Designing of Highly Efficient Oxygen Evolution Reaction Electrocatalysts Utilizing A Correlation Factor: Theory and Experiment.

The theoretical prediction of the catalytic activity is very beneficial for the design of highly efficient catalysts. At present, most theoretical descriptors focus on estimating the catalytic activity and understanding the enhancement mechanism of catalysts, while it is also quite important to find a factor to correlate the descriptors with preparation methods. In this work, a correlation factor, the d electron density of transition metal ions, was developed to correlate the d band center values of transition metal ions with the preparation methods of amorphization and Al introduction.