Constant charge method or constant potential method: Which is better for molecular modeling of electrical double layers?
Liang Zeng, Xi Tan, Xiangyu Ji, Shiqi Li, Jinkai Zhang, Jiaxing Peng, Sheng Bi, Guang Feng
Topics & Concepts
ElectrolyteConstant (computer programming)Molecular dynamicsWork (physics)ElectrodeVoltageAqueous solutionBiological systemMaterials scienceComputer scienceElectrochemistryTime constantChemical physicsNanotechnologyChemistryThermodynamicsComputational chemistryPhysicsElectrical engineeringPhysical chemistryEngineeringBiologyProgramming languageElectrochemical Analysis and ApplicationsAdvanced battery technologies researchIonic liquids properties and applications