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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Electron mass enhancement and magnetic phase separation near the Mott transition in double-layer ruthenates

Here, we present a detailed investigation of the specific heat of Ca 3 (Ru 1-x M x ) 2 O 7 (M = Ti, Fe, Mn) single crystals. Depending on the dopant and doping level, three distinct regions are present: a quasitwo-dimensional metallic state with antiferromagnetic (AFM) order formed by ferromagnetic bilayers (AFM-b), a Mott insulating state with G-type AFM order (G-AFM), and a localized state with a mixed AFM-b and G-AFM phase. Our specific heat data provide deep insights into the Mott transitions induced by Ti and Mn doping. We observed not only an anomalous large mass enhancement, but also an additional term in the specific heat, i.e., C ∝ T 2 , in the localized region. The C ∝ T 2 term is most likely due to long-wavelength excitations with both FM and AFM components. A decrease in the Debye temperature is observed in the G-type AFM region, indicating lattice softening associated with the Mott transition.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Enhancement of high-temperature selectivity on Cu-SSZ-13 towards NH3-SCR reaction from highly dispersed ZrO2

ZrO2 is introduced as a secondary phase to Cu-SSZ-13 via different approaches and tested for the NH3-SCR reaction. It is shown that the vicinity between the two catalyst phases, i.e., ZrO2 dispersion, influences interaction between copper oxide (CuOx) on Cu-SSZ-13 and ZrO2. A strong interaction is achieved when ZrO2 is formed with high dispersion on Cu-SSZ-13, and leads to the chemical interaction of CuOx and ZrO2 in hydrothermally aged catalysts. The result is formation of a Cu-stabilized t-ZrO2 phase which greatly hinders the non-selective NH3 oxidation due to CuOx. With reduced ZrO2 dispersion and less Cu-SSZ-13 and ZrO2 interaction, the beneficial role of ZrO2 is diminished. This strategy of CuOx passivation is able to significantly enhance the high-temperature selectivity of the state-of-the-art NH3-SCR catalytic system while mitigating the adverse impact of CuOx clusters on the zeolite, potentially enabling higher Cu-content SCR catalysts and improved low-temperature activity.

NH3-SCR, ZrO2, selective catalytic reduction, afte↗
DOE OSTI2021

Oxygen Vacancies Enriched Bi Based Catalysts for Enhancing Electrocatalytic CO2 Reduction to Formate

The practical application of CO2 conversion through electrochemical reduction is still hindered by the lack of high performance and cost-effective catalysts. It is thus imperative to explore feasible strategies for scalable fabrication of catalysts for CO2 reduction to targeting products with high efficiency. Herein, for the first time, a hybrid of BiOx encapsulated in carbon thin layer is developed as high active electrocatalyst for CO2 conversion, which is synthesized by pyrolysis using Bi MOF as precursor and sacrificial template. The carbon layer overcoating BiOx catalyst exhibits superior performance for CO2 reduction to formate, achieving a maximum Faradaic efficiency of 89.3 % and a maximum current density of 37.8 mA cm-2. It is found that the as-prepared BiOx catalyst is enriched with oxygen vacancies stabilized by the encapsulating carbon layer. Both the carbon layer and oxygen vacancies improve the charge transfer of the catalyst, in favor of the high formate current density. The defects of oxygen vacancies play a vital role in CO2 adsorption and activation and thereby further enhancing the electrocatalytic ability for formate production.

oxygen vacancy, bismuth, carbon coating, CO2 elect↗
DOE OSTI2015

Enhanced Performance of Li|LiFePO4 Cells Using CsPF6 as an Electrolyte Additive

The practical application of lithium (Li) metal anode in rechargeable Li batteries is hindered by both the growth of Li dendrites and the low Coulombic efficiency (CE) during repeated charge/discharge cycles. Recently, we have discovered that CsPF6 as an electrolyte additive can significantly suppress Li dendrite growth and lead to highly compacted and well aligned Li nanorod structure during Li deposition on copper substrates. In this paper, the effect of CsPF6 additive on the performance of rechargeable Li metal batteries with lithium iron phosphate (LFP) cathode was further studied. Li|LFP coin cells with CsPF6 additive in electrolytes show well protected Li anode surface, decreased resistance, enhanced rate capability and extended cycling stability. In Li|LFP cells, the electrolyte with CsPF6 additive shows excellent long-term cycling stability (at least 500 cycles) at a charge current density of 0.5 mA cm-2 without internal short circuit. At high charge current densities, the effect of CsPF6 additive becomes less significant. Future work needs to be done to protect Li metal anode, especially at high charge current densities and for long cycle life.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2016

