A DFT study on the relationship between local microstructure and oxygen reduction reaction activity over Fe-N4 graphene
Baoxin Ge, Biyi Chen, Longhua Li
Topics & Concepts
GrapheneMaterials scienceDensity functional theoryMagnetic momentCatalysisMicrostructureOxygen reduction reactionGibbs free energyOxygenCenter (category theory)MetalOxygen reductionTransition metalPhysical chemistryNanotechnologyComputational chemistryThermodynamicsCrystallographyCondensed matter physicsMetallurgyOrganic chemistryChemistryPhysicsElectrochemistryElectrodeElectrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceSemiconductor materials and devices