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
Topics & Concepts
ChemistryCatalysisElectron delocalizationDelocalized electronElectronComputational chemistryOrganic chemistryQuantum mechanicsPhysicsElectrocatalysts for Energy ConversionFuel Cells and Related MaterialsMachine Learning in Materials Science