SEARCH · Search NASA
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.
Facet-Dependent Kinetics and Energetics of Hematite for Solar Water Oxidation Reactions
Currently, the performance of a photoelectrochemical (PEC) system is highly dependent on the charge separation, transport and transfer characteristics at the photoelectrode|electrolyte interface. Of the factors that influence the charge behaviors, the crystalline facets of the semiconductor in contact with the electrolyte play an important role but has been poorly studied previously. Here, we present a study aimed at understanding how the different facets of hematite affect the charge separation and transfer behaviors in a solar water oxidation reaction. Specifically, hematite crystallites with predominantly {012} and {001} facets exposed were synthesized. Density functional theory (DFT) calculations revealed that hematite {012} surfaces feature higher OH coverage, which was confirmed by X-ray photoelectron spectroscopy (XPS). These surface OH groups act as active sites to mediate water oxidation reactions, which plays a positive role for the PEC system. These surface OH groups also facilitate charge recombination, which compromises the charge separation capabilities of hematite. Moreover, intensity modulated photocurrent spectroscopy (IMPS) confirmed that hematite {012} surfaces exhibit higher rate constants for both charge transfer and recombination. Open circuit potential (OCP) measurements revealed that the hematite {012} surface reflects a greater degree of Fermi level pinning effect. Our results shed light on how different surface crystal structures may change surface kinetics and energetics. The information is anticipated to contribute to efforts on optimizing PEC performance for practical solar fuel synthesis.
Understanding the Role of Electronic Effects in CO on the Pt–Sn Alloy Surface via Band Structure Measurements
Not Available
Varying the Electronic Structure of Surface-Bound Ruthenium(II) Polypyridyl Complexes
Explore the source record for details and available documents.
Epoxidation of 1-octene under harsh tail-end conditions in a flow reactor II: impact of delaminated-zeolite catalyst surface area and structural integrity on catalytic performance
The effect of delamination approach of zeolite catalysts was investigated for olefin epoxidation in a flow reactor.
Positron annihilation study of vacancy-type defects in Al single crystal foils with the tweed structures across the surface
The vacancy-type defects in the aluminum single crystal foils after a series of the cyclic tensions were studied using positron annihilation. Two components were identified in the positron lifetime spectra associated with the annihilation of free positrons and positrons trapped by dislocations. With increasing number of cycles the dislocation density firstly increases and reaches a maximum value at N = 10 000 cycles but then it gradually decreases and at N = 70 000 cycles falls down to the level typical for the virgin samples. The direct evidence on the formation of a two-phase system “defective near-surface layer/base Al crystal” in aluminum foils at cyclic tension was obtained using a positron beam with the variable energy.
Analysis shear wave velocity structure obtained from surface wave methods in Bornova, Izmir
Properties of the soil from the bedrock is necessary to describe accurately and reliably for the reduction of earthquake damage. Because seismic waves change their amplitude and frequency content owing to acoustic impedance difference between soil and bedrock. Firstly, shear wave velocity and depth information of layers on bedrock is needed to detect this changing. Shear wave velocity can be obtained using inversion of Rayleigh wave dispersion curves obtained from surface wave methods (MASW- the Multichannel Analysis of Surface Waves, ReMi-Refraction Microtremor, SPAC-Spatial Autocorrelation). While research depth is limeted in active source study, a passive source methods are utilized for deep depth which is not reached using active source methods. ReMi method is used to determine layer thickness and velocity up to 100 m using seismic refraction measurement systems.The research carried out up to desired depth depending on radius using SPAC which is utilized easily in conditions that district using of seismic studies in the city. Vs profiles which are required to calculate deformations in under static and dynamic loads can be obtained with high resolution using combining rayleigh wave dispersion curve obtained from active and passive source methods. In the this study, Surface waves data were collected using the measurements of MASW, ReMi and SPAC at the İzmir Bornova region. Dispersion curves obtained from surface wave methods were combined in wide frequency band and Vs-depth profiles were obtained using inversion. Reliability of the resulting soil profiles were provided by comparison with theoretical transfer function obtained from soil paremeters and observed soil transfer function from Nakamura technique and by examination of fitting between these functions. Vs values are changed between 200-830 m/s and engineering bedrock (Vs>760 m/s) depth is approximately 150 m.
Spectroscopic photoemission and low-energy electron microscopy studies of the surface and electronic structure of two-dimensional materials
Explore the source record for details and available documents.
