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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 1,621 records · Page 90
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Embedding PbS Quantum Dots (QDs) in Pb-Halide Perovskite Matrices: QD Surface Chemistry and Antisolvent Effects on QD Dispersion and Confinement Properties

Hybrid materials of metal chalcogenide colloidal quantum dots (QDs) embedded in metal halide perovskites (MHPs) have led to composites with synergistic properties. Here, we investigate how QD size, surface chemistry, and MHP film formation methods affect the resulting optoelectronic properties of QD/MHP “dot-in-matrix” systems. We monitor the QD absorption and photoluminescence throughout synthesis, ligand exchange, and transfer into the MHP ink, and we characterize the final QD/MHP films via electron microscopy and transient absorption. In addition, we are the first to globally map how PbS QDs are distributed on the micrometer scale within these dot-in-matrix systems, using three-dimensional (3D) tomography time-of-flight secondary ion mass spectrometry. The surface chemistry imparted during synthesis directly affects the optical properties of the dot-in-matrix composites. Pb-halide passivation leads to QD/MHP dot-in-matrix samples with optical properties that are well-described by a theoretical model, based on a Type I finite-barrier heterostructure between the PbS QD and the MHP matrix. Samples without Pb-halide passivation show complicated size-dependent behavior, indicating a transition from a Type I heterostructure between the PbS QD wells and MHP barriers for small-sized QDs to PbS QDs that are electronically decoupled from the MHP matrix for larger QDs. Furthermore, the choice in perovskite antisolvent crystallization method leads to a difference in the spatial QD distribution within the perovskite matrix, differences in carrier lifetime, and photoluminescence shifts of up to 180 meV for PbS in methylammonium lead iodide. This work establishes an understanding of such emerging synergistic systems relevant for technologies such as photovoltaics, infrared emitters and detectors, and other unexplored technological applications.

92 SC - Basic Energy Sciences (BES) (SC-22)↗
DOE OSTI2020

A self-adjusting platinum surface for acetone hydrogenation

We show that platinum displays a self-adjusting surface that is active for the hydrogenation of acetone over a wide range of reaction conditions. Reaction kinetics measurements under steady-state and transient conditions at temperatures near 350 K, electronic structure calculations employing density-functional theory, and microkinetic modeling were employed to study this behavior over supported platinum catalysts. The importance of surface coverage effects was highlighted by evaluating the transient response of isopropanol formation following either removal of the reactant ketone from the feed, or its substitution with a similarly structured species. The extent to which adsorbed intermediates that lead to the formation of isopropanol were removed from the catalytic surface was observed to be higher following ketone substitution in comparison to its removal, indicating that surface species leading to isopropanol become more strongly adsorbed on the surface as the coverage decreases during the desorption experiment. This phenomenon occurs as a result of adsorbate–adsorbate repulsive interactions on the catalyst surface which adjust with respect to the reaction conditions. Reaction kinetics parameters obtained experimentally were in agreement with those predicted by microkinetic modeling when the binding energies, activation energies, and entropies of adsorbed species and transition states were expressed as a function of surface coverage of the most abundant surface intermediate (MASI, C 3 H 6 OH*). It is important that these effects of surface coverage be incorporated dynamically in the microkinetic model (e.g., using the Bragg–Williams approximation) to describe the experimental data over a wide range of acetone partial pressures.

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

Not all platinum surfaces are the same: Effect of the support on fundamental properties of platinum adlayer and its implications for the activity toward hydrogen evolution reaction

