Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “GOLD”

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.

At least 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

In Situ/Operando Probing of Dynamic Phase Structures of Alumina‐Supported Ultrasmall Copper‐Gold Alloy Nanoparticles Under Reaction Conditions

Abstract The ability to control phase structures and surface sites of ultrasmall alloy nanoparticles under reaction conditions is essential for preparing catalysts by design. This is, however, challenging due to limited understanding of the atomic‐scale phases and their correlation with the ensemble‐averaged structures and activities of catalysts during catalytic reactions. We reveal here a dynamic structural stability of alumina‐supported ultrasmall and equiatomic copper‐gold alloy nanoparticles under reaction conditions as a model system in the in situ/operando study. In situ atomic‐scale morphological tracking under oxygen reveals temperature‐dependent dynamic crystalline‐amorphous dual‐phase structures, showing dynamic stability over an elevated temperature range. This atomic‐scale dynamic phase stability coincides with a “conversion plateau” observed for carbon monoxide oxidation on the catalyst. It is substantiated by the stable lattice ordering/disordering structures and surface sites with oscillatory characteristics shown by operando ensemble‐average structural tracking of the catalyst during the oxidation reaction. The understanding of the atomic‐scale dynamic phase structures in correlation with the ensemble‐average dynamic ordering/disordering phase structures and surface sites provides fresh insights into the unique synergy of the supported alloy nanoparticles. This understanding has implications for the design and structural tuning of active and stable ultrasmall alloy catalysts under elevated temperatures.

Chemistry↗
DOE OSTI2019

(CH 3 NH 3 ) AuX 4 ·H 2 O (X=Cl, Br) and (CH 3 NH 3 ) AuCl 4 : Low-Band Gap Lead-Free Layered Gold Halide Perovskite Materials

Perovskite solar cells have recently enabled power conversion efficiency comparable to established technologies such as silicon and cadmium telluride. Ongoing efforts to improve the stability of halide perovskites in ambient air has yielded promising results. However, the presence of toxic heavy element lead (Pb) remains a major concern requiring further attention. Herein, we report three new Pb-free hybrid organic–inorganic perovskite-type halides based on gold (Au), (CH 3 NH 3 )AuBr 4 ·H 2 O ( 1 ), (CH 3 NH 3 )AuCl 4 ·H 2 O ( 2 ), and (CH 3 NH 3 )AuCl 4 ( 3 ). Hydrated compounds 1 and 2 crystallize in a brand-new structure type featuring perovskite-derived 2D layers and 1D chains based on pseudo-octahedral AuX 6 building blocks. In contrast, the novel crystal structure of the solvent-free compound 3 shows an exotic non-perovskite quasi-2D layered structure containing edge- and corner-shared AuCl 6 octahedra. The use of Au metal instead of Pb results in unprecedented low band gaps below 2.5 eV for single-layered metal chlorides and bromides. Moreover, at room temperature the three compounds show a weak blue emission due to the electronic transition between Au-6s and Au-5d, in agreement with the density function theory (DFT) calculation results. These findings are discussed in the context of viability of Au-based halides as alternatives for Pb-based halides for optoelectronic applications.

13 HYDRO ENERGY↗
DOE OSTI2016

Trace-level perchlorate analysis of impacted groundwater by elevated gold ellipse dimer nanoantenna surface-enhanced Raman scattering

Perchlorate (ClO 4 - ) contamination has received increased attention the past two decades because of health concerns from its impact on thyroid function coupled with its environmental ubiquity and persistence. In this paper, we demonstrate the detection of ClO 4 - below micromolar (<1 × 10 -6 moles l -1 ) levels using a portable Raman instrument integrated with novel elevated gold (Au) ellipse dimer nanoantenna surface enhanced Raman scattering (SERS) architectures. The ellipse dimer nanoantenna architectures demonstrate improved ClO 4 - detection limits over previously reported SERS substrates while maintaining good reproducibility. The impact of chloride (Cl - ), nitrate (NO 3 - ), and sulfate (SO 4 2- ) interferences on the detection efficiency is systematically evaluated; SO 4 2- is found to exhibit the largest interference effect at low concentrations while at higher ion concentrations the interference effects among ions are similar. Finally and additionally, ClO 4 - concentrations on the order of 1 mg l -1 are determined in groundwaters collected from an US Department of Defense Navy site demonstrating the applicability of these SERS architectures for the rapid, field detection of trace-level ClO 4 - contamination within complex environmental samples.

