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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 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Cetyltrimethylammonium Bromide/Chloride on Gold Nanocrystals Can Be Directly Replaced with Tri-Citrate

This work demonstrates an effective method for directly exchanging the toxic cetyltrimethylammonium bromide/chloride (CTAB/C) on Au nanocrystals with tri-citrate. Our experimental and computational studies indicate that counterion plays a vital role in the exchange process. Specifically, when citrate species bind to Au surface, they all evolve into tri-citrate with different counterions. In the case of three H + counterions, tri-citrate could readily replace the CTAB/C due to a strong binding of the carboxylate group with the Au surface. The substitution of H + counterion by Na + or K + weakens the binding strength and thus compromises the exchange. Additionally, our quantitative measurements and theoretical calculations indicate that Au nanospheres encased by high-index facets are advantageous over their counterparts enclosed by {111} and/or {100} facets for the exchange owing to the difference in binding strength. The mechanistic insights and experimental control should be extendable to other combinations of surface ligands and metal nanocrystals.

adsorption↗
DOE OSTI2023

Type-I CdS/ZnS Core/Shell Quantum Dot-Gold Heterostructural Nanocrystals for Enhanced Photocatalytic Hydrogen Generation

Developing Type-I core/shell quantum dots is of great importance toward fabricating stable and sustainable photocatalysts. However, the application of Type-I systems has been limited due to the strongly confined photogenerated charges by the energy barrier originating from the wide-bandgap shell material. In this project, we found that through the decoration of Au satellite-type domains on the surface of Type-I CdS/ZnS core/shell quantum dots, such an energy barrier can be effectively overcome and an over 400-fold enhancement of photocatalytic H(2) evolution rate was achieved compared to bare CdS/ZnS quantum dots. Transient absorption spectroscopic studies indicated that the charges can be effectively extracted and subsequently transferred to surrounding molecular substrates in a subpicosecond time scale in such hybrid nanocrystals. Based on density functional theory calculations, the ultrafast charge separation rates were ascribed to the formation of intermediate Au2S layer at the semiconductor-metal interface, which can successfully offset the energy confinement introduced by the ZnS shell. In conclusion, our findings not only provide insightful understandings on charge carrier dynamics in semiconductor-metal heterostructural materials but also pave the way for the future design of quantum dot-based hybrid photocatalytic systems.

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

Luminescent Bimetallic Two-Coordinate Gold(I) Complexes Utilizing Janus Carbenes

A series of bimetallic carbene-metal-amide (cMa) complexes have been prepared with bridging biscarbene ligands to serve as a model for the design of luminescent materials with large oscillator strengths and small energy differences between the singlet and triplet states (ΔE ST ). The complexes have a general structure (R 2 N)Au(:carbene—carbene:)Au(NR 2 ). The bimetallic complexes show solvation-dependent absorption and emission that is analyzed in detail. It is found that the molar absorptivity of the bimetallic complexes is correlated with the energy barrier to rotation of the metal–ligand bond. The bimetallic cMa complexes also exhibit short emission lifetimes (τ = 200–300 ns) with high photoluminescence efficiencies (Φ PL > 95%). The radiative rates of bimetallic cMa complexes are 3–4 times faster than that of the corresponding monometallic complexes. Analysis of temperature-dependent luminescence data indicates that the lifetime for the singlet state (τS 1 ) of bimetallic cMa complexes is near 12 ns with a ΔE ST of 40–50 meV. Here the presented compounds provide a general design for cMa complexes to achieve small values for ΔE ST while retaining high radiative rates. Solution-processed organic light-emitting devices (OLEDs) made using two of the complexes as luminescent dopants show high efficiency and low roll-off at high luminance.

