Accelerating materials discovery for electrocatalytic water oxidation via center-environment deep learning in spinel oxides

Using DFT and machine learning, we evaluated 5329 spinel oxides and identified 14 promising OER electrocatalysts. Experimentally, MoAg 2 O 4 showed superior performance, achieving 10 mA cm −2 at 284 mV overpotential, surpassing commercial RuO 2 .