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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 1,459 records · Page 81
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Iron Redox Chemistry and Its Environmental Impact: A Virtual Special Issue

Special Editorial Issue. Iron (Fe) is the most abundant redox-active element at the Earth’s surface. It occurs in diverse host rock lithologies, sediments, and soils as accessory oxide and oxyhydroxide minerals and nanoparticles that can dominate the reactive mineral/water interfacial area. Furthermore, designer Fe oxide nanoparticles produced to exploit the catalytic properties of specific mineral surfaces continue to undergo rapid development and deployment for a variety of purposes, including environmental remediation. The structure, charge, and chemical dynamics at these interfaces with aqueous solutions strongly impacts their interaction with other elements, organics, and contaminants. The influence of important environmental factors, especially oxygen concentration, natural organic matter, microbes, etc. remain poorly understood. Key interfacial processes can be driven by both biotic and abiotic mechanisms.

Iron redox, special issue, mechanisms, biogeochemi↗
DOE OSTI2014

A virtual squeeze on chemistry: Accelerated reaction simulations [Nanoreactor Simulations]

We describe how molecular simulations have the potential to give valuable insights into experimental results, but can be limited by the time- and length-scales they can simulate. Now, reactive chemistry can be driven through a novel simulation approach, which could have ramifications for many research areas, including astrobiology and the origins of life.

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

Virtual edge illumination and one dimensional beam tracking for absorption, refraction, and scattering retrieval

We propose two different approaches to retrieve x-ray absorption, refraction, and scattering signals using a one dimensional scan and a high resolution detector. The first method can be easily implemented in existing procedures developed for edge illumination to retrieve absorption and refraction signals, giving comparable image quality while reducing exposure time and delivered dose. The second method tracks the variations of the beam intensity profile on the detector through a multi-Gaussian interpolation, allowing the additional retrieval of the scattering signal.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Virtually pure near-infrared electroluminescence from exciplexes at polyfluorene/hexaazatrinaphthylene interfaces

Electronic processes at the heterojunction between chemically different organic semiconductors are of special significance for devices such as light-emitting diodes (LEDs) and photovoltaic diodes. Here, we report the formation of an exciplex state at the heterojunction of an electron-transporting material, a functionalized hexaazatrinaphthylene, and a hole-transporting material, poly(9,9-dioctylfluorene-alt-N-(4-butylphenyl)diphenylamine) (TFB). The energetics of the exciplex state leads to a spectral shift of ∼1 eV between the exciton and the exciplex peak energies (at 2.58 eV and 1.58 eV, respectively). LEDs incorporating such bulk heterojunctions display complete quenching of the exciton luminescence, and a nearly pure near-infrared electroluminescence arising from the exciplex (at ∼1.52 eV) with >98% of the emission at wavelengths above 700 nm at any operational voltage.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