Recent advances in calculating potential of zero charge and Helmholtz capacitance of metal/aqueous solution interfaces from ab initio molecular dynamics
Xue Wang, Yongbo Kuang, Jiabo Le
Topics & Concepts
Differential capacitanceCapacitanceCharge densityMolecular dynamicsHelmholtz free energyElectric fieldChemical physicsAb initioPolarization (electrochemistry)ChemistryDouble-layer capacitanceDensity functional theorySurface chargeDouble layer (biology)Materials scienceAqueous solutionComputational chemistryElectrochemistryElectrodeNanotechnologyLayer (electronics)Physical chemistryThermodynamicsPhysicsQuantum mechanicsOrganic chemistryDielectric spectroscopyElectrochemical Analysis and ApplicationsElectrocatalysts for Energy ConversionSpectroscopy and Quantum Chemical Studies