Enhanced photocatalytic and photoelectrochemical activities of reduced TiO 2-x /BiOCl heterojunctions

A key issue to design highly efficient photoelectrodes for hydrogen production is how to prohibit the rapid carrier recombination. In order to use the visible light and reduce the recombination of electrons and holes, reduced TiO 2-x /BiOCl heterojunctions are successfully synthesized and the photoelectrodes are assembled in this work. The effects of various Bi/Ti molar ratios on the structural, morphological, optical, photoelectrochemical and photocatalytic activities of the resultant samples are investigated systematically. The TiO 2-x nanoparticles contain Ti 3+ , Ti 2+ , and oxygen vacancies (Ov), while the BiOCl nanosheets exposed {001} facet. Ultraviolet–visible diffuse reflectance spectroscopy (UV–vis DRS) results indicate that the existence of Ti 3+ , Ti 2+ and Ov expand the light-response range. Linear scan voltammetry and electrochemical impedance spectroscopy results indicate that more efficient electron transportation is presented in the heterojunctions with the appropriate Bi/Ti molar ratio. Consequently, the reduced TiO 2-x /BiOCl heterojunction with the most appropriate Bi/Ti molar ratio exhibits a high photocurrent density of 0.755 mA cm -2 with photoconversion efficiency up to 0.634%, 10.5 and 22.6 times larger than that of pure TiO 2 and BiOCl. Furthermore, this heterojunction exhibit 48.38 and 12.54 times enhancement for the visible-light decomposition of rhodamine B compared with pure TiO 2 and BiOCl.

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

Long-lived K isomer and enhanced γ vibration in the neutron-rich nucleus 172 Dy: Collectivity beyond double midshell

The level structure of 172Dy has been investigated for the first time by means of decay spectroscopy following in-flight fission of a 238U beam. A long-lived isomeric state with T1/2 = 0.71(5) s and Kπ = 8- has been identified at 1278 keV, which decays to the ground-state and γ -vibrational bands through hindered electromagnetic transitions, as well as to the daughter nucleus 172Ho via allowed β decays. The robust nature of the Kπ = 8- isomer and the ground-state rotational band reveals an axially-symmetric structure for this nucleus. Meanwhile, the γ -vibrational levels have been identified at unusually low excitation energy compared to the neighboring well-deformed nuclei, indicating the significance of the microscopic effect on the non-axial collectivity in this doubly mid-shell region. The underlying mechanism of enhanced γ vibration is discussed in comparison with the deformed Quasiparticle Random-Phase Approximation based on a Skyrme energy-density functional.

172Dy↗
DOE OSTI2019

Combined Theoretical and Experimental Investigations of Atomic Doping To Enhance Photon Absorption and Carrier Transport of LaFeO 3 Photocathodes

Perovskite-type lanthanum iron oxide, LaFeO 3 , is a p-type semiconductor that can achieve overall water splitting using visible light while maintaining photostability. These features make LaFeO 3 a promising photocathode candidate for various photoelectrochemical cells. Currently, the photoelectrochemical performance of a LaFeO 3 photocathode is mainly limited by considerable bulk electron-hole recombination. This study reports a combined theoretical and experimental investigation on atomic doping of LaFeO 3 , in particular, substitutional doping of La 3+ with K + , to increase its charge transport properties and decrease electron-hole recombination. The computational results show that K doping enhances not only the charge transport properties but also photon absorption below the bandgap energy of the pristine LaFeO 3 . The effect of K doping was systematically investigated by comparing the electronic and atomic structures, majority carrier density, hole-polaron formation, and optical properties of pristine and K-doped LaFeO 3 . The computational results were then verified by experimentally characterizing the crystal structures, compositions, optical properties, and photoelectrochemical properties of LaFeO 3 and K-doped LaFeO 3 electrodes. For this purpose, pristine LaFeO 3 and K-doped LaFeO 3 were prepared as high-surface-area, high-purity photoelectrodes having the same morphology to accurately and unambiguously evaluate the effect of K doping. Here, the combined computational and experimental investigations presented in this study provide useful insights into the effect of composition tuning of LaFeO 3 and other p-type oxides with a perovskite structure.

14 SOLAR ENERGY↗