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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
NASA NTRSDate not supplied

A Study of the Kinetics of the CO Oxidation Catalyst in a Human Spaceflight Fire Cartridges as a Method to Understand and Predict Performance

Fire Cartridges (FC) are an integral part of fire response on ISS, Orion and Gateway. When a pair of FCs are integrated with an Emergency Mask, they can be used to provide safe breathing air on these vehicles in a post-fire environment. The FCs have two primary mechanisms for removing contaminants from the air, an activated carbon (AC) bed which adsorbs the majority of fire byproducts, and a catalyst bed consisting of gold nanoparticles supported on iron oxide which oxidized CO to CO2 under near ambient conditions. While the FC catalyst has proven its ability to convert CO under relevant conditions, this paper attempts to address the apparent inconsistent performance of the catalyst seen in testing. Numerous variables effect the performance of the catalyst, including but not limited to: reaction environment, reactant gas composition, inert gas composition, catalyst age, and catalyst lot. This paper discusses the importance of these variables and attempts a fundamental mechanistic explanation for the effects of each variable. The fundamental mechanisms are then used to establish the magnitude of expected performance variability, which were validated against real test data of flight quality FCs.

Fire Cartridge↗
NASA NTRS2024

Crowd-Sourced Technology Challenge for Improving Visual Color Detection of Hydrazine and Monomethylhydrazine Vapors in Spacecraft Environments

NASA currently uses a visual colorimetric detection method for potential hydrazine, monomethylhydrazine (MMH), or unsymmetrical dimethylhydrazine (UDMH) contamination in the International Space Station. Astronauts exposed to propellants or their residues during extravehicular activities may transfer contaminants into the airlock. The colorimetric detection method employs the Contamination Detection Kit (CDK), which uses a potassium tetrachloroaurate redox reaction with the propellant hydrazine vapors and a color comparison card to determine airborne concentrations. Seeking ideas for improvement, the NASA Tournament Lab (NTL) crowdsourced a way to tackle the challenge of detecting hydrazine and MMH vapors using colorimetric detection methods. This Rid the Rocket competition drew over 200 participants and 20 submissions from around the world proposing innovative ways to develop a new chemical colorimetric detection method for hydrazine and MMH vapors on spacecraft. Using a phased approach to evaluate contestants, NASA eventually narrowed the field to five finalists from the United States, Romania, Taiwan, and India. Concept papers and hardware submissions were judged on feasibility, creativity, and ability to detect hydrazine and MMH vapors before being sent to the NASA White Sands Test Facility for laboratory evaluation. Finalists employed variations of sampling methods and color-detection chemistry using a variety of sampling pumps and indicator pads or solutions—including those employing potassium or hydrogen tetrachloroaurate, para -dimethylaminobenzaldehyde (PDAB), and modifiers including sodium metasilicate and cetyltrimethylammonium bromide—to enhance gold nanoparticle formation and surface plasmon resonance (SPR) resulting in visual blue to purple color development. This paper presents a summary of the crowdsourced submissions and results of laboratory testing.

Crowd-Sourced↗
DOE OSTI2024

Scalable and adaptable two-ligand co-solvent transfer methodology for gold bipyramids to organic solvents

Large and faceted nanoparticles, such as gold bipyramids, presently require synthesis using alkyl ammonium halide ligands in aqueous conditions to stabilize the structure, which impedes subsequent transfer and suspension of such nanoparticles in low polarity solvents despite success with few nanometer gold nanoparticles of shapes such as spheres. Phase transfer methodologies present a feasible avenue to maintain colloidal stability of suspensions and move high surface energy particles into organic solvent environments. Here, we present a method to yield stable suspensions of gold bipyramids in low-polarity solvents, including methanol, dimethylformamide, chloroform, and toluene, through the requisite combination of two capping agents and the presence of a co-solvent. By utilizing PEG-SH functionalization for stability, dodecanethiol (DDT) as the organic-soluble capping agent, and methanol to aid in the phase transfer, gold bipyramids with a wide-range of aspect ratios and sizes can be transferred between water and chloroform readily and maintain colloidal stability. Subsequent transfer to various organic and low-polarity solvents is then demonstrated for the first time.

