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Anion-Assisted Delivery of Multivalent Cations to Inert Electrodes
- Publication Year :
- 2021
- Publisher :
- United States: NASA Center for Aerospace Information (CASI), 2021.
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Abstract
- To understand and control key electrochemical processes - metal plating, corrosion, intercalation, etc. requires molecular-scale details of the active species at electrochemical interfaces and their mechanisms for de-solvation from the electrolyte. Using free energy sampling techniques we reveal the interfacial speciation of divalent cations in ether-based electrolytes and mechanisms for their delivery to an inert graphene electrode interface. Surprisingly, we find that anion solvophobicity drives a high population of anion-containing species to the interface that facilitate the delivery of divalent cations, even to negatively charged electrodes. Our simulations indicate that cation desolvation is greatly facilitated by cation-anion coupling. We propose anion solvophobicity as a molecular-level descriptor for rational design of electrolytes with increased efficiency for electrochemical processes limited by multivalent cation desolvation.
- Subjects :
- Energy Production And Conversion
Subjects
Details
- Language :
- English
- Database :
- NASA Technical Reports
- Notes :
- 80ARC020D0010
- Publication Type :
- Report
- Accession number :
- edsnas.20210011297
- Document Type :
- Report