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Quantifying π-electron delocalization as a universal descriptor for ORR activity in MN4 catalysts

Miao‐Ying Chen, Jiabo Le, Haoran Wu, Weidong Li, Jianan Zhang, Bang‐An Lu

2025Journal of Catalysis9 citationsDOI

Topics & Concepts

ChemistryCatalysisElectron delocalizationDelocalized electronElectronComputational chemistryOrganic chemistryQuantum mechanicsPhysicsElectrocatalysts for Energy ConversionFuel Cells and Related MaterialsMachine Learning in Materials Science
Quantifying π-electron delocalization as a universal descriptor for ORR activity in MN4 catalysts | Litcius