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

Liquid Crystal Films as Active Substrates for Nanoparticle Control

Organizing nanoparticles in a controlled way allows us to monitor their optical properties. It is particularly interesting to organize them on top of liquid crystal films to take advantage, in a second step, of the easy actuation of liquid crystals with external parameters such as temperature, electric fields, and so forth. We show that despite their fluidity, nematic and smectic films allow the formation of well-ordered hexagonal domains of gold spherical nanoparticles (AuNPs) at their surface, but we also show that both nematic films and AuNP domains impact each other. Using optical microscopy, atomic force microscopy (AFM), scanning electron microscopy (SEM), and spectrophotometry, we compare nematic, polymer-stabilized nematic, and smectic films with AuNP domains made of NPs of diameter 6 nm. On the liquid crystal films, depressions are revealed below the AuNP domains, whereas the AuNP domains appear well-organized but with a hexagonal period shortened with respect to AuNP monolayers formed on hard substrates. We interpret these features by the anchoring tilt imposed by the AuNP domains on the liquid crystal molecules. The smectic-A layers characteristic of the nematic surface transform into smecticC layers, which induce the formation of depression. Here, the energy penalty associated with the local smectic-A/smectic-C transition induces the shortening of the AuNP domain period in order to decrease the AuNP domain surface. The observed large depth of the polymer-stabilized nematic depressions below AuNP domains may be explained either by an increased size of the polymer-stabilized smectic layers close to the surface or by an increased number of polymer-stabilized smectic liquid crystal smectic layers close to the surface with respect to pure nematic films.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Three-dimensional coherent Bragg imaging of spontaneously rotating nanoparticles

This dataset contains spontaneous rocking curves of individual 60 nm gold particles, measured as CDI patterns in the Bragg geometry. The dataset provides a higher-quality alternative to ID 151, and is collected at lower energy, shorter detector distance (~120 mm) and using a He-filled flight tube. Additionally, this data includes measurements along the (111), (200), and (220) directions, providing access to multiple strain directions.

60 nm truncated-octrahedral gold nanoparticles↗
DOE OSTI2025

De Nive Quinquangula: Pentagonal Snowflake Metal Nanocrystals as an Example of Emergence Phenomenon in Nanotechnology Complex Systems

The formation of snowflakes (SFL) is one of the most captivating phenomena in nature. The fabrication of multimetallic gold (Au) nanoparticles containing copper (Cu) and iron (Fe) is reported, which adopt snowflake-like morphology after nanoparticle aggregation. The synthesis of these snowflake-like Au microcrystals occurs mainly by kinetic control. In this process, a surfactant-assisted salt reduction method is employed on a heated substrate. Here, the metal salts react within seconds to form nanoparticles. This process results in a hierarchical structure with pseudo-pentagonal symmetry and chiroptical activity. We discuss how large superstructures emerge from nanoparticle aggregation, resembling natural snowflakes. However, unlike ice snowflakes, which exhibit hexagonal symmetry, the Au snowflakes display pentagonal symmetry. It is proposed that the formation of these snowflake-like microcrystals is the result of the complexity involved in the crystal growth process and represents an example of the phenomenon of emergence, which has become very significant in several fields of modern science, including physics, biology, chemistry, economics, philosophy, and poetry. The term emergent is used to evoke the collective behavior of a large number of microscopic constituents that is qualitatively different than the behaviors of the individual constituents.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Electronic Structure of the Au Nanoparticle-TiO 2 Heterojunction: Influence of Nanoparticle Size, Shape, Oxygen Vacancies, and Temperature

