New method for electrocatalytic mechanism enumeration published in JPCC

A new article by Profs. Ananth Govind Rajan and Emily A. Carter, entitled “Discovering Competing Electrocatalytic Mechanisms and Their Overpotentials: Automated Enumeration of Oxygen Evolution Pathways” was recently published in The Journal of Physical Chemistry C. The associated code for mechanism enumeration is available at https://github.com/agrgroup/optimizeOERmechanism. Check out the paper here:

https://pubs.acs.org/doi/10.1021/acs.jpcc.0c08120