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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Iridium Nanocrystals Enriched with Defects and Atomic Steps to Enhance Oxygen Evolution Reaction Performance

The presence of defects can significantly improve catalytic activity and stability, as they influence the binding of the reactants, intermediates, and products to the catalyst. Controlling defects in the structures of nanocrystal catalysts is synthetically challenging. In this study, we demonstrate the ability to control the growth of Ir nanocrystals, enabling the tuning of both structural and surface defects. The Ir nanocrystals have unique structures that range from single crystals of a few nanometers to twinned nanoparticles and multiply twinned crystallites with a high density of atomic steps. Further, this approach of defect engineering enables us to understand their roles in enhancing the performance of the OER and producing an Ir catalyst with both high activity and stability. Our results show the importance of the concept of using synthetic control of structural and surface defects in metal nanoparticles as a strategy to improve catalytic performance.

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

System and method for rapid, high throughput, high pressure synthesis of materials from a liquid precursor

The present disclosure relates to a system and method for synthesis of condensed, nano-carbon materials to create nanoparticles. In one embodiment the system may have a source of liquid precursor, a flow control element and a shock wave generating subsystem. The flow control element is in communication with the source of the liquid precursor and creates a jet of liquid precursor. The shock wave generating subsystem drives a shock wave through at least a substantial portion of a thickness of the jet of liquid precursor to sufficiently compress the jet of liquid precursor, and to increase a pressure and a temperature of the jet of liquid precursor, to create solid state nanoparticles.

Armstrong, Mike↗
DOE OSTI2026

Valence-free open nanoparticle superlattices

A cornerstone of advanced materials design is establishing a framework for assembling nanoparticle superstructures with tailored symmetries. A longstanding challenge has been assembling diamond-like superstructures for photonic devices. Traditionally, such open superstructures require functionalized nanoparticles with directional or anisotropic interactions, reminiscent of valence bonding in a diamond. Here, we present a robust strategy for assembling valence-free nanoparticles into a broad array of cubic superstructures. By grafting nanoparticles with oppositely charged, end-functionalized water-soluble polymers of adjustable molecular weight, we gain control over electrostatic interactions and conformational constraints. This unified approach yields lattices analogous to rock salt, CsCl, zinc-blende, diamond, and the rare simple cubic phase, with tunable lattice constants. Theoretical models and simulations elucidate the underlying interactions, providing a framework for engineering valence-free nanoparticle superlattices.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Ceria Incorporation in Sinter-Resistant Platinum-Based Catalysts

Platinum group metals (PGM) are widely used for exhaust emission abatement. Sintering during the high-temperature emission control conditions decreases noble metal utilization efficiency. Efficient use of scarce noble metals requires sinter-resistant catalysts. Here we extend an approach to synthesize catalysts consisting of platinum nanoparticles encapsulated in a mixture of cerium and aluminum oxides (Pt@Al 2 O 3 -CeO 2 ). We tested the activity of this catalyst toward carbon monoxide, propene, and propane oxidation chosen as model oxidation reactions for emission control catalysts. Pt@Al 2 O 3 -CeO 2 catalysts demonstrated similar activity and stability upon aging as the comparison system without ceria, Pt@Al 2 O 3 , while maintaining small Pt nanoparticles and ceria crystallites. Additionally, we studied the influence of various thermal treatments on CO oxidation activity and determined that a steam treatment can activate low temperature CO oxidation activity of Pt@Al 2 O 3 -CeO 2 . STEM-EDS analysis revealed that thermal treatments led to the co-location of Pt and CeO 2 and temperature programmed-reduction analysis revealed that the steam treatment specifically enhanced CO oxidation activity through surface reduction of the CeO 2 . As a result, we demonstrate the versatility of this encapsulation approach to generate mixed metal-oxide supports with improved metal-support interactions without hindering nanoparticle stability.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Debonding-on-demand reversible adhesives via heat or light with competitive adhesion strength to conventional epoxy adhesives