The electronic structure of the gold nanoparticle-titanium dioxide (AuNP-TiO 2 ) heterojunction plays a critical role for charge transfer and recombination dynamics that underpin its photocatalytic function. However, building a representative model to capture the key physics remains a significant challenge. Here, we investigate the influence of the AuNP size and shape, as well as oxygen vacancy (V O ) defects at the anatase-phase TiO 2 (101) surface and the temperature of the heterojunction, on its interfacial electronic properties. Using density functional theory (DFT), we compare the closed-shell Au 20 and open-shell Au 19 clusters interfaced with pristine and V O defect TiO 2 surfaces. We find that the presence of a V O defect transforms pure TiO 2 from a p-type to an n-type semiconductor, reversing the interfacial band bending from downward to upward. For the heterosystem, density of states (DOS) analysis shows that V O minimally affects the open-shell Au 19 -TiO 2 system, but it significantly alters the closed-shell Au 20 -TiO 2 system, converting it from p-type to n-type at the Γ-point at 0 K. Furthermore, ab initio molecular dynamics (AIMD) simulations at 300 K reveal significant thermal fluctuations in AuNP positions relative to the TiO 2 surface. These fluctuations result in dynamic variations in the gap between the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) in all systems studied: Au 19 NP-Pristine TiO 2 , Au 20 NP-Pristine TiO 2 , Au 19 NP-V O defect TiO 2 , and Au 20 NP-V O defect TiO 2 . Complementary Bader charge analysis performed at both 0 K and finite-temperature AIMD snapshots supports the emergence of an upward band bending and the formation of a Schottky barrier at the V O containing heterojunctions. Notably, we find that at finite temperature, an Au atom can dynamically passivate the V O , leading to a pronounced widening of the HOMO-LUMO gap in the AuNP-V O defect TiO 2 heterojunctions. Our computational findings underscore the pivotal role of the V O defect and thermal effects in modulating interfacial band alignment, electronic states, and HOMO-LUMO gaps, providing insights for designing Au-TiO 2 heterojunctions with tailored electronic properties.

Mora Perez, Carlos [Lawrence Berkeley National Lab↗
DOE OSTI2022

Ethanol Electrooxidation at 1–2 nm AuPd Nanoparticles

We report a systematic study of the electrocatalytic properties and stability of a series of 1–2 nm Au, Pd, and AuPd alloy nanoparticles (NPs) for the ethanol oxidation reaction (EOR). Following EOR electrocatalysis, NP sizes and compositions were characterized using aberration-corrected scanning transmission electron microscopy (ac-STEM) and energy dispersive spectroscopy (EDS). Two main findings emerge from this study. First, alloyed AuPd NPs exhibit enhanced electrocatalytic EOR activity compared to either monometallic Au or Pd NPs. Specifically, NPs having a 3:1 ratio of Au:Pd exhibit an ~8-fold increase in peak current density compared to Pd NPs, with an onset potential shifted ~200 mV more to the negative compared to Au NPs. Second, the size and composition of AuPd alloy NPs do not (within experimental error) change following 1.0 or 2.0 h chronoamperometry experiments, while monometallic Au NPs increase in size from 2 to 5 nm under the same conditions. Notably, this report demonstrates the importance of post-catalytic ac-STEM/EDS characterization for fully evaluating NP activity and stability, especially for 1–2 nm NPs that may change in size or structure during electrocatalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Deciphering Photochemical Reaction Pathways of Aqueous Tetrachloroauric Acid by X-ray Transient Absorption Spectroscopy

Photolysis reaction pathways of [Au(III)Cl 4 ] - in aqueous solution have been investigated by time-resolved X-ray absorption spectroscopy. Ultraviolet excitation directly breaks the Au-Cl bond in [Au(III)Cl 4 ] - to form [Au(II)Cl 3 ] - that becomes highly reactive within 79 ps. Disproportionation of [Au(II)Cl 3 ] - generates [Au(I)Cl 2 ] - , which is stable for ≤ 10 mu s. In contrast, intense near-infrared lasers photolyze water to generate hydrated electrons, which then reduce [Au(III)Cl 4 ] - to [Au(II)Cl 3 ] - at 5 ns. Hydrated electrons further induce a chain reaction from [Au(II)Cl 3 ] - to [Au(0)Cl] - by successively removing one Cl - . The zero-valency Au anions quickly polymerize and condense to form Au nanoparticles, which become the dominating product after 400 s. Here our results reveal that the condensation of zero-valency Au starts with dimerization of gold clusters coordinated with chloride ions rather than direct condensation of pristine Au atoms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Using Aggregation to Chaperone Nanoparticles Across Fluid Interfaces

