In search of lost descriptors: Correlations and their risks

The use of a variety of thermodynamic and electronic proper-ties as descriptors to obtain simple correlations in electro-catalysis is a popular strategy. However, due to the complexity of reactions in an electrochemical environment, it is not possible to make a general non-trivial model. This concern is also applicable to the hydrogen evolution reaction, wrongly considered as a prototype of a simple catalytic reaction. We shall discuss in deep the limitations and risks of such approaches.

Automated summary

The article discusses the limitations and risks of using thermodynamic and electronic properties as descriptors to obtain simple correlations in electro-catalysis.