Modeling electrified metal/water interfaces from ab initio molecular dynamics: Structure and Helmholtz capacitance
Jiabo Le, Jun Cheng
Topics & Concepts
Ab initioHelmholtz free energyCapacitanceMolecular dynamicsDielectricChemical physicsMaterials scienceAb initio quantum chemistry methodsElectrodeChemistryNanotechnologyComputational chemistryPhysicsPhysical chemistryThermodynamicsMoleculeOptoelectronicsOrganic chemistryElectrochemical Analysis and ApplicationsElectrocatalysts for Energy ConversionSemiconductor materials and devices