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

Size‐Tunable Synthesis of Hollow Gold Nanospheres through Control of Reaction Temperature

Here, it is demonstrated that the size tunable hollow gold nanospheres (HGNs) of ≈24–122 nm in diameter can be facilely achieved by controlling a signal parameter, reaction temperature, in the synthesis. The varied particle sizes of HGNs result in highly tunable surface plasmon resonance (SPR) absorption in the entire visible to near infrared region of the spectrum, with maximum peak position from 565 to 850 nm when the reaction temperature is varied from 80 to 10 °C. The particle size and structural properties are determined using dynamic light scattering, transmission‐mode scanning electron microscopy, and high‐resolution transmission electron microscopy. The optical properties are characterized using UV–vis spectroscopy. A mechanism behind the temperature‐dependent HGN synthesis is explained by the thermodynamics of homogeneous nuclei formation of the cobalt scaffold. Discrete dipole approximation calculations are performed to simulate the SPR spectrum and provide insight into the relation between the SPR absorption and structural details of the HGNs. This study demonstrates a simple yet effective method based on temperature control for synthesizing produce size tunable HGNs with varying properties of interest for different applications.

Pu, Ying‐Chih↗
DOE OSTI2022

Structural Properties of Nanometer‐Sized Gold Nanoparticles on a Silicon Substrate

Properties of gold nanoparticles (Au NPs) supported on Si substrates, which have been the focus of recent attention, depend sensitively on the size, structure, and coordination of Au NPs as well as on the processes of interdiffusion and chemical bonding at the Au–Si interface. There is a great need, therefore, for developing structural techniques capable of imaging such nanosystems in atomic detail. Here, it is discussed how the atomic structure of nanometer‐sized Au NPs deposited on a silicon surface can be determined by using high‐energy X‐ray diffraction measurements in combination with an analysis based on atomic‐pair‐distribution functions and advanced reverse Monte Carlo methods. This approach delivers simple and incisive pictures of the structure of Au clusters on Si and reveals direct structural evidence for the emergence of a Au‐silicide interface following room temperature deposition of Au NPs on Si. This study will contribute to designing Au/Si nanostructures with desirable properties.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Panning for gold: Enhancing the precision of sensitivity test data

Sensitivity tests apply a range of stimulus values to experimental subjects and record binary responses in order to estimate the distribution of threshold values in the subject population, where thresholds delineate responses from nonresponses. In many applications, such as explosives engineering, individual tests are expensive and are conducted in small runs. Scarcity of data results in nonexistence of estimates, or estimates with low precision. Here, we discuss various methods, such as combining test runs, covariate analysis, and penalized maximum likelihood, for enhancing precision and “mining more gold” from expensive test results.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Bright NIR‐II Photoluminescence in Rod‐Shaped Icosahedral Gold Nanoclusters

Abstract Fluorophores with high quantum yields, extended maximum emission wavelengths, and long photoluminescence (PL) lifetimes are still lacking for sensing and imaging applications in the second near‐infrared window (NIR‐II). In this work, a series of rod‐shaped icosahedral nanoclusters with bright NIR‐II PL, quantum yields up to ≈ 8%, and a peak emission wavelength of 1520 nm are reported. It is found that the bright NIR‐II emission arises from a previously ignored state with near‐zero oscillator strength in the ground‐state geometry and the central Au atom in the nanoclusters suppresses the non‐radiative transitions and enhances the overall PL efficiency. In addition, a framework is developed to analyze and relate the underlying transitions for the absorptions and the NIR‐II emissions in the Au nanoclusters based on the experimentally defined absorption coefficient. Overall, this work not only shows good performance of the rod‐shaped icosahedral series of Au nanoclusters as NIR‐II fluorophores, but also unravels the fundamental electronic transitions and atomic‐level structure‐property relations for the enhancement of the NIR‐II PL in gold nanoclusters. The framework developed here also provides a simple method to analyze the underlying electronic transitions in metal nanoclusters.