Nanoparticles (NPs) transfer is usually induced by adding ligands to modify NP surfaces, but aggregation of NPs oftentimes hampers the transfer. Here, we show that aggregation during NP phase transfer does not necessarily result in transfer failure. Using a model system comprising gold NPs and amphiphilic polymers, we demonstrate an unusual mechanism by which NPs can undergo phase transfer from the aqueous phase to the organic phase via a single-aggregation-single pathway. Our discovery challenges the conventional idea that aggregation inhibits NP transfer and provides an unexpected pathway for transferring larger-sized NPs (>20 nm). The charged amphiphilic polymers effectively act as chaperons for the NP transfer and offer a unique way to manipulate the dispersion and distribution of NPs in two immiscible liquids. Moreover, by intentionally jamming the NP-polymer assembly at the liquid/liquid interface, the transfer process can be inhibited.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Ultrafast relaxation dynamics in bimetallic plasmonic catalysts

Combining a plasmonic metal, such as gold, with other popular catalysts, such as Ni or Pt, can extend its benefits to many energy-extensive reactions catalyzed by those metals. The efficiency of a plasmon-enhanced catalytic reaction is mainly determined by the light absorption cross section and the photoexcited charge carrier relaxation dynamics of the nanoparticles. Here we have investigated the charge carrier relaxation dynamics of gold/nickel (Au/Ni) and gold/platinum (Au/Pt) bimetallic nanoparticles. We found that the addition of Ni or Pt to gold can reduce light absorption in gold nanoparticles. However, electron–phonon coupling rates of Au/Ni and Au/Pt nanoparticles are significantly faster than that of pure Au nanoparticles. This is due to the fact that both Ni and Pt possess significantly larger electron–phonon coupling constants and higher densities of states near the Fermi level in comparison with Au. Additionally, the phonon–phonon coupling rate of bimetallic Au/Pt and Au/Ni nanoparticles was significantly different from that of pure gold nanoparticles, due to the acoustic impedance mismatch at the nanoparticle/substrate interface. Our findings provide important insights into the rational design of bimetallic plasmonic catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Compositional Phase Control in High-Entropy Alloy Electrocatalysts

High-entropy alloys (HEAs) provide uniquely tunable structural and electronic properties that enable robust electrocatalysis. While compositional manipulation of HEAs is well-known, systematically controlling the crystalline phase and morphology remains a challenge that could provide new avenues for controlling reactive sites and physical properties. Here, we show the preferential stabilization of mixed fcc/bcc to fcc phases by controlling the Au content in quinary AuPdFeCoNi HEA nanoparticles. This systematic structural and compositional control, when investigated with an ensemble of electronic, X-ray synchrotron, and surface techniques, allows us to identify the critical short- (few-Å) and medium- (6–10 Å) range structural motifs that deliver exceptional hydrogen evolution reaction (HER) catalysis. Specifically, these HEAs exhibit both outstanding durability (240 h) and high mass activity (50 A/mg PGM ) normalized to noble metal content, outperforming commercial Pt/C (3.18 A/mg PGM ). This structural control over HEA morphology, and its direct association with changes in specific metallic oxidation states and pair–pair atomic structural features, provides new means and strategies for finely designing robust and sustainable electrocatalysts with a majority nonprecious metal composition.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Atomically Precise Nanoclusters as Co‐Catalysts for Light‐Activated Microswimmer Motility

Microswimmers are self-propelled particles that navigate fluid environments, offering significant potential for applications in environmental pollutant decomposition, biosensing, and targeted drug delivery. Their performance relies on engineered catalytic surfaces. Gold nanoclusters (AuNCs), with atomically precise structures, tunable optical properties, and high surface area-to-volume ratio, provide a new optimal catalyst for enhancing microswimmer propulsion. Unlike bulk gold or nanoparticles, AuNCs may deliver tunable photocatalytic activity and increased catalytic specificity, making them ideal co-catalysts for hybrid microswimmers. For the first time, this study combines AuNCs with TiO 2 /Cr 2 O 3 Janus microswimmers, combining the unique properties of both materials. This hybrid system capitalizes on the tuned optical properties of AuNCs and their role as co-catalysts with TiO 2 , driving enhanced photocatalytic performance under ultraviolet (UV) excitation. Using motion analysis, it is shown that the AuNC-microswimmers exhibit significantly greater propulsion and mean squared displacement (MSD) as compared to controls. These findings suggest that the integration of nanoclusters with semiconductor materials enables state of the art, light-switchable microswimmers. These AuNC-microswimmer systems may thus offer new opportunities for environmental catalysis and other applications, providing precise control over catalytic and motile behaviors at the microscale.

36 MATERIALS SCIENCE↗