis, Pattie↗
Loading and heating of a large flat plate at Mach 7 in the Langley 8-foot high-temperature structures tunnel
Surface pressure and cold-wall heating rate distributions (wall-temperature to total-temperature ratio approximately 0.2) were obtained on a large, flat calibration panel at a nominal Mach number of 7 in an 8-foot high-temperature structures tunnel. Panel dimensions were 42.5 by 60.0 in. Test objectives were: (1) to map available flat-plate loading and heating provided by the facility and (2) to determine effectiveness of leading-edge bluntness, boundary-layer trips, and aerodynamic fences in generating a uniform, streamwise turbulent flow field over the test surface of a flat-sided panel holder.
Deveikis, W. D.↗
Insights into the electronic origin of enhancing the catalytic activity of Co 3 O 4 for oxygen evolution by single atom ruthenium
The surface electronic structure of transition-metal oxide catalysts plays a decisive role in binding the intermediates of the oxygen evolution reaction (OER) to the oxide surface, in turn influencing the catalytic activity of these materials. However, the approaches to modulating the electronic structure of surface metal ions are rare and far behind the demands. Here, we report a surface single atom decoration for adjusting the surface electronic structure of Co 3 O 4 , leading to enhanced electrocatalytic activity for OER, in which the isolated Ru single atoms were uniformly deposited on the surface of Co 3 O 4 by an atomic layer deposition technology. As the OER catalyst, the as-made catalysts have exhibited a significantly enhanced catalytic activity (with increasing to 95.5 times) and a dramatically decreased overpotential. The density functional theory calculations reveal that the single-atom Ru acts as a promotor to adjust the 3d electronic structure of adjacent Co atoms and to tune the binding energy between intermediates and activity sites, finally leading to enhanced catalytic activity.
36 MATERIALS SCIENCE↗
Water dissociative adsorption on NiO(111): Energetics and structure of the hydroxylated surface
The energetics of the reactions of water with metal oxide surfaces are of tremendous interest for catalysis, electrocatalysis, and geochemistry, yet the energy for the dissociative adsorption of water was only previously measured on one well-defined oxide surface, iron oxide. In the present paper, the enthalpy of the dissociative adsorption of water is measured on NiO(111)-2 × 2 at 300 K using single-crystal adsorption calorimetry. The differential heat of dissociative adsorption decreases with coverage from 170 to 117 kJ/mol in the first 0.25 ML of coverage. Water adsorbs molecularly on top of that, with a heat of ~92 kJ/mol. Density functional theory (DFT) calculations reproduce the measured energies well (all within 17 kJ/mol) and provide insight into the atomic-level structure of the surfaces studied experimentally. They show that the oxygen-terminated O-octo(2 × 2) structure is the most stable NiO(111)-2 × 2 termination and gives reaction energies with water that are more consistent with the calorimetry results than the metal-terminated surface. They show that water adsorbs dissociatively on this (2 × 2)-O-octo surface to produce a hydroxyl-covered surface with a heat of adsorption of 171 ± 5 kJ/mol in the low-coverage limit (very close to 170 kJ/mol experimentally) and an integral heat that decreases by 14 kJ/mol up to saturation (compared to ~30 kJ/mol experimentally). As a result, sensitivity of this reaction’s energy to choice of DFT method is tested using a variety of different exchange correlation functionals, including HSE06, and found to be quite weak.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Determination of crystallographic orientation of lead-free piezoelectric (K,Na)NbO{sub 3} epitaxial thin films grown on SrTiO{sub 3} (100) surfaces
Crystallographic structure of sol-gel-processed lead-free (K,Na)NbO{sub 3} (KNN) epitaxial films on [100]-cut SrTiO{sub 3} single-crystalline substrates was investigated for a deeper understanding of its piezoelectric response. Lattice parameter measurement by high-resolution X-ray diffraction and transmission electron microscopy revealed that the orthorhombic KNN films on SrTiO{sub 3} (100) surfaces are [010] oriented (b-axis-oriented) rather than commonly identified c-axis orientation. Based on the crystallographic orientation and corresponding ferroelectric domain structure investigated by piezoresponse force microscopy, the superior piezoelectric property along b-axis of epitaxial KNN films than other orientations can be explained.