Li, Qi↗
DOE OSTI2024

Machine Learning Discrimination and Ultrasensitive Detection of Fentanyl Using Gold Nanoparticle-Decorated Carbon Nanotube-Based Field-Effect Transistor Sensors

The opioid overdose crisis is a global health challenge. Fentanyl, an exceedingly potent synthetic opioid, has emerged as a leading contributor to the surge in opioid-related overdose deaths. The surge in overdose fatalities, particularly due to illicitly manufactured fentanyl and its contamination of street drugs, emphasizes the urgency for drug-testing technologies that can quickly and accurately identify fentanyl from other drugs and quantify trace amounts of fentanyl. In this paper, gold nanoparticle (AuNP)-decorated single-walled carbon nanotube (SWCNT)-based field-effect transistors (FETs) are utilized for machine learning-assisted identification of fentanyl from codeine, hydrocodone, and morphine. The unique sensing performance of fentanyl led to use machine learning approaches for accurate identification of fentanyl. Employing linear discriminant analysis (LDA) with a leave-one-out cross-validation approach, a validation accuracy of 91.2% is achieved. Meanwhile, density functional theory (DFT) calculations reveal the factors that contributed to the enhanced sensitivity of the Au-SWCNT FET sensor toward fentanyl as well as the underlying sensing mechanism. Finally, fentanyl antibodies are introduced to the Au-SWCNT FET sensor as specific receptors, expanding the linear range of the sensor in the lower concentration range, and enabling ultrasensitive detection of fentanyl with a limit of detection at 10.8 fg mL –1 .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

A preliminary study of photoacoustic/ultrasound dual-mode imaging in melanoma using MAGE-targeted gold nanoparticles

Nanoprobes are small enough to circulate within the vasculature and can reach tumour tissues through the endothelial gap, providing a new strategy for accurate tumour monitoring and imaging-guided antitumour therapy at the molecular level. Both photoacoustic and ultrasonic imaging are noninvasive tools for cancer detection via the application of nanoprobes. In this study, a polymeric multifunctional nanoparticle probe loaded with gold nanorods (Au-NRs) and liquid perfluorocarbon (perfluorinated hexane/PFH) and conjugated to a monoclonal antibody (MAGE-1 antibody) to melanoma-associated antigens (MAGE) targeting melanoma was successfully prepared by the double emulsion and carbodiimide methods as a targeted photoacoustic/ultrasound dual-mode imaging contrast agent (MAGE-Au-PFH-NPs). Cell-targeting experiments in vitro showed large amounts of MAGE-Au-PFH-NPs surrounding B16 melanoma cells in the targeted group. The photoacoustic signal in the targeted group was significantly increased, and the duration was longer than that in the untargeted group in vivo. The photoacoustic signal of the nanoprobes was enhanced with increased Au-NR concentration in the photoacoustic experiment in vitro. The enhanced signal was observed by ultrasound after 808-nm laser irradiation. A cytotoxicity and biocompatibility test showed that MAGE-Au-PFH-NPs exhibited good biological safety. The MAGE-Au-PFH-NPs can be used as a photoacoustic/ultrasound dual-mode contrast agent to lay the foundation for a promising new approach for the noninvasive targeting, monitoring and treatment of tumours.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Dataset of simulated vibrational density of states and X-ray diffraction profiles of mechanically deformed and disordered atomic structures in Gold, Iron, Magnesium, and Silicon

This dataset is comprised of a library of atomistic structure files and corresponding X-ray diffraction (XRD) profiles and vibrational density of states (VDoS) profiles for bulk single crystal silicon (Si), gold (Au), magnesium (Mg), and iron (Fe) with and without disorder introduced into the atomic structure and with and without mechanical loading. Included with the atomistic structure files are descriptor files that measure the stress state, phase fractions, and dislocation content of the microstructures. All data was generated via molecular dynamics or molecular statics simulations using the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) code. This dataset can inform the understanding of how local or global changes to a materials microstructure can alter their spectroscopic and diffraction behavior across a variety of initial structure types (cubic diamond, face-centered cubic (FCC), hexagonal close-packed (HCP), and body-centered cubic (BCC) for Si, Au, Mg, and Fe, respectively) and overlapping changes to the microstructure (i.e., both disorder insertion and mechanical loading).

