Surface pourbaix plots of M@N4-graphene single-atom electrocatalysts from density functional theory thermodynamic modeling
Ana S. Dobrota, Natalia V. Skorodumova, Slavko Mentus, Igor A. Pašti
Topics & Concepts
Pourbaix diagramDensity functional theoryGrapheneSurface (topology)Atom (system on chip)ElectrochemistryChemistryMaterials scienceComputational chemistryThermodynamicsChemical physicsPhysical chemistryNanotechnologyPhysicsElectrodeMathematicsGeometryEmbedded systemComputer scienceElectrocatalysts for Energy ConversionElectrochemical Analysis and ApplicationsNanomaterials for catalytic reactions