After establishing the structural models of NiCat and Fe:NiCat consistent with experimental data, we used them to explore the atomistic mechanism of the oxygen evolution reaction (OER), which is ...

The activities of the oxygen evolution reaction (OER) on IrO2 and RuO2 catalysts are among the highest known to date. However, the intrinsic OER activities of surfaces with defined crystallographic ...

This software package includes all data, models, and analysis scripts necessary for reproducing "Atom by atom design of metal oxide catalysts for the oxygen evolution reaction with machine learning".

However, this process has long been challenged by the slow chemical kinetics of the oxygen evolution reaction that make ... that based on our design scheme we will come up soon with highly ...

This manipulation helps to speed up the oxygen evolution reaction for successful water ... however we are confident that based on our design scheme we will come up soon with highly efficient ...