Revealing the Correlation of OER with Magnetism: A New Descriptor of Curie/Neel Temperature for Magnetic Electrocatalysts

Developing accurate descriptors for oxygen evolution reaction (OER) is of great significance yet challenging, which roots in and also boosts the understanding of its intrinsic mechanisms. Despite various descriptors are reported, it still has limitations in the facile prediction, given that complicated analytical techniques as well as time-consuming modeling and calculations are indispensable. In the present work, strong correlation of magnetic property with OER performance is revealed by in-depth investigations on the crystal and electronic structures. A facile descriptor of Curie/Neel temperature (T-C/N) is developed for La2-xSrxCo2O6-delta perovskite oxides, based on the inference that both magnetism and OER are rooted in the electron exchange interaction. Specifically, both the T-C/N and OER activity are proportional to the degree of p-d orbital hybridization, which increases with enlarged bond angle of CoOCo and/or increased oxidation of Co. This finding reveals that T-C/N from magnetic characterizations is an effective descriptor in designing novel OER electrocatalysts, and interdisciplinary researches are advantageous for revealing the controversial mechanisms of OER process.

Automated summary

The strong correlation between magnetic properties and OER performance is revealed, with a new descriptor T-C/N developed for predicting the OER activity based on electron exchange interaction and orbital hybridization. The findings suggest that T-C/N from magnetic characterizations can be an effective tool in designing novel OER electrocatalysts.