The adsorption of atomic hydrogen on a platinum monolayer supported on orthorhombic Mo 2 C(100) surface has been investigated, considering different hydrogen surface coverages. Calculations have been performed using density functional theory with the Perdew-Burke-Ernzerhof exchange correlation functional and a D3 Van der Waals corrections. The theoretical insight has been gained into atomic hydrogen interaction with Pt monolayer, supported on both molybdenum and well-studied tungsten carbide, and considering hydrogen surface coverage. Fundamental properties of Pt adlayer depend on the support, affecting hydrogen evolution activity of the resulting systems. At low hydrogen coverage all systems, with the exception of Pt supported on the molybdenum-terminated Mo 2 C, adsorb H comparably to a pristine Pt(111) surface and their high activity for the hydrogen evolution reaction is predicted. Additionally, at higher coverages supported Pt monolayers interact with atomic hydrogen unlike the Pt(111), suggesting that the activity of the supported and unsupported platinum toward hydrogen evolution reaction have different origins. Furthermore, the position of the supported platinum monolayers on the volcano curve is a function of the surface coverage, more so than for extended metal surfaces. Therefore, hydrogen surface coverage is a key variable to understand the catalytic potential, approaching towards an improved model for screening of electrocatalytic systems.

36 MATERIALS SCIENCE↗
NASA NTRS2006

A Time Series Approach for Soil Moisture Estimation

Soil moisture is a key parameter in understanding the global water cycle and in predicting natural hazards. Polarimetric radar measurements have been used for estimating soil moisture of bare surfaces. In order to estimate soil moisture accurately, the surface roughness effect must be compensated properly. In addition, these algorithms will not produce accurate results for vegetated surfaces. It is difficult to retrieve soil moisture of a vegetated surface since the radar backscattering cross section is sensitive to the vegetation structure and environmental conditions such as the ground slope. Therefore, it is necessary to develop a method to estimate the effect of the surface roughness and vegetation reliably. One way to remove the roughness effect and the vegetation contamination is to take advantage of the temporal variation of soil moisture. In order to understand the global hydrologic cycle, it is desirable to measure soil moisture with one- to two-days revisit. Using these frequent measurements, a time series approach can be implemented to improve the soil moisture retrieval accuracy.

soil moisture↗
NASA NTRS1924

Recent researches in airship construction I : forces of flow on a moving airship and the effect of the control surfaces

The problems as to how an airship can best be stabilized and steered and to what stresses it is subjected in the air, are so important as to determine in large measure the future development of airships much more than formerly when velocities of 30-35 meters (98-115 feet) per second were not known and the effects of the air flow were not so great.

CONTROL SURFACES, AIRSHIPS↗
DOE OSTI2015

Fermi surface distortion induced by interaction between Rashba and Zeeman effects

To evaluate Fermi surface distortion induced by interaction between Rashba and Zeeman effects, the channel resistance in an InAs quantum well layer is investigated with an in-plane magnetic field transverse to the current direction. In the magnetoresistance curve, the critical point occurs at ∼3.5 T, which is approximately half of the independently measured Rashba field. To get an insight into the correlation between the critical point in magnetoresistance curve and the Rashba strength, the channel conductivity is calculated using a two-dimensional free-electron model with relaxation time approximation. The critical point obtained from the model calculation is in agreement with the experiment, suggesting that the observation of critical point can be an alternative method to experimentally determine the Rashba parameter.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Enhanced surface modification engineering (H, F, Cl, Br, and NO{sub 2}) of CdS nanowires with and without surface dangling bonds

Semiconductor nanowires (NWs) can be applied in gas sensing and cell detection, but the sensing mechanism is not clearly understood. In this study, surface modification effect on the electronic properties of CdS NWs for different diameters with several species (H, F, Cl, Br, and NO{sub 2}) is investigated by first principles calculations. The surface dangling bonds and halogen elements are chosen to represent the environment of the surface. Halogen passivation drastically changes the band gaps due to the strong electronegativity and the energy level of halogen atoms. Density of states analysis indicates that valence band maximum (VBM) of halogen-passivated NWs is formed by the p states of halogen atoms, while VBM of H-passivated NWs is originated from Cd 4d and S 3p orbitals. To illustrate that surface modification can be applied in gas sensing, NO{sub 2}-absorbed NWs with different coverage are calculated. Low coverage of NO{sub 2} introduces a deep p-type dopant-like level, while high coverage introduces a shallow n-type dopant-like level into the band structure. The transformation is due to that at low coverage the adsorption is chemical while at high coverage is physical. These findings might promote the understanding of surface modification effect and the sensing mechanism of NWs as gas sensors.

