SEARCH · Engineering Papers
Results for “METALLICITY”
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Cation-exchanged conductive Mn2DSBDC metal-organic frameworks: Synthesis, structure, and THz conductivity
Explore the source record for details and available documents.
Influence of water content on alkali metal chloride transport in cross-linked Poly(ethylene glycol) diacrylate.2. Ion diffusion
Not provided.
Ionizing radiation shielding properties of metal oxide impregnated conformal coatings
Not provided.
Progress in metal corrosion mechanism and protective coating technology for interconnect and metal support of solid oxide cells
Not Available
Role of biogenic Fe(III) minerals as a sink and carrier of heavy metals in the Rio Tinto, Spain
Not Available
Dermal and oral exposure risks to heavy metals from 3D printing metal-fill thermoplastics
Not provided.
Shock-induced reactions in metal nitride – Boron nanostructured composites
Not Available
Review of noble metal and metal-oxide-semiconductor based chemiresistive hydrogen sensors
Not provided.
Strong cube-textured titanium nitride conductive films directly on flexible metal substrate
Not provided.
Rapid, Selective, Ambient Growth and Optimization of Copper Benzene-1,3,5-Tricarboxylate (Cu-BTC) Metal Organic Framework Thin Films on a Conductive Metal Oxide for Sensing Applications
ACS Spring 2022 National Meeting, Virtual, March 20-24, 2022
Localized High Concentration Electrolytes for High Voltage Lithium-Metal Batteries: Correlation between the Electrolyte Composition and Its Reductive/Oxidative Stability
We demonstrate a first-principles screening methodology as an effective tool to explore electrolyte formulations for the new generation of high energy density rechargeable batteries. We study the liquid structure and electronic properties in dilute electrolytes, high concentration electrolytes (HCE), and localized high concentration electrolytes (LHCE), with focus on electrolyte formulations based on lithium bis(fluorosulfonyl)imide (LiFSI), dimethyl carbonate (DMC), and bis(2,2,2-trifluoroethyl) ether (BTFE) as a diluent. We describe the solvation complexes in the dilute electrolyte and explore structural changes triggered by the increase in lithium salt concentration for HCEs and the diluent effects in LHCEs. In HCE formulations, there is a 4-fold coordination environment of lithium-ions as in the dilute electrolyte, but the number of lithium-ion interactions with O atoms from FSI- anions dominates. In these solutions, the ability of the FSI- anions to interact with multiple lithium-ions allows complex 3D network formation and influences the reductive/oxidative behavior of the electrolyte. Interestingly, in LHCEs, the BTFE diluent molecules do not change the 3D solution structure when diluting the HCE formulation from 5.49 to 3.83 M. However, there is a composition threshold where the structural and electronic behavior may change. We show that diluting the HCE electrolyte with BTFE down to 1.77 M breaks the three-dimensional solution structure into an island-like solvation complex. We relate these structural changes to the electronic properties of the electrolytes finding a causal relationship between the reductive/oxidative behavior and the lithium-oxygen interaction mechanisms in the solvated complexes. The coordination with lithium-ions lowers the electrolyte LUMO and HOMO levels: the higher is the number of interactions with lithium-ions, the more likely the solvent molecule, FSI- anion, or diluent molecule is to be reduced and the less likely it is to become oxidized. The evolution of the solvated ion structure in HCE and LHCE suggests a close connection to a corresponding change in the lithium-ion transport mechanisms for these electrolytes.