Stimuli responsive debonding-on-demand (DoD) reversible adhesives are of great interest for the circular economy. However, the reversible adhesives developed so far often lack competitive adhesion strength in a bonding state. In this work, reversible epoxy adhesives based on Diels–Alder (DA) chemistry were developed and exhibited a competitive adhesion strength (e.g., 12 – 16 MPa of a lap shear strength) to commercial non-reversible epoxy adhesives. The reversible epoxy formulation showed superior thermal stability up to 110°C, and transition to a debonding state in the order of 0.1 MPa at 140°C, consequently, an on/off-type debonding behavior. The transition to a debonding state was attributed to crosslinking density control (e.g., decrease by 33% – 49%) through the reversible DA chemistry and the proximity to the glass transition. Next, for debonding by light stimulus, photothermal refractory plasmonic titanium nitride (TiN) nanoparticles were incorporated in the reversible epoxy, which can generate the required heat for debonding upon exposure to visible light. Photothermal debonding allows for precise debonding at target areas and tunable adhesion strength by controlling the exposure area and light intensity. The DA adhesive formulations containing 0.5 wt.% TiN nanoparticles presented a debonding state with zero adhesion under light exposure with intensity of 1670 mW/cm 2 (inducing 140°C). Even after three cycles of reattachment, the DA adhesive formulations retained 96% of the pristine sample’s adhesion strength measured at 110°C. Therefore, the DA adhesives are attractive candidates as reversible DoD systems applicable in higher temperatures.

42 ENGINEERING↗
DOE OSTI2023

Nonthermal plasma synthesis of silicon carbonitride

Abstract The use of a low‐temperature plasma for the synthesis of amorphous silicon carbonitride (SiCN) nanoparticles enables the realization of sintered bulk samples with high thermal stability. Amorphous SiCN nanoparticles are produced from a mixture of silane, methane, and ammonia utilizing a mid‐pressure, radio‐frequency, continuous flow reactor. Particle characterization shows that the nanoparticles are largely amorphous with some crystalline silicon and silicon carbide domains <10 nm in size. Compositional tuning, controlled by varying the precursor flow rates, coupled with the uniform mixing of elements at the nanoscale, results in samples that resist crystallization even when sintered at temperatures as high as 2000°C. This study suggests that the low‐temperature plasma synthesis of nanoparticles has great potential to produce bulk structural materials for application in harsh environments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Protein coating composition targets nanoparticles to leaf stomata and trichomes

Plant nanobiotechnology has the potential to revolutionize agriculture. However, the lack of effective methods to deliver nanoparticles (NPs) to the precise locations in plants where they are needed impedes these technological innovations. Here, model gold nanoparticles (AuNP) were coated with citrate, bovine serum albumin (BSA) as a protein control, or LM6-M, an antibody with an affinity for functional groups unique to stomata on leaf surfaces to deliver the AuNPs to stomata. One-month-old Vicia faba leaves were exposed via drop deposition to aqueous suspensions of LM6-M-coated AuNPs and allowed to air dry. After rinsing, Au distribution on the leaf surface was investigated by enhanced dark-field microscopy and X-ray fluorescence mapping. While citrate-coated AuNPs randomly covered the plant leaves, LM6M-AuNPs strongly adhered to the stomata and remained on the leaf surface after rinsing, and BSA-AuNPs specifically targeted trichome hairs. To the authors’ knowledge, this is the first report of active targeting of live leaf structures using NPs coated with molecular recognition molecules. Finally, this proof-of-concept study provides a strategy for future targeted nanopesticide delivery research.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Size dependent lattice pseudosymmetry for frustrated decahedral nanoparticles

Geometric frustration—where geometry prevents simultaneous satisfaction of local interactions—generates pseudosymmetry and emergent behaviors across physical and biological systems. At the nanoscale, pseudosymmetric features in crystalline materials manifest as local strain and distortion, but how they depend on particle size and control structural stability remains unclear. Here, we report the first study of a size-dependent crossover in pseudosymmetry in multi-twinned gold nanoparticles (NPs), combining four-dimensional scanning transmission electron microscopy with nanoscale strain mapping grounded in continuum solid mechanics. Analysis of more than 20 decahedral NPs (20–55 nm) reveals pronounced heterogeneity in multiple modes of in-plane strain and displacement field in small NPs as five tetrahedral grains close the geometric gap, without extended defects. With increasing particle size, strain fields homogenize across grains and local phases shift from predominantly low-symmetry body-centered tetragonal motifs at small sizes to face-centered cubic character approaching the bulk limit. We identify a crossover particle size of ~35 nm, well below bulk, correlating with a transition from modified-Wulff shapes to pentagonal bipyramids, consistent with finite element predictions. This quantitative framework for mapping size-dependent strain and pseudosymmetry enables precise design and control of functional crystalline solids and phase transformation for catalysis, photonics, electronics, and energy storage.

