Synergistic spin–valence catalysis mechanism in oxygen reduction reactions on Fe–N–C single-atom catalysts
Daoxiong Wu, Zhiwen Zhuo, Yiming Song, Peng Rao, Junming Luo, Jing Li, Peilin Deng, Jinlin Yang, Xiaojun Wu, Xinlong Tian
Abstract
Theoretical calculations revealed the synergistic spin–valence catalysis mechanism in the oxygen reduction reaction on Fe–N–C single-atom catalysts and elucidated the crucial role of the synergy of spin and valence of the Fe site in determining its activity.
Topics & Concepts
CatalysisValence (chemistry)ChemistryOxygenAtom (system on chip)Oxygen atomOxygen reduction reactionOxygen reductionReaction mechanismPhotochemistryPhysical chemistryMoleculeOrganic chemistryElectrochemistryComputer scienceElectrodeEmbedded systemElectrocatalysts for Energy ConversionCatalytic Processes in Materials ScienceCatalysis and Hydrodesulfurization Studies