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2021

Prostate Cancer Targeted X-Ray Fluorescence Imaging via Gold Nanoparticles Functionalized With Prostate-Specific Membrane Antigen (PSMA)

The gold nanoparticle (GNP) as a promising theranostic probe has been increasingly studied. The tumor-targeting efficiency of GNPs is crucial to increase the therapeutic ratio. In this study, we developed PSMA-targeted GNPs to enhance GNP uptake in prostate cancer and developed an x-ray fluorescence imaging system to noninvasively monitor and assess GNP delivery.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2020

Poly(N-isopropylacrylamide)-grafted gold nanoparticles at the vapor/water interface

Hypothesis: Grafting nanoparticles surfaces with water-soluble polymers modify interparticle interactions that are pivotal for assembling them into ordered phases. By manipulating salt concentrations of gold nanoparticles (AuNPs) that are grafted with poly(N-isopropylacrylamide) (PNIPAM-AuNPs), we hypothesize that various aggregated phases form at the suspension/vapor interface or in the bulk that depend on the molecular weight (MW) of PNIPAM and on salt concentrations. Experiments: AuNPs are grafted with thiolated PNIPAM of molecular weights of 3 or 6 kDa, and grafting is confirmed by dynamic light scattering. Liquid-surfaces X-ray reflectivity and grazing incidence small-angle X-ray scattering are used to determine the density profiles of the suspension/vapor interface and their inplane structure as salt is added to the suspensions. Findings: We observe that surface enrichment is induced by adding NaCl to the suspensions, and that at low salt concentrations, the monoparticle layer formed is dispersed, and above a threshold salt concentration, depending on MW of PNIPAM, the PNIPAM-AuNPs order in a hexagonal structure. We show that the lattice constant of the two-dimensional hexagonal structure varies with salt concentration, and more significantly with MW of PNIPAM.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Two-dimensional assembly of gold nanoparticles grafted with charged-end-group polymers

We introduced charged terminal groups to polymers that graft nanoparticles enable Coulombic control over their assembly by tuning the pH and salinity of their aqueous suspensions. Gold nanoparticles (AuNPs) are grafted with poly (ethylene glycol) (PEG) terminated with CH 3 (charge-neutral), COOH (negatively charged) or NH 2 groups (positively charged), and characterized with dynamic light scattering, ζ-potential, and thermal gravimetric analysis. Liquid surface X-ray reflectivity (XR) and grazing incidence small-angle X-ray scattering (GISAXS) are used to determine the density profile and in-plane structure of the AuNPs assembly at the aqueous surface. Assembly of PEG-AuNPs at the liquid/vapor interface is tunable by adjusting pH or salinity for COOH but less for NH 2 terminals. The distinct assembly behaviors are attributed to the overall charge of PEG-AuNPs as well as PEG conformation. COOH-PEG corona is more compact than those of the other terminal groups, leading to a crystalline structure with a smaller superlattice. The net charge per particle depends not only on the PEG terminal groups but also on the cation sequestration of PEG and the intrinsic negative charge of the AuNP surface. The closeness to overall charge neutrality, and hydrogen bonding in play, brought by NH 2 -PEG, drive NH 2 -PEG-AuNPs to assembly and crystallinity without additives to the suspensions.

36 MATERIALS SCIENCE↗
DOE OSTI2013

High coercivity sized controlled cobalt–gold core–shell nano-crystals prepared by reverse microemulsion

Graphical abstract: - Highlights: • Calculating the crystallinity percentage and percentage of phases presented in Co–Au core–shell nanoparticles. • Magnetic properties of four groups nanogarin: 5, 10, 15, 20 nm. • Single domain ferromagnetic materials with high coercivity at room temperature. • Intrinsic blocking temperature measured in zero field cooled-warmed (ZFC-W). - Abstract: Size-controlled cobalt–gold core–shell nanoparticles were synthesized via the reverse-micelle microemulsion method. In order to control the size of the nanoparticles, the nucleation and growth process were performed within a confined space by adjusting the water to surfactant ratio of reverse micelles solution during synthesis. The crystallinity percentage and percentage of phases presented in Co–Au core–shell nanoparticles were calculated using X-ray diffraction data. The results from transmission electron microscopy provide direct evidence for core–shell structure nanomaterials. Magnetic properties of the samples were investigated using a vibrating sample magnetometer. The as-prepared samples showed significant coercivity at room temperature. The intrinsic blocking temperature was experimentally deduced from zero-field-cooled warmed (ZFC-W) curves by a simple method without employing an external magnetic field. The B-field dependence temperature data of Co–Au nanoparticles exhibited an intrinsic blocking temperature at 45 K. Annealing these samples at 400 °C caused an increase in particle size, crystallinity percentage and further enhanced their magnetic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Neutral red interlinked gold nanoparticles/multiwalled carbon nanotubes hybrid nanomaterial and its application for the detection of NADH

