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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Surface effects on hydrogen permeation through Ti-14Al-21Nb alloy

Hydrogen transport through Ti-14Al-21Nb (wt percent) alloy is measured using ultrahigh vacuum permeation techniques over the temperature range of 500 to 900 C and hydrogen pressure range of 0.25 to 10 torr. Hydrogen permeability through the alloy can be described through two different mechanisms depending on th temperature of exposure. In the 675 to 900 C range, the process is diffusion-limited: the permeability has a weak temperature dependence, but the diffusivity has a strong temperature dependence. Below 675 C, the permeation rate of hydrogen is very sensitive to surface controlled processes such as the formation of a barrier layer from contaminants. A physical model explaining the role of surface films on the transport of hydrogen through Ti-14Al-21Nb alloy was described.

Sankaran, Sandara N.↗
DOE OSTI2019

Multifunctional UV and Gas Sensors Based on Vertically Nanostructured Zinc Oxide: Volume Versus Surface Effect

This article reports that it is possible to make multifunctional sensing devices with ZnO infiltrated polymers while the sensing interactions could occur throughout the polymer. As such, we find that infiltrated devices with SU-8 polymer can result in highly sensitive UV sensors. Mesh dielectric core devices were found to make sensitive gas sensors with a better than 5 ppm sensitivity for formaldehyde and NO2. A new type of p-n junction device is further demonstrated that is sensitive to UV illumination, thus making it an enhanced UV sensor. Sensing devices relying on volume interactions, such as light absorption, can significantly benefit from the infiltrated polymer. In contrast, devices that rely on surface interactions, such as gas sensors, do not gain performance in any significant way with or without the infiltrated polymer.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

Exploiting Saturation Regimes and Surface Effects to Tune Composite Design: Single Platelet Nanocomposites of Peptoid Nanosheets and CaCO 3

Mineral-polymer composites found in nature exhibit exceptional structural properties essential to their function, and transferring these attributes to the synthetic design of functional materials holds promise across various sectors. Biomimetic fabrication of nanocomposites introduces new pathways for advanced material design and explores biomineralization strategies. This study presents a novel approach for producing single platelet nanocomposites composed of CaCO 3 and biomimetic peptoid (N-substituted glycines) polymers, akin to the bricks found in the brick-and-mortar structure of nacre, the inner layer of certain mollusc shells. The significant aspect of the proposed strategy is the use of organic peptoid nanosheets as the scaffolds for brick formation, along with their controlled mineralization in solution. Here, we employ the B28 peptoid nanosheet as a scaffold, which readily forms free-floating zwitterionic bilayers in aqueous solution. The peptoid nanosheets were mineralized under consistent initial conditions (σ calcite = 1.2, pH 9.00), with variations in mixing conditions and supersaturation profiles over time aimed at controlling the final product. Nanosheets were mineralized in both feedback control experiments, where supersaturation was continuously replenished by titrant addition and in batch experiments without a feedback loop. Complete coverage of the nanosheet surface by amorphous calcium carbonate was achieved under specific conditions with feedback control mineralization, whereas vaterite was the primary CaCO 3 phase observed after batch experiments. Thermodynamic calculations suggest that time-dependent supersaturation profiles as well as the spatial distribution of supersaturation are effective controls for tuning the mineralization extent and product. We anticipate that the control strategies outlined in this work can serve as a foundation for the advanced and scalable fabrication of nanocomposites as building blocks for nacre-mimetic and functional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Decoupling size and surface effects of intermetallic CuPd nanocrystals for electrocatalytic nitrate reduction to ammonia

