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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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42 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Silver-Mediated Squaric Acid Reduction as a Facile, Ambient-temperature and Seedless Route to Tunable Bimetallic Au/Ag Nanostars and Nanosnowflakes

In this work, bimetallic Au/Ag nanoparticles were successfully synthesized using a facile and reproducible method involving rapid, room temperature mixing of aqueous solutions of HAuCl 4 and AgNO 3 in the presence of squaric acid as both the reducing agent and surface capping ligand. Variation in the initial Au:Ag molar ratio yielded a tunable anisotropic shape and affiliated surface plasmon resonance. The nanoparticles displayed excellent stability in water for at least 10 weeks and showed robust catalytic activity in the borohydride-assisted reduction of the model substrate 4-nitrophenol.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Quantitative Study of Plasmonic Gold Nanostar Geometry Toward Optimal SERS Detection

Abstract Complex shapes of gold nanostars (GNS) have been the major obstacle to the comprehensive understanding of the rich plasmonic phenomena of GNS. We conducted extensive, systematic numerical study of far-field and near-field spectral responses of GNS for varying geometrical parameters (e.g., number of spikes, spike tip angle, and spike-to-core ratio) to elucidate the relationship between the optical property and the geometry of GNS. We found that symmetric configurations of GNS spikes generated both dipole and quadrupole localized surface plasmon (LSP) modes, their hybridization resulted in the final near-field intensity at the spike tips, and there existed a specific GNS geometry that optimized the hybridization and thus the E-field intensity for any given wavelength. From these results, we further identified the shapes of GNS that generated the strongest Surface Enhanced Raman Scattering (SERS) enhancement factors in the visible and NIR spectral range. Hence, our results provide guiding principles in determining the optimal geometry of GNS for SERS applications with any choice of excitation wavelength.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Demonstration of gold nanorod systems for enhanced total efficiency: Experimental and numerical analysis

This study investigates the photothermal performance of gold nanorods engineered to exhibit longitudinal plasmon resonances at 695 nm, 780 nm, and 970 nm. The work combines synthesis, structural characterization, extinction measurements, numerical modeling, and controlled temperature experiments to quantify how nanorod geometry, resonance tuning, concentration, and chamber shape jointly influence heat generation. Transmission electron microscopy confirms that increasing nanorod aspect ratio systematically shifts the longitudinal plasmon peak toward the near-infrared region. Extinction measurements show strong agreement with theoretical predictions, validating the numerical model across two independent datasets. Three chamber geometries were tested under laser excitation at 640 nm, 808 nm, and 980 nm: an ascending stepped base, a flat base, and a descending stepped base. Without nanorods, the ascending geometry produced the highest efficiency due to enhanced natural convection. After introducing gold nanorods, all geometries exhibited substantial thermal enhancement, with total efficiencies exceeding 20%. The strongest improvement was obtained for nanorods resonant at 780 nm with a mass concentration of 4.6 mg/mL implemented on the descending stepped-base geometry. This performance resulted from the combined effect of spectral overlapping with the 808 nm laser, the highest nanorod concentration, and localized heat accumulation that intensified buoyancy-driven flow. The findings demonstrate that total efficiency is governed by a synergistic interplay between optical resonance, nanoparticle concentration, and macroscopic chamber design, revealing the system-level coupling between nanoscale plasmonic absorption and macroscale heat-transfer phenomena. The results provide a validated framework for tuning nanoscale plasmonic absorbers and optimizing thermal systems for applications requiring efficient light-to-heat conversion.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Investigation on the AgPt and AgPd hybrid alloy nanoparticles (HANPs) for the hybrid MoS 2 /ZnO/HANP UV photodetector application

We report hybrid photodetectors made of two or more nanomaterial components can offer the high potential for advanced photodetection applications with enhanced light absorption, improved efficiency and structural tunability. A hybrid UV photodetector (PD) configuration incorporating the plasmonic hybrid alloy nanoparticles (HANP), ZnO quantum dots (QDs) and MoS 2 nanoflakes, namely MoS2/ZnO/HANP PD, is demonstrated. The optimized MoS 2 /ZnO/HANP PD exhibits a high photocurrent of 5.66 mA at 0.34 mW/mm 2 under 385 nm illumination with two orders of improvement from the bare ZnO, which is one of the highest photocurrents by the ZnO-based PDs. It also demonstrates high figure-of-merits with the responsivity of 14,523 mA/W, detectivity of 8.13 x 10 11 jones, and external quantum efficiency (EQE) of 4,680 %, outperforming most of the ZnO-based hybrid architectures. The enhanced photoresponse is primarily attributed to the significantly enhanced hot electron generation by the AgPd HANPs and photocarrier collection through the ZnO QD layer. MoS 2 nanoflakes also provide additional photon absorption sites and boost the photo-carrier transfer process. HANPs are grown by adapting a dual-step solid-state dewetting process (SSD) approach and the superiority of AgPd HANPs is confirmed by systematic investigation, FDTD simulation and comparison of AgPt and AgPd HANPs.

MoS2↗
DOE OSTI2026

Plasmonic Hot-Carrier Generation and Catalysis in Ti 3 C 2 O 2 from Real-Time TDDFT Simulations

Photoinduced hot electrons are central to plasmon-driven catalysis. Atomically thin Ti 3 C 2 O 2 , with high carrier density and broad optical absorption, offers a promising platform for plasmon-driven reactions. However, comprehensive investigations of its plasmon resonance, hot-carrier generation, and plasmonic catalytic performance remain limited. In this work, real-time time-dependent density functional theory (rt-TDDFT) was employed to study Ti 3 C 2 O 2 ’s plasmon excitation and hot-carrier generation from nonradiative plasmon damping. The temporal evolution of the dipole moment reveals plasmon resonance in Ti 3 C 2 O 2 , followed by strong plasmon damping that redistributes the stored energy to generate hot carriers. Ti 3 C 2 O 2 with low oxygen vacancy concentration (O v -Ti 3 C 2 O 2 ) exhibits plasmonic behavior resembling the pristine surface, and the plasmon-generated hot electrons can markedly reduce the dissociation barrier of CO 2 at the oxygen vacancy. These findings provide fundamental insights into the plasmonic properties of Ti 3 C 2 O 2 and how they drive its catalytic performance in surface reactions, which is valuable for advancing plasmon-driven catalysis.

CO2 reduction↗
DOE OSTI2021

Localized Orbital Excitation Drives Bond Formation in Plasmonic Catalysis

Localized surface plasmons generated on metallic nanostructures can be used to accelerate molecular transformations; however, the efficiency is limited by the challenge to control the energy/charge transfer at the interfaces. Here, we combine density functional theory (DFT) calculations and experiments to reveal the mechanism of nitrophenol reduction on Au nanoparticles under visible-light irradiation and propose a strategy to further enhance the reaction rates. DFT calculations show a reduced activation barrier under electronic excitation on Au(111), thus explaining the measured higher rates under visible-light irradiation. Furthermore, we propose a heterostructure with Au nanoparticles covered by a thin film of hexagonal boron nitride; the latter is used to decouple the molecular orbitals from the metal to enable charge localization in the molecule. DFT calculations show that, by this electronic decoupling, the activation barrier can be lowered by a factor of five. Furthermore, this work thus provides a valuable strategy for optimizing catalytic efficiency.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