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

Surface-Enhanced Separation of Water from Hydrocarbons: Potential Dewatering Membranes for the Catalytic Fast Pyrolysis of Pine Biomass

The impact of surface-selective coatings on water permeation through a membrane when exposed to catalytic fast pyrolysis (CFP) vapor products was studied by tailoring the surface properties of the membrane coating from superhydrophilic to superhydrophobic. Our approach used high-performance architectured surface-selective (HiPAS) membranes that were inserted after a CFP reactor. At this insertion point, the inner wall surface of a tubular membrane was exposed to a mixture of water and upgraded product vapors, including light gases and deoxygenated hydrocarbons. Under proper membrane operating conditions, a high selectivity for water over one-ring upgraded biomass pyrolysis hydrocarbons was observed as a result of a surface-enhanced capillary condensation process. Owing to this surface-enhanced effect, HiPAS membranes have the potential to enable high flux separations, suggesting that water can be selectively removed from the CFP product vapors.

09 BIOMASS FUELS↗
DOE OSTI2024

Hydrogen permeation in iron-chromium-aluminum (FeCrAl) alloys and the effects of microstructure and surface oxide

Iron–chromium–aluminum (FeCrAl) class alloys are candidates for use as cladding for accident-tolerant fuels and moderators. In this context, hydrogen isotope permeation in FeCrAl alloys is an important material property. Here, in the present work, the apparent permeability, effective diffusivity, and apparent solubility of hydrogen in the FeCrAl alloys C26M and Kanthal D (KD) were measured with gas-driven hydrogen permeation. Permeation measurements were conducted at temperatures of 400 to 700 °C and at gas-driven pressures from 1 to 100 kPa. In particular, the effect of grain size on hydrogen transport was studied with KD samples with three different microstructures: nanocrystalline (NC), ultra-fine grained (UFG), and coarse-grained (CG). The UFG and NC specimens had higher apparent activation energies (73.4 kJ mol -1 and 65.2 kJ mol -1 , respectively) for hydrogen permeability than the CG sample (46.9 kJ mol -1 ). An aluminum oxide layer formed on the primary- and secondary-side surfaces of all samples subjected to permeation experiments which demonstrated the propensity of FeCrAl alloys to form these innate oxide permeation barriers.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2015

Effect of alkali treatment on surface morphology of titanium

Alkali and heat treatments were first introduced by Kim et al. to prepare a bioactive surface on titanium. This method has been proven very effective and widely used in other studies to promote titanium osteointegration. This study aims to investigate further the effect of alkali treatment on surface morphology of high purity titanium. High purity titanium foils were immersed in NaOH aqueous solutions of 0.5 M, 5 M and 15 M at 60°C and 80 °C for 1, 3 and 7 days. The surface morphology was examined using Field Emission Scanning Electron Microscope (FESEM). The obtained phases were analysed using Fourier Transform Infrared Spectroscopy (FTIR) in the spectra range of 4000-600 cm{sup −1} at 4 cm{sup −1} resolution and 50 scans. At the same soaking temperature and soaking time, a thicker porous network was observed with increasing concentration of NaOH. At the same soaking temperature, a much porous structure was observed with increasing soaking time. At constant alkali concentration, more homogenously distributed porous surface structure was observed with increasing soaking temperature.

36 MATERIALS SCIENCE↗
NASA NTRS1991

Effects of spatial sampling of satellite data on derived surface solar irradiance

The effect of different spatial sampling of satellite observations on retrieved surface solar irradiance was studied. The results indicate that sampled (8-km resolution) and areally averaged (50-km resolution) visible brightness is highly correlated; the correlation has a regional, seasonal, and diurnal dependence. Using the two different resolutions of satellite observations, retrieved surface solar irradiance was computed for a whole annual cycle. On the average, the results differed by about 8-9 percent. Therefore, to validate satellite methods against ground truth to an accuracy which exceeds 8-9 percent of the mean, attention should be given to the type of satellite data and ground truth used in the validation process.

