Spin effect regulation as a design principle for M–N–C catalysts for oxygen electrocatalysis

correspond to OER, ORR, and bifunctional oxygen electrocatalysis, respectively. Leveraging the spin moment as activity descriptors, we rapidly screened spin states of Fe/Co/Ni sites on three dual-atom M-N-C frameworks and predicted highly active oxygen electrocatalysts, subsequently validated by DFT calculations. These findings establish a rapid, quantitative, spin effect-based design principle for rational development and accelerated discovery of high-performance oxygen electrocatalysts.