Examination of the Brønsted-Evans-Polanyi relationship for the hydrogen evolution reaction on transition metals based on constant electrode potential density functional theory.

In the search for efficient and inexpensive electrocatalysts for the hydrogen evolution reaction (HER), the hydrogen binding energy is often used as a descriptor to represent the catalytic activity. The success of this approach relies on the Brønsted-Evans-Polanyi (BEP) relationship. In this study, we used constant electrode potential density functional theory calculations to examine this relationship.