Pinker, R. T.↗
DOE OSTI2023

Electronic density of states of a U ( 1 ) quantum spin liquid with spinon Fermi surface. I. Orbital magnetic field effects

A quantum spin liquid with a spinon Fermi surface is an exotic insulator that hosts neutral Fermi surfaces inside the insulating gap. In an external magnetic field, it has been pointed out that the neutral Fermi surfaces are Landau quantized to form Landau levels due to the coupling to the induced emergent gauge magnetic field. In this paper, we calculate the electronic density of states (as observed in tunneling experiments) of the quantum spin liquid in an orbital magnetic field. Here, we find that the Landau levels from the neutral Fermi surfaces give rise to a set of steps emerging at the upper and lower Hubbard band edges. Each of the Hubbard band edge steps further develop into a band edge resonance peak when a weak gauge binding arising from the gauge field fluctuations is taken into account. Importantly, each Hubbard band edge step and its resulting resonance peak in the weak gauge binding are found to have a corresponding Landau level from the neutral Fermi surfaces, so the Hubbard band edge steps and the band edge resonance peaks provide signatures to the unique feature that characterizes the Landau quantization of the in-gap neutral Fermi surfaces in the spin liquid. We further consider the strong gauge-binding regime where the band edge resonance peaks move into the Mott gap and develop into true in-gap bound states. In the strong gauge binding regime, we solve the Landau-level spectrum of the in-gap bound states in an orbital magnetic field. For the in-gap bound state with a Mexican-hat-like band dispersion, we find that the envelop energy to have a state excited from the bound state Landau levels decreases quadratically with the magnetic field. The quadratic decrease behavior of the envelop energy is consistent with the intuition that applying magnetic field localizes the states and energetically promotes the in-gap bound states formation. Finally, we discuss the connection of our results to the electronic density of states spectra measured in the layered 1T-TaS 2 . We point out that a quantum spin liquid with a quasibound state in the upper Hubbard band can give the density of states spectra similar to the one measured in the experiment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1999

Two Dimensional Dendritic Crystal Growth for Weak Undercooling

We discuss the framework and issues brought forth in the recent work of Kunka, Foster & Tanveer, which incorporates small but nonzero surface energy effects in the nonlinear dynamics of a conformal mapping function z(zeta,t) that maps the upper-half zeta plane into the exterior of a dendrite. In this paper, surface energy effects on the singularities of z(zeta,t) in the lower-half plane were examined, as they move toward the real axis from below. In particular, the dynamics of complex singularities manifests itself in predictions on nature and growth rate of disturbances, as well as of coarsening.

Tanveer, S.↗
DOE OSTI2023

Effects of additively manufactured surface roughness on small diameter plenums with multiple side discharges for high temperature gas turbine blade cooling applications

Combined heat and power (CHP) applications have significant environmental and economic benefits that are consistent with the goals of the U.S. Department of Energy (DOE). One area that is currently being studied includes the potential benefits of CHP turbine operation at higher turbine inlet temperatures. Internal cooling concepts enabled by additive manufacturing (AM) are of primary interest. Here, the effectiveness of internal cooling is hindered by many factors such as velocity distribution of the cooling air to the hot surface considering impingement cooling. To simulate cooling air exiting from a series of orifices for internal cooling in an airfoil, a straight smooth wall tubing with multiple side discharging orifices is used and compared to additively manufactured tubing (Ti6Al4V Grade 23) with orifice size and spacing as well as inner and outer diameters identical to the smooth wall tubing. Similar to flow discharging form perforated pipes, the flow discharged from individual orifices along the tubes in this study is found to be nonuniformly distributed, and the horizontal (axial direction) momentum can be observed from the experimental data. Discharge velocities have been measured with two-dimensional (2D) particle imaging velocimetry (PIV) and single element hot wire anemometry. Numerical analysis has also been conducted to predict the velocity distributions along the orifices in the smooth wall and additive manufacturing (AM) tubing, which are inherited with surface roughness. Numerical and measured results in this study are compared, presented, and discussed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