Oxygen Evolution Reaction on Perovskites: A Multieffect Descriptor Study Combining Experimental and Theoretical Methods

TL;DR

This study investigates how multiple physicochemical properties of perovskites influence their oxygen evolution reaction activity, emphasizing a multieffect descriptor approach that combines experimental and theoretical insights for catalyst design.

Contribution

It introduces a multieffect descriptor framework linking several properties to OER activity, advancing catalyst design beyond single-parameter correlations.

Findings

No single property solely determines OER activity.

Deviations in correlations are explained by multiple properties.

Multieffect descriptors improve understanding of catalyst performance.

Abstract

The correlation between ex situ electronic conductivity, oxygen vacancy content, flat-band potential (Efb), and the oxygen evolution reaction (OER) activity for a wide range of perovskite compositions are investigated experimentally and theoretically. It is found that all of these parameters can affect the OER activity; however, none of them alone play a crucial role in determining the electrocatalytic activity. The correlation of one single physicochemical property with the OER activity always presents deviation points, indicating that a limitation does exist for such 2-dimensional correlations. Nevertheless, these deviations can be explained considering other physicochemical properties and their correlation with the OER activity. Hence, this work aims in simultaneously linking the OER activity with several physicochemical materials properties. The concept of the OER/multidescriptor relationship represents a significant advancement in the search and design of highly active oxygen evolution catalysts, in the quest for efficient anodes in water electrolyzers.