Graphical abstract: - Highlights: • Fabricated a nanostructured hybrid material of GNPs/neutral red/MWCNTs. • GNPs decorated on MWCNT template by using neutral red as interlinker for first time. • Nanocomposite modified electrode employed successfully as sensor for NADH. • The electrode has high stability as it does not involve any biological entity. - Abstract: A novel nanocomposite of gold nanoparticles/neutral red/MWCNTs was prepared which was used to modify glassy carbon electrode. The prepared nanocomposite was physically characterized by scanning electron microscopy, transmission electron microscopy, zeta potential measurement, energy dispersive X-ray, FTIR spectroscopy, UV–visible spectroscopy. Electrochemical characterization was done using cyclic voltammetry technique. The modified glassy carbon electrode showed electrocatalytic activity toward the oxidation of NADH in 0.1 M phosphate buffer solution, pH 5.0. The modified electrode has better adhesion over the electrode surface, good stability as no leaching of neutral red based nanocomposite was observed. The oxidation of NADH started at 0.37 V and reached maxima at 0.52 V at the modified electrode surface. So the prepared composite modified electrode can be applied as electrochemical sensor for NADH. The sensitivity and detection limits of the modified glassy carbon electrode were found to be 0.588 μA/mM and 5 × 10{sup −7} at signal to noise ratio 3.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Defect annihilation in heavy ion irradiated polycrystalline gold

In this study, we explore the interaction of electron wind force (EWF) with defects originating from ion irradiation in-situ inside a transmission electron microscope. Nanocrystalline gold specimens were self-ion irradiated to a dose of 5 × 10 15 ions/cm 2 (45 displacement per atom) to generate a high density of displacement damage. We also developed a molecular dynamics simulation model to understand the associated atomic scale mechanisms. Both experiments and simulations show that the EWF can impart significant defect mobility even at low temperatures, resulting in the migration and elimination of defects in a few minutes. Overall, we propose that the EWF interacts with defects to create highly glissile Shockley partial dislocations, which makes the fast and low temperature defect annihilation possible.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Engineered nanomedicine for neuroregeneration: light emitting diode-mediated superparamagnetic iron oxide-gold core-shell nanoparticles functionalized by nerve growth factor

This article reports nerve growth factor functionalized superparamagnetic iron oxide–gold core-shell nanoparticles (NGF-SPIO-Au NPs), an engineered nanomedicine for non-invasive neuron regeneration when irradiated by a low-intensity light-emitting diode (LED). NGF-SPIO-Au NPs of 20 μg/ml, were tested on PC-12 neuron-like cells, irradiated by LEDs (525 nm, 1.09, 1.44, and 1.90 mW/cm2). A remarkable Ca 2+ influx was detected in differentiated PC-12 cells treated with NPs, irradiated by LED of 1.90 and 1.44 mW/cm 2 with great cell viability (>84%) and proliferations. The strong heat generated through their plasmonic surface upon LED irradiation on NGF-SPIO-Au NPs was observed. For cells treated with LED (1.90 mW/cm 2 ) and NGF-SPIO-Au NPs, a dramatic enhancement of neuronal differentiation (83%) and neurite outgrowth (51%) was found, and the upregulation of both the neural differentiation specific marker (β3-tubulin) and the cell adhesive molecule (integrin β1) was observed by the reverse transcription-polymerase chain reaction and western blot analysis.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

Simulation of Auger electron emission from nanometer-size gold targets using the Geant4 Monte Carlo simulation toolkit

We report that a revised atomic deexcitation framework for the Geant4 general purpose Monte Carlo toolkit capable of simulating full Auger deexcitation cascades was implemented in June 2015 release (version 10.2 Beta). An overview of this refined framework and testing of its capabilities is presented for the irradiation of gold nanoparticles (NP) with keV photon and MeV proton beams. The resultant energy spectra of secondary particles created within and that escape the NP are analyzed and discussed. It is anticipated that this new functionality will improve and increase the use of Geant4 in the medical physics, radiobiology, nanomedicine research and other low energy physics fields.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