Solvation <i>vs.</i> surface charge transfer: an interfacial chemistry game drives cation motion
Stefany Angarita-Gomez, Perla B. Balbuena
Abstract
Electrolyte structure and ion solvation dynamics determine ionic conductivities, and ion (de)solvation processes dominate interfacial chemistry and electrodeposition barriers. We elucidate electrolyte effects facilitating or impeding Li+ diffusion and deposition, and evaluate structural and energetic changes during the solvation complex pathway from the bulk to the anode surface.
Topics & Concepts
SolvationChemistryElectrolyteCharge (physics)Chemical physicsSurface (topology)Electron transferImplicit solvationIonComputational chemistryPhysical chemistryOrganic chemistryPhysicsElectrodeGeometryQuantum mechanicsMathematicsElectrochemical Analysis and ApplicationsAdvanced battery technologies researchMolecular Junctions and Nanostructures