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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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Building up libraries and production line for single atom catalysts with precursor-atomization strat
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Rapid atom-efficient polyolefin plastics hydrogenolysis mediated by a well-defined single-site electrophilic/cationic organo-zirconium catalyst
Polyolefins comprise a major fraction of single-use plastics, yet their catalytic deconstruction/recycling has proven challenging due to their inert saturated hydrocarbon connectivities. Here a very electrophilic, formally cationic earth-abundant single-site organozirconium catalyst chemisorbed on a highly Brønsted acidic sulfated alumina support and characterized by a broad array of experimental and theoretical techniques, is shown to mediate the rapid hydrogenolytic cleavage of molecular and macromolecular saturated hydrocarbons under mild conditions, with catalytic onset as low as 90 °C/0.5 atm H 2 with 0.02 mol% catalyst loading. For polyethylene, quantitative hydrogenolysis to light hydrocarbons proceeds within 48 min with an activity of > 4000 mol(CH 2 units)·mol(Zr) –1 ·h –1 at 200 °C/2 atm H 2 pressure. Under similar solventless conditions, polyethylene-co–1-octene, isotactic polypropylene, and a post-consumer food container cap are rapidly hydrogenolyzed to low molecular mass hydrocarbons. Regarding mechanism, theory and experiment identify a turnover-limiting C-C scission pathway involving ß-alkyl transfer rather than the more common σ-bond metathesis.
Atomic-scale intercalation and defect engineering for enhanced magnetism and optoelectronic properties in atomically thin GeS
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Probing charge density in materials with atomic resolution in real space
The charge distribution in materials at the nanoscale can often explain the origin of macroscopic properties such as localized conductivity or the plasmonic response and illuminate more fundamental changes in the microscopic structure such as changes in chemical bonding characteristics. Previously, direct visualization of the charge density with high spatial resolution was often a missing link in the formation of structure–property relationships, especially in heterogeneous materials systems. Furthermore, recent advancements in microscopy technology have enabled researchers to visualize the charge distribution in materials down to subatomic length scales. In this Technical Review, we discuss the developments in high-resolution real-space charge distribution imaging using diffraction techniques and electron microscopy, with a focus on the recent advancement of four-dimensional scanning transmission electron microscopy, electron holography, and applications to materials interfaces.
Atomic Diffusion in Solid Molecular Hydrogen
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Atomic Scale Verification of Oxide-Ion Vacancy Distribution near a Single Grain Boundary in YSZ
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Synthesis, characterization, and testing of supported Au catalysts prepared from atomically-tailored Au 38 (SC 12 H 25 ) 24 clusters
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The role of composition in the atomic structure, oxygen loss, and capacity of layered Li–Mn–Ni oxide cathodes
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Stabilizing chromophore binding on TiO 2 for long-term stability of dye-sensitized solar cells using multicomponent atomic layer deposition
Dye sensitized solar cells (DSSCs) are coated with subnanometer oxide coatings to prevent device degradation in ambient humidity and high temperatures.
Enhanced stability of cobalt catalysts by atomic layer deposition for aqueous-phase reactions
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Confinement boosts CO oxidation on an Ni atom embedded inside boron nitride nanotubes
Because of the confinement effect, Ni embedded on the interior surface of BNNT exhibits a much higher catalytic activity for CO oxidation by comparing with that embedded in h-BN or on the outside surface of BNNT.
Analysis of transition state stabilization by non-covalent interactions in organocatalysis: application of atomic and functional-group partitioned symmetry-adapted perturbation theory to the addition of organoboron reagents to fluoroketones
Enantioselectivity is examined in the addition of allyl groups to fluorinated ketones.
Non-phase-separated 2D B–C–N alloys via molecule-like carbon doping in 2D BN: atomic structures and optoelectronic properties
A new way to overcome the phase-separation problem to fabricate 2D B–C–N via molecule-like carbon doping in 2D BN.
Isolable iodosylarene and iodoxyarene adducts of Co and their O-atom transfer and C–H activation reactivity
We report an unusual series of discrete iodosyl- and iodoxyarene adducts of Co( ii ) including detailed studies of their O-transfer reactivity and mechanism.
CoNiCuCrS alloy nanoparticles: synthesis and atomically resolved T/STEM studies
Multimetallic alloy nanoparticles as a model for bulk high entropy alloy studies.
Atomic doping to enhance the p-type behavior of BiFeO 3 photoelectrodes for solar H 2 O 2 production
Na-doped BiFeO 3 demonstrates an enhanced p-type behavior compared to p-type BiFeO 3 prepared without extrinsic dopants, and Na-doped BiFeO 3 can serve as a photocathode for solar O 2 reduction to H 2 O 2 when coupled with Ag nanoparticle catalysts.