14 SOLAR ENERGY↗
DOE OSTI2018

Electrocatalytic Study of the Oxygen Reduction Reaction at Gold Nanoparticles in the Absence and Presence of Interactions with SnO x Supports

Here we report that density functional theory (DFT) can be used to accurately predict how Au nanoparticle (NP) catalysts cooperate with SnO x ( x = 1.9 or 2.0) supports to carry out the oxygen reduction reaction (ORR). Specifically, dendrimers were used to encapsulate AuNPs and prevent their interactions with the underlying SnO x supports. After removal of the dendrimers, however, the AuNPs are brought into direct contact with the support and hence feel its effect. The results show that both SnO 1.9 and SnO 2.0 supports strongly enhance the electrocatalytic properties of AuNPs for the ORR. In the case of AuNP interaction with a SnO 1.9 support, the number of electrons involved in the ORR ( n eff ) increases from 2.1 ± 0.2 to 2.9 ± 0.1 following removal of the dendrimers, indicating an increased preference for the desired four-electron product (water), while the overpotential decreases by 0.32 V. Similarly, direct interactions between AuNPs and a SnO 2.0 support result in an increase in n eff from 2.2 ± 0.1 to 3.1 ± 0.1 and a reduction of the overpotential by 0.28 V. These experimental results are in excellent agreement with the theoretically predicted onset potential shift of 0.30 V. According to the DFT calculations, the observed activity enhancements are attributed to the existence of anionic Au resulting from electron transfer from surface oxygen vacancies within the SnO x supports to the AuNPs. This theoretical finding was confirmed experimentally using X-ray photoelectron spectroscopy. Importantly, the calculations reported here were performed prior to the experiments. Furthermore, this study represents an unusual case of theory accurately predicting the electrocatalytic manifestation of strong metal support interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Seed-Mediated Growth of Gold Nanocrystals: Changes to the Crystallinity or Morphology as Induced by the Treatment of Seeds with a Sulfur Species

We report our observation of changes to the crystallinity or morphology during seed-mediated growth of Au nanocrystals. When single-crystal Au seeds with a spherical or rod-like shape were treated with a chemical species such as S₂O₃²⁻ ions, twin defects were developed during the growth process to generate multiply twinned nanostructures. X-ray photoelectron spectroscopy analysis indicated that the S₂O₃²⁻ ions were chemisorbed on the surfaces of the seeds during the treatment. The chemisorbed S₂O₃²⁻ ions somehow influenced the crystallization of Au atoms added onto the surface during a growth process, leading to the formation of twin defects. In contrast to the spherical and rod-like Au seeds, the single-crystal structure was retained to generate a concave morphology when single-crystal Au seeds with a cubic or octahedral shape were used for a similar treatment and then seed-mediated growth. The different outcomes are likely related to the difference in spatial distribution of S₂O₃²⁻ ions chemisorbed on the surface of a seed. This approach based on surface modification is potentially extendable to other noble metals for engineering the crystallinity and morphology of nanocrystals formed via seed-mediated growth.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Electron transfer at the contact between Al electrode and gold nanoparticles of polymer: Nanoparticle resistive switching devices studied by alternating current impedance spectroscopy

Electron transfer at the contact between an Al electrode and Au nanoparticles of polymer:nanoparticle devices is studied by ac impedance spectroscopy. The devices have a polystyrene layer embedded with Au nanoparticles capped with conjugated 2-naphthalenethiol sandwiched between Al and MoO{sub 3}/Al electrodes, and they exhibit electrode-sensitive resistive switches. The devices in the pristine or high resistance state have high capacitance. The capacitance decreases after the devices switch to a low resistance state by a voltage scan. The change in the capacitance is attributed to the voltage-induced change on the electronic structure of the contact between the Al electrode and Au nanoparticles.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Energetics and diffusion of gold in bismuth telluride-based thermoelectric compounds

We investigate experimentally and theoretically the long-term chemical and morphological stability of Au contacts on Bi{sub 2}Te{sub 3}-based materials. Electron microscopy and energy dispersive spectroscopy experiments show that thermal annealing severely degrades the integrity of micron-thick Au films on n-type Bi{sub 2}Te{sub 3}, eventually leading to their complete dissolution. To explain this result, we have used density functional theory to calculate defect formation energies and diffusion barriers of Au within Bi{sub 2}Te{sub 3}. We identify an interstitial binding site consistent with previous reports of (rapid) anisotropic diffusion of Au in Bi{sub 2}Te{sub 3}. We find, however, that substitutional Au has lower formation energies. We suggest that these substitutional defects may be active in our experiments and account for the relatively long time scale of the contact degradation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Plasmon-enhanced polymer photovoltaic cells based on large aspect ratio gold nanorods and the related working mechanism

