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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 1,531 records · Page 85
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

PEDOT-PSS coated ZnO/C hierarchical porous nanorods as ultralong-life anode material for lithium ion batteries

ZnO/C hierarchical porous nanorods were synthesized through one-pot wet-chemical reaction followed by thermal calcination. It was found that ZnO/C porous nanorods are composed of numerous nanograins, exhibiting a hierarchical micro/nanostructure. In-situ synchrotron high energy X-ray diffraction study revealed that ZnO/C hierarchical porous nanorods involve a two-step reversible lithiation mechanism during charge/discharge; and part of ZnO and Zn remains at the end of the first discharge and charge process, respectively, leading to a low coulombic efficiency in the initial few cycles. The electrochemical test demonstrated that the reversible capacity and the rate performance of ZnO/C hierarchical porous nanorods anode have been greatly improved by PEDOT-PSS coating, which could maintain a reversible capacity of 623.94 mA h g(-1) after 1500 cycles at 1 C. Its excellent high rate capability and long cycle stability were attributed to the high electronic conductivity of PEDOT-PSS coating layer and the hierarchical structures of ZnO/C porous nanorods. (C) 2015 Elsevier Ltd. All rights reserved.

anode↗
DOE OSTI2017

Heavy Ion Results from ATLAS

These proceedings provide an overview of the new results obtained with the ATLAS detector at the LHC, which were presented in the Quark Matter 2017 conference. These results were covered by twelve parallel talks, one flash talk and eleven posters. These proceedings group these results into five areas: initial state, jet quenching, quarkonium production, longitudinal flow dynamics, and collectivity in small systems.

Jia, J↗
DOE OSTI2019

One of the Substrate Waters for O 2 Formation in Photosystem II Is Provided by the Water-Splitting Mn 4 CaO 5 Cluster’s Ca 2+ Ion

During the catalytic step immediately prior to O–O bond formation in Photosystem II, a water molecule deprotonates and moves next to the water-splitting Mn 4 CaO 5 cluster’s O5 oxo bridge. Considerable evidence identifies O5 as one of the two substrate waters that ultimately form O 2 . The relocated oxygen, known as O6 or Ox, may be the second. It is currently debated whether O6 or Ox originates as the Mn-bound water denoted W2 or as the Ca 2+ -bound water denoted W3. To distinguish between these two possibilities, we analyzed the D–O–D bending mode of the water molecule that deprotonates/relocates to become O6/Ox. Here, we show that this D–O–D bending mode is not altered by the D1-S169A mutation. Previously, we showed that this D–O–D bending mode is altered substantially when Sr 2+ is substituted for Ca 2+ . Because Sr 2+ /Ca 2+ substitution alters this D–O–D bending mode but the D1-S169A mutation does not, we conclude that the water-derived oxygen that relocates and becomes O6/Ox derives from the Ca 2+ -bound W3. This conclusion provides an important constraint for proposed mechanisms of O–O bond formation in Photosystem II.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Role of a Multivalent Ion–Solvent Interaction on Restricted Mg 2+ Diffusion in Dimethoxyethane Electrolytes

The diffusion behavior of Mg 2+ in electrolytes is not as readily accessible as that from Li + or Na + utilizing PFG NMR, due to the low sensitivity, poor resolution, and rapid relaxation encountered when attempting 25 Mg NMR. In MgTFSI 2 /DME solutions, “bound” DME (coordinating to Mg 2+ ) and “free” DME (bulk) are distinguishable from 1 H NMR. With the exchange rates between them obtained from 2D 1 H EXSY NMR, we can extract the self-diffusivities of free DME and bound DME (which are equal to that of Mg 2+ ) before the exchange occurs using PFG diffusion NMR measurements coupled with analytical formulas describing diffusion under two-site exchange. Further, the high activation enthalpy for exhange (65–70 kJ/mol) can be explained by the structural change of bound DME as evidenced by its reduced C–H bond length. Comparison of the diffusion behaviors of Mg 2+ , TFSI – , DME, and Li + reveals a relative restriction to Mg 2+ diffusion that is caused by the long-range interaction between Mg 2+ and solvent molecules, especially those with suppressed motions at high concentrations and low temperatures.

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

Effect of cooler electrons on a compressive ion acoustic solitary wave in a warm ion plasma — Forbidden regions, double layers, and supersolitons

It is observed that the presence of a minority component of cooler electrons in a three component plasma plays a deterministic role in the evolution of solitary waves, double layers, or the newly discovered structures called supersolitons. The inclusion of the cooler component of electrons in a single electron plasma produces sharp increase in nonlinearity in spite of a decrease in the overall energy of the system. The effect maximizes at certain critical value of the number density of the cooler component (typically 15%–20%) giving rise to a hump in the amplitude variation profile. For larger amplitudes, the hump leads to a forbidden region in the ambient cooler electron concentration which dissociates the overall existence domain of solitary wave solutions in two distinct parameter regime. It is observed that an inclusion of the cooler component of electrons as low as < 1% affects the plasma system significantly resulting in compressive double layers. The solution is further affected by the cold to hot electron temperature ratio. In an adequately hotter bulk plasma (i.e., moderately low cold to hot electron temperature ratio), the parameter domain of compressive double layers is bounded by a sharp discontinuity in the corresponding amplitude variation profile which may lead to supersolitons.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Correlated rattling-ion origins of dielectric properties in reentrant dipole glasses BaTiO{sub 3}-BiScO{sub 3}

The local structure of the pseudo-cubic solid solution 0.6BaTiO{sub 3}-0.4BiScO{sub 3}, which exhibits reentrant dipole-glass behavior, has been determined using the Reverse Monte Carlo method to simultaneously fit (1) neutron and X-ray total scattering data (including the corresponding real-space pair-distribution functions), (2) Bi and Sc extended X-ray absorption fine structure, and (3) patterns of diffuse scattering in electron diffraction. These structural refinements revealed the multi-site probability density distributions for both Bi (14-sites) and Ti (8 sites), whereas Ba and Sc featured normal unimodal distributions. Bi atoms are displaced along both the 〈111〉 and 〈100〉 directions, while Ti atoms are shifted along 〈111〉. Correlated dynamic hopping of Bi and Ti over their corresponding split sites combined with chemical disorder is proposed as the origin of the strong frequency dispersion observed in dielectric measurements. The existence of split sites also explains the reentrant dipole-glass behavior reported for this system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