Data driven computational design of stable oxygen evolution catalysts by DFT and machine learning: Promising electrocatalysts
Hwanyeol Park, Yunseok Kim, Seulwon Choi, Ho Jun Kim, Ho Jun Kim
Topics & Concepts
CatalysisOxygen evolutionDensity functional theoryMaterials scienceElectrochemistryTransition metalNanotechnologyChemistryComputer scienceCombinatorial chemistryComputational chemistryPhysical chemistryOrganic chemistryElectrodeElectrocatalysts for Energy ConversionMachine Learning in Materials ScienceFuel Cells and Related Materials