36 MATERIALS SCIENCE↗
Thermodynamic stability and structures of iron chloride surfaces: A first-principles investigation
In this study, we report a comprehensive density functional theory investigation of the structure and thermodynamic stability of FeCl{sub 2} and FeCl{sub 3} surfaces. Calculated lattice constants and heats of formation for bulk FeCl{sub 2} and FeCl{sub 3} were found to be in relatively good agreement with experimental measurements. We provide structural parameters for 15 distinct FeCl{sub 2} and FeCl{sub 3} surfaces along the three low-index orientations. The optimized geometries for all surfaces are compared with analogous bulk values. Ab initio atomistic thermodynamic calculations have been carried out to assess the relative thermodynamic stability of FeCl{sub 2} and FeCl{sub 3} surfaces under practical operating conditions of temperatures and pressures. The FeCl{sub 2} (100-Cl) surface is found to afford the most stable configuration at all experimentally accessible gas phase conditions.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
In Situ/Operando Probing of Dynamic Phase Structures of Alumina‐Supported Ultrasmall Copper‐Gold Alloy Nanoparticles Under Reaction Conditions
Abstract The ability to control phase structures and surface sites of ultrasmall alloy nanoparticles under reaction conditions is essential for preparing catalysts by design. This is, however, challenging due to limited understanding of the atomic‐scale phases and their correlation with the ensemble‐averaged structures and activities of catalysts during catalytic reactions. We reveal here a dynamic structural stability of alumina‐supported ultrasmall and equiatomic copper‐gold alloy nanoparticles under reaction conditions as a model system in the in situ/operando study. In situ atomic‐scale morphological tracking under oxygen reveals temperature‐dependent dynamic crystalline‐amorphous dual‐phase structures, showing dynamic stability over an elevated temperature range. This atomic‐scale dynamic phase stability coincides with a “conversion plateau” observed for carbon monoxide oxidation on the catalyst. It is substantiated by the stable lattice ordering/disordering structures and surface sites with oscillatory characteristics shown by operando ensemble‐average structural tracking of the catalyst during the oxidation reaction. The understanding of the atomic‐scale dynamic phase structures in correlation with the ensemble‐average dynamic ordering/disordering phase structures and surface sites provides fresh insights into the unique synergy of the supported alloy nanoparticles. This understanding has implications for the design and structural tuning of active and stable ultrasmall alloy catalysts under elevated temperatures.
Chemistry↗
The application of test structures for the study of surface effects in LSI circuitry.
Test structure model for studying semiconductor- insulator interface related failure mechanisms in large scale integrated circuitry
Schlegel, E. S.↗
Vectorial mapping of noncollinear antiferromagnetic structure of semiconducting FeSe surface with spin-polarized scanning tunneling microscopy
Antiferromagnetic semiconductors gain increasing interest due to their possible application in spintronics. Using spin polarized scanning tunneling microscopy operating in a vector field, we mapped the noncollinear antiferromagnetic spin structure of a semiconducting hexagonal FeSe surface on the atomic scale. The surface possesses an in-plane compensated Néel structure which is further confirmed by first-principles calculations.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
The structure of the NiTi surface layers after the ion-plasma alloying of Ta
The effect of the Ta-ion beam implantation on the micro- and nanostructures of the surface layers of NiTi alloy was investigated using transmission electron microscopy and Auger spectroscopy. It is found that the elements are distributed non-uniformly with depth, so that the sublayers differ significantly in structure. The modified surface layer was found to consist of two sublayers, i.e. the upper oxide layer and the lower-lying amorphous layer that contains a maximum of Ta atoms.
36 MATERIALS SCIENCE↗