Nitrate pollution poses a major environmental challenge, but its electrochemical conversion to ammonia offers a sustainable waste-to-value solution. Here, in this study, we synthesized monodisperse, size-tunable B2-phase CuPd intermetallic nanocrystals (6–46 nm) and studied their performance in the electrochemical nitrate reduction reaction (eNO 3 RR). By using bromide ions to modulate Pd reduction and applying mild annealing, we achieved phase-pure B2 structures across all sizes. Catalytic testing revealed a volcano-like trend in ammonia yield, peaking at 33 nm nanocubes with a rate of 6.97 mol h −1 g −1 at −0.6 V vs. reversible hydrogen electrode (RHE). This optimum reflects a balance between the increased surface area of smaller particles and the enhanced exposure of active (100) facets in larger ones. Theoretical calculations indicated that the B2-CuPd (100) facet is favorable for nitrate adsorption, thereby supporting the high activity of nanocubes. Our results highlight the critical role of tuning both nanoparticle size and surface structure to maximize eNO 3 RR efficiency.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Size and surface effects on the magnetism of magnetite and maghemite nanoparticles

The size effects of magnetite and maghemite nanoparticles on their magnetic properties (magnetic moment, Curie temperature, blocking temperature, etc.) have been investigated. Magnetic separation and centrifugation of an aqueous solution of nanoparticles were used for their separation into fractions; their sizes were measured by atomic force microscopy, dynamic light scattering, and electron microscopy. A change in the size leads to a change in the Curie temperature and magnetic moment per formula unit. Both native nanoparticles and those covered with a bioresorbable layer have been considered. The magnetic properties have been calculated by the Monte Carlo method for the classical Heisenberg model with various bulk and surface magnetic moments.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Influences of granular constraints and surface effects on the heterogeneity of elastic, superelastic, and plastic responses of polycrystalline shape memory alloys

Deformation heterogeneities at the microstructural length-scale developed in polycrystalline shape memory alloys (SMAs) during superelastic loading are studied using both experiments and simulations. In situ X-ray diffraction, specifically the far-field high energy diffraction microscopy (ff-HEDM) technique, was used to non-destructively measure the grain-averaged statistics of position, crystal orientation, elastic strain tensor, and volume for hundreds of austenite grains in a superelastically loaded nickel-titanium (NiTi) SMA. These experimental data were also used to create a synthetic microstructure within a finite element model. The development of intragranular stresses were then simulated during tensile loading of the model using anisotropic elasticity. Driving forces for phase transformation and slip were calculated from these stresses. The grain-average responses of individual austenite crystals examined before and after multiple stress-induced transformation events showed that grains in the specimen interior carry more axial stress than the surface grains as the superelastic response "shakes down". Examination of the heterogeneity within individual grains showed that regions near grain boundaries exhibit larger stress variation compared to the grain interiors. As a result, this intragranular heterogeneity is more strongly driven by the constraints of neighboring grains than the initial stress state and orientation of the individual grains.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Surface Effects on the Dynamic Behavior of Vortices in Type II Superconducting Strips with Periodic and Conformal Pinning Arrays

Using molecular dynamics techniques, we simulate the vortex behavior in a type II superconducting strip in the presence of triangular and two types of conformal pinning arrays, one with a pinning gradient perpendicular to the driving force (C1) and the other parallel (C2), at zero temperature. A transport force is applied in the infinite direction of the strip, and the magnetic field is increased until the rate between the density of vortices (n{sub v}) and pinning (n{sub p}) reaches n{sub v}/n{sub p} = 1.5. Our results show a monotonic increase, by steps, of the vortex density with the applied magnetic field. Besides, each pinning lattice presents a different vortex penetration delay. For the triangular pinning array, different than the case of infinite films, here the system exhibits only one pronounced depinning force peak at n{sub v}/n{sub p} = 1. However, the depinning force peak is present for only one value of field, in the range of fields where n{sub v}/n{sub p} = 1 is stable. For the case of conformal pinning arrays, in analogy to what is observed in infinite films, no commensurability depinning force peaks were found. In the present case, the C1 array is more efficient at low fields, all arrays are equivalent in the intermediate fields, and the C2 array is more efficient for high fields. We also show that for the C1 array at high fields, vortices depin following the conformal arches, from the edge to the center. For the C2 array, the depinning force is higher when compared to that of C1, because this particular conformal structure prevents the formation of easy vortex flow channels.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Novel and effective surface passivation for high efficiency n- and p-type Silicon solar cell

