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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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

In-situ photo-reduction of silver particles and their SPR effect in enhancing the photocatalytic water splitting of Ag{sub 2}O/TiO{sub 2} photocatalysts under solar light irradiation: A case study

Highlights: • Visible light induced SPR bands confirmed the Plasmonic resonance behaviour of Ag. • Appreciable band gap reduction of TiO{sub 2} due to in-situ photoreduction of Ag{sub 2}O to Ag. • H{sub 2}-TPR emphasized the strong interaction between Ag and TiO{sub 2}. • Ag/TiO{sub 2} witnessed 76.6 folds improved H{sub 2} production rate than P25-TiO{sub 2}. - Abstract: Plasmonic Ag{sub 2}O/TiO{sub 2} photocatalysts were synthesized by impregnating silver oxide nano clusters over the surface of TiO{sub 2}. It is found that the in-situ photo reduced silver particles showed visible light absorption in a wide range of wavelength 400–800 nm due to localized surface plasmon resonance. The in-situ formed metallic silver transfer electrons to the TiO{sub 2} through SPR excitation and thus improving photocatalytic hydrogen production. The SPR behavior of silver particles on TiO{sub 2} was characterized by UV–vis diffuse reflectance spectroscopy and the X-ray photoelectron spectroscopy confirms the metallic silver. X-ray diffraction and transmission electron microscopy confirm the crystallinity of the prepared samples. H{sub 2}-temperature-programmed reduction, photoluminescence, electron paramagnetic resonance, infrared spectroscopy, BET-surface area and Raman spectra were used to understand the morphological and chemical nature of the catalysts. Among the samples, 1 wt% Ag/TiO{sub 2} showed the best activity ca. ∼23 mmol g{sup −1} in presence of glycerol scavenger.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Mid-infrared chiral metasurface absorbers with split-ellipse structures

Natural chiral materials usually have very weak circular dichroism (CD) responses. Here, in this study, we design and demonstrate one type of mid-infrared chiral metasurface absorber with strong chiroptical effects, which can achieve high CD in absorption above 0.57 over the wavelength range of 5 to 5.9 μm. The maximum absorption of the chiral metasurface absorber under circularly polarized light can reach 0.90 and the maximum CD in absorption is 0.63. Meanwhile, the chiral resonance wavelength and the CD value can be tuned by varying the geometric parameters of the metasurface. A thermal analysis of the metasurface absorber further shows the strong connection between CD in absorption and temperature difference. The demonstrated chiral metasurface absorbers can be used in many promising applications such as molecular sensing, thermophotovoltaics and chiral spectroscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Role of spin-orbit coupling on crystal-field splitting and phase-stability of rare-earth based layered intermetallic

Layered and incommensurate heterostructures have attracted much attention for the occurrence of superconductivity and charge density waves with the possibility of intercalating foreign atoms. However, lanthanide-based heterostructures where (Eu x Sm 1-x )S and TaS 2 are alternatively stacked have been scarcely investigated. In this work, we performed phase stability, bonding behavior and electronic-structure analysis of (Eu x Sm 1-x )TaS 3 using first-principles density-functional theory methods. Our phase stability analysis suggests 50 at.% solubility of Eu in (Eu x Sm 1-x )TaS 3 compared to Eu solubility in all proportions in cubic SmS. The instability of Eu beyond 50 at.% in (Eu x Sm 1-x )TaS 3 was attributed to higher density of Eu-4f states at the Fermi-level. Based on band position calculated from spin-orbit coupling effect, we constructed a qualitative schematic of possible crystal-field analysis. The local change in bond-length and bond-angle around Eu-S in (Eu x Sm 1-x )TaS 3 correlate well with our crystal-field analysis. We believe that quantum mechanical insights provided in this work will be useful to understand other complex heterostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Cation-Dependent Multielectron Kinetics of Metal Oxide Splitting

We report direct electrolytic extraction of metals from metal oxides is a promising process for the sustainable production of metals. In this work, we elucidate the inherent thermodynamic driving forces behind the reduction of metal oxides to metals (M-OER). It is shown that the thermodynamics of M-OER can be systematically tuned via the interactions of oxygen with the participating metal cations as a function of metal–oxygen covalency, oxygen–oxygen covalency, and metal–oxygen ionicity. We screen both group 1 elements and metals that are able to exist in the +2 oxidation state for M-OER thermodynamics. Li, Fe, and Co are identified as having low thermodynamic overpotentials for electrolytic extraction from their metal oxides due to interactions between oxygen and these metals being neither too strong (covalent) nor too weak (ionic). We further show that the bulk formation energies are predictive of M-OER reaction energetics on surfaces by developing unified design principles for tuning the thermodynamics of these reduction reactions both in bulk oxides and on surfaces.

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

Probing Electronic and Structural Transformations during Thermal Reduction of the Promising Water Splitting Perovskite BaCe 0.25 Mn 0.75 O 3

Here, in this report, we investigate the thermal reduction of the octahedral perovskite BaCe 0.25 Mn 0.75 O 3 (BCM) using in situ electron energy loss spectroscopy (EELS) in an aberration-corrected transmission electron microscope (TEM). The 12R-polytype of BCM is known to demonstrate high solar thermochemical hydrogen production capacity. In situ EELS measurements show that Mn is the active redox cation in BCM, undergoing thermal reduction from Mn 4+ to Mn 3+ during heating to 700 °C inside the TEM under a high vacuum. The progressive reduction of Mn 4+ during oxygen vacancy (O v ) formation was monitored as a function of temperature. Additionally, atomic-resolution scanning transmission electron microscopy identified two different types of twin boundaries present in the oxidized and reduced form of 12R-BCM, respectively. These two types of twin boundaries were shown, via computational modeling, to modulate the site-specific O v formation energies in 12R-BCM. It is concluded that these types of atomic defects provide sites more energetically favorable for O v formation during thermal reduction.

36 MATERIALS SCIENCE↗