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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Spatial Heterogeneities and Onset of Passivation Breakdown at Lithium Anode Interfaces

Effective passivation of lithium metal surfaces, and prevention of battery-shorting lithium dendrite growth, are critical for implementing lithium metal anodes for batteries with increased power densities. Nanoscale surface heterogeneities can be “hot spots” where anode passivation breaks down. Motivated by the observation of lithium dendrites in pores and grain boundaries in all-solid batteries, we examine lithium metal surfaces covered with Li 2 O and/or LiF thin films with grain boundaries in them. Electronic structure calculations show that at >0.25 V computed equilibrium overpotential Li 2 O grain boundaries with sufficiently large pores can accommodate Li0 atoms which aid e– leakage and passivation breakdown. Strain often accompanies Li insertion; applying an ~1.7% strain already lowers the computed overpotential to 0.1 V. Lithium metal nanostructures as thin as 12 Å are thermodynamically favored inside cracks in Li 2 O films, becoming “incipient lithium filaments”. LiF films are more resistant to lithium metal growth. Finally, the models used herein should in turn inform passivating strategies in all-solid-state batteries.

25 ENERGY STORAGE↗
DOE OSTI2014

Spatial Arrangment of Organic Compounds on a Model Mineral Surface: Implications for Soil Organic Matter Stabilization

The complexity of the mineral organic carbon interface may influence the extent of stabilization of organic carbon compounds in soils, which is important for global climate futures. The nanoscale structure of a model interface was examined here by depositing films of organic carbon compounds of contrasting chemical character, hydrophilic glucose and amphiphilic stearic acid, onto a soil mineral analogue (Al2O3). Neutron reflectometry, a technique which provides depth-sensitive insight into the organization of the thin films, indicates that glucose molecules reside in a layer between Al2O3 and stearic acid, a result that was verified by water contact angle measurements. Molecular dynamics simulations reveal the thermodynamic driving force behind glucose partitioning on the mineral interface: The entropic penalty of confining the less mobile glucose on the mineral surface is lower than for stearic acid. The fundamental information obtained here helps rationalize how complex arrangements of organic carbon on soil mineral surfaces may arise

Petridis, Loukas↗
DOE OSTI2018

Spatially Nonuniform Reaction Rates during Selective Oxidation on Gold

Here, the nonuniform reactivity of adsorbed oxygen during the selective oxidation of methanol on Au(110)-(1×2) was demonstrated using in situ scanning tunneling microscopy (STM), establishing the importance of both atomic and mesoscale structure in determining reaction kinetics. At coverages above 0.06 ML, oxygen consumption occurs preferentially along [$1\overline{10}$] direction, creating local regions completely devoid of oxygen between oxygen islands. The directionally specific reactivity is attributed to a combination of the weaker binding of oxygen atoms at chain termini and the release of surface strain induced by O bonding to Au. The generality of this phenomenon is illustrated by analogous, but kinetically contrasting behavior, for reaction of 2-propanol with oxygen covered Au(110)-(1×2). Even at low O coverages, there are structurally related changes in the reactivity for the reaction with methanol. With decreasing O coverage, a slow reaction period is followed by a fast reaction period, the latter starting when oxygen coverage decreases to ~0.06 monolayer, independent of the initial coverage. This increase in reactivity is attributed to a sudden destabilization of the island structure. These findings demonstrate that both local and mesocale structures can affect reactivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Spatially resolved ultrafast magnetic dynamics initiated at a complex oxide heterointerface

Static strain in complex oxide heterostructures 1,2 has been extensively used to engineer electronic and magnetic properties at equilibrium 3 . In the same spirit, deformations of the crystal lattice with light may be used to achieve functional control across heterointerfaces dynamically 4 . Here, by exciting large-amplitude infrared-active vibrations in a LaAlO 3 substrate we induce magnetic order melting in a NdNiO 3 film across a heterointerface. Femtosecond resonant soft X-ray diffraction is used to determine the spatiotemporal evolution of the magnetic disordering. We observe a magnetic melt front that propagates from the substrate interface into the film, at a speed that suggests electronically driven motion. Lastly, light control and ultrafast phase front propagation at heterointerfaces may lead to new opportunities in optomagnetism, for example by driving domain wall motion to transport information across suitably designed devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