Water dynamics and sum-frequency generation spectra at electrode/aqueous electrolyte interfaces
Jean-François Olivieri, James T. Hynes, Damien Laage
Abstract
We perform molecular dynamics simulations of aqueous NaCl solutions at the interface with graphene electrodes, and examine the impact of both ion concentration and electrode potential on interfacial water reorientational dynamics.
Topics & Concepts
ElectrodeElectrolyteMolecular dynamicsAqueous solutionChemical physicsDynamics (music)Electrode potentialGrapheneSpectral lineIonMaterials scienceChemistryAnalytical Chemistry (journal)Computational chemistryNanotechnologyPhysical chemistryPhysicsEnvironmental chemistryAcousticsOrganic chemistryAstronomySpectroscopy and Quantum Chemical StudiesElectrochemical Analysis and ApplicationsElectrostatics and Colloid Interactions