Superconducting density of states and band structure at the surface of the candidate topological superconductor Au 2 Pb
Not Available
Synthesis, Characterization, Crystal Structure, and Hirshfeld Surface Analysis of Ethyl 2-(4-bromophenyl)-1-cyclohexyl-1H-benzo[d]imidazole-5-carboxylate
The title compound, C{sub 22}H{sub 23}N{sub 2}BrO{sub 2} was synthesized via one-pot reductive cyclization method and characterized by CNH analysis, FT-IR, UV-visible, mass, {sup 1}H and {sup 13}C NMR spectra, thermogravimetric analysis (TGA) and single crystal X-ray diffraction method. The compound crystallizes in monoclinic crystal system: sp. gr. P2{sub 1}/c, Z = 4. The crystal data reveals that the intermolecular interactions of the C–H···π and π···π type connect the molecules which was also visualized with the help of Hirshfeld surface analysis.
Protective structures on the surface of zirconium components of light water reactor cores: Formation, testing, and prototype equipment
The results of tests of plasma treatment of zirconium and deposition of protective yttrium coatings used as the methods of protection of zirconium components of light water reactor cores against hydrogenation are detailed. The amount of hydrogen in the treated sample exposed to superheated steam for 2500 h at temperature T = 400°C and pressure p = 1 atm was five times lower than the corresponding value for the untreated one. The amount of hydrogen in the sample coated with yttrium remained almost unchanged in 4000 h of exposure. A plasma method for rapid testing for hydrogen resistance is proposed. The hydrogenation rate provided by this method is 700 times higher than that in tests with superheated steam. The results of preliminary experiments confirm the possibility of constructing a unit for batch processing of the surfaces of fuel rod claddings.
Dynamic Spatial and Temporal Structures on the Surface of Solids under Load
A model and a method are proposed to explain the origin and main specific features of the dynamic patterns of different types, which were previously observed on the free surface of solids under load in experiments. It is shown that the pattern is formed due to the dynamic instability of the flat surface of the solid under load. This instability develops at the relaxation mechanism caused by the dynamic atomic displacements due to a change in the interatomic interaction during the electron-density redistribution.
Role of oligomer structures in the surface chemistry of amidinate metal complexes used for atomic layer deposition of thin films
The beginning steps of the thermal chemistry of Cu(I)-2-(tert-butylimino)-5,5-dimethyl-pyrrolidinate on metal surfaces were characterized using temperature-programmed desorption experiments and density functional theory (DFT). The relative stability of the initial dimer relative to its dissociation on metal surfaces was evaluated. Several molecular desorption temperatures were identified on Ni(110), but all correspond to dimers, either containing the initial Cu ions or after their removal; no monomer was ever detected. DFT calculations also indicated preferential bonding on Cu(110) as a dimer, albeit with a distorted configuration, via the Cu atoms and in registry with the lattice of the substrate. Furthermore, a potential dissociation pathway of the adsorbed dimer was identified involving the partial detachment of the ligands via the scission of one Cu–N bond at the time and migration to adjacent surface sites. This process is accompanied by the reduction of the Cu centers of the metal–organic complex, indicating that it may be the rate-limiting reaction that leads to further fragmentation of the ligands.
Group B Streptococcus Surface Protein[beta]: Structural Characterization of a Complement Factor H?Bi
Explore the source record for details and available documents.
Replication Data for: Evolution of Metastable Structures at Bimetallic Surfaces from Microscopy and Machine-Learning Molecular Dynamics
The data underlying this published work have been made publicly available in this repository as part of the IMASC Data Management Plan. This work was supported as part of the Integrated Mesoscale Architectures for Sustainable Catalysis (IMASC), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award # DE-SC0012573.
The problem of the structure of the surface of the lunar maria
The results are described of geological and morphological interpretation of large-scale photographs of the surface of lunar maria. A morphological classification is proposed for small craters. It is shown that the classification of a crater in a given morphological category, reflecting the degree of its morphological maturity, is determined by the age of the given crater. A check on the nature of distribution of small craters, as done on the basis of the nearest neighbor method, show that the distribution is governed by a near-random law. It is found that variations of the probability density function for the craters conform to a normal distribution law. An empirical relation is found for the coefficient of variation as a function of crater diameter and the dimensions of the area on which the counts are made. The rockfalls near craters of various morphological classes are described.