The project objective was to develop a novel Si surface passivation method using chalcogens, sulfur (S) and/or selenium (Se), as passivating elements, to withstand industry-standard high temperature contacting and metallization schemes for p-type Si based passivated emitter and rear contact (p-PERC) solar cells. The back surface passivation of PERC cells has been improved drastically with the invention and successful application of an Al 2 O 3 passivation layer. However, the front n + diffused junction surface is still poorly passivated by the standard amorphous silicon nitride (SiNx) anti-reflection coating (ARC) layer. This project sought to address the passivation challenges of both front n+ emitter and undiffused p-Si back surface. Improved p-PERC solar cell performance with open circuit voltage (V OC ) > 680 mV and efficiency of 22% were targeted to validate superior defect passivation properties as compared to standard SiO 2 / Al 2 O 3 passivation. During this project, we systematically investigated process-structure-properties-performance relationships of this novel advanced defect passivation approach. The S/Se passivation was carried out by reacting industrial Czochralski (Cz) Si wafers in H 2 S and H 2 Se gases in a chemical vapor deposition (CVD) reactor at temperatures up to 700°C. After an exhaustive optimization of the process parameters (temperature, time, and gas concentration), we established an optimized process and demonstrated extremely low surface recombination velocities (SRVs) of 1.5 cm/s and 8 cm/s on n-type and p-type Si, respectively, by S-passivation. In-depth surface and interface characterization were performed using soft x-ray and photoelectron spectroscopies (XPS, UPS, XES), combined with capacitance-voltage-frequency (C-V-f) measurements, to decipher the surface chemical/electronic structure and interface defect state densities. These measurements provided critical understanding of the defect passivation mechanism and elucidated the presence of surface S-Si bonds, a reduction of surface dipoles, and low interface state densities (D it ) < 10 11 cm -2 ev -1 . We also found that the Se-passivation is inferior to the S-passivation (by at least one order of magnitude in SRV). Application of the optimized S-passivation to the n+ diffused emitter surface led to a low surface recombination current density, J0 ≈ 40 fA/cm 2 (~ 1/4 of the industry-standard SiNx-passivation), and high implied V OC (686 mV) in p-PERC solar cell structures. The S-passivation process also was found to improve the bulk quality of the p-type Si, better than the SiO 2 or Al 2 O 3 passivation processes. After successful demonstration of efficient passivation of Si surface defects by S, we extensively studied the air, thermal, and illumination stability of the passivation structure. S-passivation itself degrades in air due to competing reactions with moisture and oxygen to form oxides, which can be eliminated by a SiNx capping layer (also acting as a anti-reflective coating). After SiNx process optimization, we demonstrated illumination and thermally stable S-passivation with SRV < 5 cm/s and J 0 < 80 fA/cm 2 . These enhancements in Si passivation, incorporated into p-PERC cells, achieved an efficiency of 19.93% with V OC = 649 mV, using manufacturing metallization and contacting schemes. The low cell performance (cell V OC is much less than the implied V OC = 686 mV, anticipated from surface passivation) was identified due to degradation of S-passivation during the metal firing step (out-diffusion of S from the Si interface to the SiNx surface). The S-passivation of Si surfaces shows significant promise with excellent passivation quality, essential for high performance (high V OC , high efficiency) solar cells. Integration of this innovative defect passivation into devices, however, demands further development of the capping layer, low temperature (<700°C) metallization process, and/or engineering of advanced device structures. Surface passivation-dominated advanced Si solar cells, such as tunnel oxide passivated contacts and Si heterojunctions, are increasingly of interest due to their high-performance potential and will have a growing photovoltaic market share in the near future.

14 SOLAR ENERGY↗