Water Breakup at Fe<sub>2</sub>O<sub>3</sub>–Hematite/Water Interfaces: Influence of External Electric Fields from Nonequilibrium <i>Ab Initio</i> Molecular Dynamics
Zdeněk Futera, Niall J. English
Abstract
-hematite/water interfaces is also an interesting feature, with the development of protonic conduction on the surface and more bulk-like water.
Topics & Concepts
HematiteChemical physicsAdsorptionMoleculeDissociation (chemistry)Ab initioChemistrySelf-ionization of waterMolecular dynamicsMaterials sciencePhysical chemistryComputational chemistryMineralogyOrganic chemistryIron oxide chemistry and applicationsSpectroscopy and Quantum Chemical StudiesGeophysical and Geoelectrical Methods