Accelerating anhydrous proton conduction <i>via</i> anion rotation and hydrogen bond recombination: a machine-learning molecular dynamics
Saori Minami, Ryosuke Jinnouchi
Abstract
Proton diffusivity in anhydrous electrolytes is strongly correlated with reorientation speed of anions. Anion rotation and hydrogen bond recombination accelerate proton transport.
Topics & Concepts
AnhydrousProtonRecombinationIonThermal conductionHydrogen bondRotation (mathematics)Chemical physicsChemistryAtomic physicsMaterials sciencePhotochemistryPhysicsComputer scienceNuclear physicsMoleculeThermodynamicsOrganic chemistryArtificial intelligenceGeneBiochemistryFuel Cells and Related MaterialsMachine Learning in Materials ScienceCrystallography and molecular interactions