Xinying Zhang

Jun 26, 2024 | pubs.rsc.org | Yihang Li |Xinying Zhang |Tao Li |Yingying Chen

Accelerating Materials Discovery for Electrocatalytic Water Oxidation via Center-Environment Deep Learning in Spinel Oxides Identifying efficient electrocatalysts for oxygen evolution reaction (OER) is vital for sustainable energy. This study focuses on efficient spinel OER electrocatalysts. We utilize a covalent competition-based interpretable machine learning process, combining DFT and ML, to evaluate 5329 spinel structures for identifying promising OER electrocatalysts.