Lin, Oliver [University of Illinois at Urbana-Cham↗
DOE OSTI2025

Energy transfer between localized emitters in photonic cavities from first principles

Radiative and nonradiative resonant couplings between defects are ubiquitous phenomena in photonic devices used in classical and quantum information technology applications. In this work, we present a first-principles approach to enable quantitative predictions of the energy transfer between defects in photonic cavities, beyond the dipole-dipole approximation and including the many-body nature of the electronic states. As an example, we discuss the energy transfer from a dipolelike emitter to an 𝐹 center in MgO in a spherical cavity. We show that the cavity can be used to controllably enhance or suppress specific spin-flip and spin-conserving transitions. Specifically, we predict that an ∼10–100 enhancement in the resonant energy transfer rate can be gained in the case of the 𝐹 center in MgO at ∼10 nm distances from a dipolar source, using rather moderate cavity with quality factor 𝑄 ∼ 400. We also show that a similar suppression in the transfer rate can be achieved by off-tuning the cavity resonance relative to the emitter transition energy. The framework presented here is general and readily applicable to a wide range of devices where localized emitters are embedded in microspheres, core-shell nanoparticles, and dielectric Mie resonators. Hence, our approach paves the way to predict how to control energy transfer in quantum memories and in ultrahigh-density optical memories, and in a variety of quantum information platforms.

First-principles calculations↗
DOE OSTI2023

Physics and applications of dusty plasmas: The Perspectives 2023

Dusty plasmas are electrically quasi-neutral media that, along with electrons, ions, neutral gas, radiation, and electric and/or magnetic fields, also contain solid or liquid particles with sizes ranging from a few nanometers to a few micrometers. These media can be found in many natural environments as well as in various laboratory setups and industrial applications. As a separate branch of plasma physics, the field of dusty plasma physics was born in the beginning of 1990s at the intersection of the interests of the communities investigating astrophysical and technological plasmas. An additional boost to the development of the field was given by the discovery of plasma crystals leading to a series of microgravity experiments of which the purpose was to investigate generic phenomena in condensed matter physics using strongly coupled complex (dusty) plasmas as model systems. Finally, the field has gained an increasing amount of attention due to its inevitable connection to the development of novel applications ranging from the synthesis of functional nanoparticles to nuclear fusion and from particle sensing and diagnostics to nano-contamination control. The purpose of the present perspectives paper is to identify promising new developments and research directions for the field. As such, dusty plasmas are considered in their entire variety: from classical low-pressure noble-gas dusty discharges to atmospheric pressure plasmas with aerosols and from rarefied astrophysical plasmas to dense plasmas in nuclear fusion devices. Both fundamental and application aspects are covered.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Anomalous Anisotropic Nanoparticle Aggregation in Cu 2 (OH) 3 Br Gels

Aerogels are of interest for their ability to uniformly incorporate nanoscale features into macroscopic assemblies, which enabled applications that require low density, high surface area, and/or bicontinuous networks. The structure of the nanoporous network is intrinsically linked to the macroscopic properties of aerogels. Hence, control of this structure is of paramount importance. Small-angle X-ray scattering (SAXS) is used here to monitor nanoparticle aggregation in situ in Cu 2 (OH) 3 Br aerogels formed via epoxide-assisted gelation. Anomalous anisotropic aggregation is observed in the absence of templating agents and is attributed to the molecular structure of the inorganic nanoparticles themselves. This is a fundamental departure from the models currently used to describe traditional inorganic sol–gel chemistry where nanoparticles are believed to undergo isotropic diffusion- and/or kinetically limited aggregation. Time-resolved SAXS indicates that Cu 2 (OH) 3 Br nanoparticles nucleate rapidly from solution to form unbranched chain-like aggregates rather than branched mass-fractal aggregates. Sizes of primary particles (~1.5 nm) and the chain-like structure of their aggregates are independent of particle concentration (gel density), while rates of particle aggregation, gelation time, and aggregate size are strongly dependent upon particle concentration, which implies that the chemistry of particle formation and the physics of particle aggregation are independent processes. Because the conditions necessary for creating anisotropic structures are not unique to Cu 2 (OH) 3 Br, these results could provide insight into the structure and gelation mechanisms of other inorganic aerogels.

