Pt(111) | water interface with solvated proton

Coupling renewably generated electricity with inert starting materials to produce chemical fuels would bring about a revolutionary stride forward for society, reducing or even eliminating the need for fossil fuels and enabling electrified transportation along with widespread grid-scale storage. Research in the Computational Electrochemistry Laboratory is led by Prof. Leanne D. Chen and focuses on using ab initio computational methods to model reactions occurring at the electrode-electrolyte double-layer—arguably the most important component in an electrochemical cell. Gaining atomic-scale insight at this interface would have immense impact on the rational design of fuel cells, batteries, and other energy transformation systems such as the electroreduction of carbon dioxide.

Research Keywords



Materials & Interfaces

Density Functional Theory

Molecular Dynamics

Microkinetic Modelling

Just Announced

Grant success

Congratulations to Leanne for being awarded an NSERC Discovery Grant! Check out the U of G press coverage.

New member

Dr. Rachelle Choueiri joins the CEL@G as a Postdoctoral Fellow!