Two types of Au nanorods (NRs) possessing longitudinal/transverse axes of 55/11 (NR{sub 11}) and 90/18 nm (NR{sub 18}) are, respectively, incorporated into the hole extraction layer to improve optical-to-electrical conversion performances in polymer photovoltaic cells. Totally different improvement factors in short-circuit current and power conversion efficiency occur in the NR{sub 11}- and NR{sub 18}-doped cells. Optical simulations, electrical analysis, and morphology alteration accompanying with the incorporation of NRs were proceeded to investigate the reason, and analysis demonstrates that a slower damping of field around NRs{sub 18} (results in a field and absorption enhancement around the active layer) and one order higher scattering cross section in the NR{sub 18}-incorporated cell are key factors contributed to the improvement of cell performances.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Plasmonic gold nanoparticles modified titania nanotubes for antibacterial application

Close-packed TiO{sub 2} nanotube arrays are prepared on metallic Ti surface by electrochemical anodization. Subsequently, by magnetron sputtering, Au nanoparticles are coated onto the top sidewall and tube inwall. The Au@TiO{sub 2} systems can effectively kill Staphylococcus aureus and Escherichia coli in darkness due to the existence of Au nanoparticles. On the basis of classical optical theories, the antibacterial mechanism is proposed from the perspective of localized surface plasmon resonance. Respiratory electrons of bacterial membrane transfer to Au nanoparticles and then to TiO{sub 2}, which makes bacteria steadily lose electrons until death. This work provides insights for the better understanding and designing of noble metal nanoparticles-based plasmonic heterostructures for antibacterial application.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Gallium loading of gold seed for high yield of patterned GaAs nanowires

A method is presented for maximizing the yield and crystal phase purity of vertically aligned Au-assisted GaAs nanowires grown with an SiO{sub x} selective area epitaxy mask on GaAs (111)B substrates. The nanowires were grown by the vapor-liquid-solid (VLS) method in a gas source molecular beam epitaxy system. During annealing, Au VLS seeds will alloy with the underlying GaAs substrate and collect beneath the SiO{sub x} mask layer. This behavior is detrimental to obtaining vertically aligned, epitaxial nanowire growth. To circumvent this issue, Au droplets were pre-filled with Ga assuring vertical yields in excess of 99%.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Fabrication and characterization of large arrays of mesoscopic gold rings on large-aspect-ratio cantilevers

We have fabricated large arrays of mesoscopic metal rings on ultrasensitive cantilevers. The arrays are defined by electron beam lithography and contain up to 10{sup 5} rings. The rings have a circumference of 1 μm, and are made of ultrapure (6N) Au that is deposited onto a silicon-on-insulator wafer without an adhesion layer. Subsequent processing of the SOI wafer results in each array being supported at the end of a free-standing cantilever. To accommodate the large arrays while maintaining a low spring constant, the cantilevers are nearly 1 mm in both lateral dimensions and 100 nm thick. The extreme aspect ratio of the cantilevers, the large array size, and the absence of a sticking layer are intended to enable measurements of the rings' average persistent current in the presence of relatively small magnetic fields. We describe the motivation for these measurements, the fabrication of the devices, and the characterization of the cantilevers' mechanical properties. We also discuss the devices' expected performance in measurements of .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Effect of a hard sublayer on contact interaction and wear behavior of electrodeposited gold-based coatings

The mechanical properties and wear of electroplated Au–Ni coatings deposited on beryllium bronze substrates with Ni or Ni–B intermediate layers were investigated. It was revealed that the sublayer material has no significant effect on the hardness and the elastic modulus of the coatings. At the same time, the harder sublayer favors localization of plastic deformation and, thus, strain hardening of coatings in the course of tribological tests. The Ni–B sublayer was shown to provide significant wear reduction of Au–Ni coatings as compared with the Ni sublayer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