Tuning Lanthanide Binding with Phenanthroline-Based Diamides via Electron-Donating and Electron-Withdrawing Groups
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Pozdeev, Anton S. [Department of Chemical and Biom↗
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Results for “electrons”
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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Electron Transfer Kinetics between an Electron-Accepting Ionic Liquid and Coumarin Dyes
Not provided.
Chemistry↗
Vibrational Dephasing along the Reaction Coordinate of an Electron Transfer Reaction
Not Available
Yoneda, Yusuke↗
Reducing the Quantum Many-Electron Problem to Two Electrons with Machine Learning
Not provided.
Chemistry↗
Structural and Electronic Transitions in Liquid FeO Under High Pressure
Abstract FeO represents an important end‐member for planetary interiors mineralogy. However, its properties in the liquid state under high pressure are poorly constrained. Here, in situ high‐pressure and high‐temperature X‐ray diffraction experiments, ab initio simulations, and thermodynamic calculations are combined to study the local structure and density evolution of liquid FeO under extreme conditions. Our results highlight a strong shortening of the Fe‐Fe distance, particularly pronounced between ambient pressure and ∼40 GPa, possibly related with the insulator to metal transition occurring in solid FeO over a similar pressure range. Liquid density is smoothly evolving between 60 and 150 GPa from values calculated for magnetic liquid to those calculated for non‐magnetic liquid, compatibly with a continuous spin crossover in liquid FeO. The present findings support the potential decorrelation between insulator/metal transition and the high‐spin to low‐spin continuous transition, and relate the changes in the microscopic structure with macroscopic properties, such as the closure of the Fe‐FeO miscibility gap. Finally, these results are used to construct a parameterized thermal equation of state for liquid FeO providing densities up to pressure and temperature conditions expected at the Earth's core‐mantle boundary.
Morard, Guillaume↗
Exceptionally high electronic mobility in defect-rich Eu[subscript 2]ZnSb[subscript 2;#8722;x]Bi[subscript x] alloys
Abstract not provided
Chanakian, Sevan↗
Optimizing electron density of nickel sulfide electrocatalysts through sulfur vacancy engineering for alkaline hydrogen evolution
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99 GENERAL AND MISCELLANEOUS↗
The effect of aromatic ring size in electron deficient semiconducting polymers for n-type organic thermoelectrics
Abstract not provided
Alsufyani, Maryam↗