Engineering O–O formation on dual-atom Fe–Mo catalysts for oxygen electrocatalysis
Luoluo Qi, Yanan Tang, Tao Gan, Jingqi Guan
Abstract
through the Fe-Mo dual-atom sites, avoiding the limitations of the linear scaling relationship and thereby accelerating the oxygen electrocatalysis process. Density functional theory calculations reveal that the bridged oxygen adsorption mode on the Fe-Mo dual-atom sites exhibits lower energy barriers compared to that on single Fe/Mo sites, favoring the oxygen electrocatalysis.
Topics & Concepts
ElectrocatalystBifunctionalOxygenCatalysisDesorptionChemistryAdsorptionInorganic chemistryRaman spectroscopyElectrochemistryChemical engineeringOxygen evolutionDensity functional theoryOxygen storageOxygen reductionMaterials scienceActivation energyElectrocatalysts for Energy ConversionCO2 Reduction Techniques and CatalystsAmmonia Synthesis and Nitrogen Reduction