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

Role of the Solvent–Surfactant Duality of Ionic Liquids in Directing Two-Dimensional Particle Assembly

Nanoparticle self-assembly plays a key role in formation of superlattices, which exhibit remarkable physical and chemical properties. However, controlling assembly remains a challenge partly due to a lack of understanding of the assembly dynamics and the difficulty in linking interfacial solution properties to interparticle forces. In this study, using liquid-cell transmission electron microscopy, self-assembly of gold nanoparticles (NPs) into superlattices in mixtures of water and ionic liquid (IL) was visualized, revealing a dual role of the IL in the assembly process. At intermediate concentrations, the IL acts as a surfactant stabilizing the particles at a well-defined equilibrium separation corresponding to the length of hydrogen bonded IL cations adsorbed onto neighboring NPs. Analysis of the interparticle forces reveals attractive long-range interactions of a van der Waals nature. At separations of 1-3 nm, interactions are dominated by attractive ion correlation and repulsive hydration forces giving rise to an energy minimum at 1.5 nm separation. The superlattice is further stabilized by hydrogen bonding, which shifts the equilibrium interparticle distance to 1.1 nm. In contrast, at higher concentrations, IL accumulates and forms a structured network in the gap between nanoparticles, where it acts as a solvent that eliminates the repulsive barrier and thus promotes particle coalescence. This solvent-surfactant duality of IL opens new opportunities for their use in directing particle assembly.

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

Altering Terahertz Sound Propagation in a Liquid upon Nanoparticle Immersion

One of the grand challenges of new generation Condensed Matter physicists is the development of novel devices enabling the control of sound propagation at terahertz frequency. Indeed, phonon excitations in this frequency window are the leading conveyor of heat transfer in insulators. Their manipulation is thus critical to implementing heat management based on the structural design. To explore the possibility of controlling the damping of sound waves, we used high spectral contrast Inelastic X-ray Scattering (IXS) to comparatively study terahertz acoustic damping in a dilute suspension of 50 nm nanospheres in glycerol and on pure glycerol. Bayesian inference-based modeling of measured spectra indicates that, at sufficiently large distances, the spectral contribution of collective modes in the glycerol suspension becomes barely detectable due to the enhanced damping, the weakening, and the slight softening of the dominant acoustic mode.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Computationally aided, entropy-driven synthesis of highly efficient and durable multi-elemental alloy catalysts

Multi-elemental alloy nanoparticles (MEA-NPs) hold great promise for catalyst discovery in a virtually unlimited compositional space. However, rational and controllable synthesize of these intrinsically complex structures remains a challenge. Here, we report the computationally aided, entropy-driven design and synthesis of highly efficient and durable catalyst MEA-NPs. The computational strategy includes prescreening of millions of compositions, prediction of alloy formation by density functional theory calculations, and examination of structural stability by a hybrid Monte Carlo and molecular dynamics method. Selected compositions can be efficiently and rapidly synthesized at high temperature (e.g., 1500 K, 0.5 s) with excellent thermal stability. We applied these MEA-NPs for catalytic NH 3 decomposition and observed outstanding performance due to the synergistic effect of multi-elemental mixing, their small size, and the alloy phase. We anticipate that the computationally aided rational design and rapid synthesis of MEA-NPs are broadly applicable for various catalytic reactions and will accelerate material discovery.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Stable and Catalytically Active Shape-Engineered Cerium Oxide Nanorods by Controlled Doping of Aluminum Cations

