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DFT and machine learning studies on a multi-functional single-atom catalyst for enhanced oxygen and hydrogen evolution as well as CO2 reduction reactions

Mohsen Tamtaji, Mohammad Kazemeini, Jafar Abdi

2024International Journal of Hydrogen Energy34 citationsDOI

Topics & Concepts

CatalysisDensity functional theoryHydrogenOxygenOxygen reductionAtom (system on chip)Reduction (mathematics)ChemistryOxygen atomOxygen reduction reactionHydrogen atomMaterials scienceComputer scienceComputational chemistryPhysical chemistryMoleculeOrganic chemistryMathematicsElectrodeElectrochemistryAlkylGeometryEmbedded systemElectrocatalysts for Energy ConversionMachine Learning in Materials ScienceFuel Cells and Related Materials
DFT and machine learning studies on a multi-functional single-atom catalyst for enhanced oxygen and hydrogen evolution as well as CO2 reduction reactions | Litcius