Comparative density functional theory study for predicting oxygen reduction activity of single-atom catalyst
Azim Fitri Zainul Abidin, Ikutaro Hamada
Topics & Concepts
Density functional theoryCatalysisReduction (mathematics)Atom (system on chip)ChemistryOxygenOxygen reduction reactionComputational chemistryMaterials sciencePhysical chemistryMathematicsComputer scienceOrganic chemistryGeometryElectrodeElectrochemistryEmbedded systemElectrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceFuel Cells and Related Materials