Shape-engineered nanocrystals (SENs) promise a better selectivity and a higher activity in catalytic reactions than the corresponding non-shape-engineered ones because of their larger specific surface areas and desirable crystal facets. However, often, it is challenging to apply SENs in practical catalytic applications at high reaction temperatures, where SENs deforms into more stable, less active nanoparticles. In this paper, we show that atomic layer deposition (ALD) of Al 2 O 3 at 200 °C can controllably dope Al cations into the shape-engineered CeO 2 nanorods (NRs) to not only increase their shape transition temperature from 400 °C to beyond 700 °C but also greatly increase their specific reversible oxygen storage capacity (srOSC). Furthermore, the substituted Al3+ ions impede the surface diffusion of Ce ions and therefore improve the thermal stability of CeO 2 NRs. These Al3+ dopants form -Al–O–Ce–O– clusters, which are new Ce species and can be reversibly reduced and oxidized at 500–700 °C. This low-temperature chemical doping method decouples the synthesis process of SENs from the doping process and maintains the shape of the SENs during the activation of dopants. This concept could be adopted to enable the applications of other SENs in challenging high-temperature environments.

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

Electrochemical Degradation of Pt 3 Co Nanoparticles Investigated by Off-Lattice Kinetic Monte Carlo Simulations with Machine-Learned Potentials

In fuel cell applications, the durability of catalysts is critical for large-scale industrial implementation. However, limited synthesis controllability and spectroscopic resolution impede a comprehensive understanding of degradation mechanisms at the atomic level. In this study, we develop a machine-learned potential (MLP) to simulate the degradation processes for Pt3Co nanoparticles. The precision of MLP is determined to be comparable to that of density functional theory calculations. Using off-lattice kinetic Monte Carlo simulations with MLP, we successfully replicate established experimental trends and offer a logical resolution to ongoing debates regarding atomic orderings. Based on the simulation results, we suggest design principles for Pt3Co nanoparticles that combine high activity and durability. Finally, we validate the wide applicability of our method by successfully applying it to Pt3Ni and Pt3Co0.5Ni0.5 nanoparticles. The research serves as a guideline for developing MLPs for alloy electrochemical catalysts and lays the foundation for designing more durable and active fuel-cell catalysts.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Scalable Synthesis of Pt/SrTiO 3 Hydrogenolysis Catalysts in Pursuit of Manufacturing-Relevant Waste Plastic Solutions

Here, an improved hydrothermal synthesis for shape-controlled, size-controlled 60 nm SrTiO 3 nanocuboid (STO NC) supports, which facilitates the scalable creation of platinum nanoparticles catalyst supported on STO (Pt/STO) for the chemical conversion of waste polyolefins, is reported herein. This synthetic method: 1) produces STO NC supports with average sizes ranging from 25 – 80 nm with narrow size distributions 2) demonstrates how SrCO 3 formation and variation in solution pH prevent the formation of STO NCs, and 3) establishes that STO nucleation prior to the hydrothermal treatment favors nanocuboid formation. The updated hydrothermal synthesis was scaled-up and conducted in a 4L batch reactor, resulting in STO NCs of comparable size and morphology (m = 22.5 g, d avg = 58.6 ± 16.2 nm) to those synthesized under standard hydrothermal conditions in a lab-scale 125 mL autoclave reactor. Size-controlled STO NCs, ranging in roughly 10 nm increments from the 25 nm to 80 nm, were used to support Pt deposited through strong electrostatic adsorption (SEA), a practical and scalable solution-based method. Using SEA techniques and a STO support with an average size of 39.3 ± 6.3 nm, a Pt/STO catalyst with 3.6 wt% Pt was produced and used for high-density polyethylene hydrogenolysis under previously-reported conditions (170 psi H 2 , 300°C, 96h; final product: M w = 2400, Ð = 1.03). As a well-established model system for studying the behavior of heterogeneous catalysts and their supports in reactions, the Pt/STO system detailed in this work presents a unique opportunity to simultaneously convert waste plastic into commercially-viable products while gaining fundamental insight into the mechanism of polyethylene hydrogenolysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