Pt(111) | water interface with solvated proton

As the price of electricity from photovoltaics and wind turbines continues to plummet, the prospects of using electrocatalysis to produce fuels and chemicals in a sustainable way become increasingly viable. Current state-of-the-art electrocatalysts are not yet efficient enough to make such catalytic processes economically feasible, thus the design of new electrocatalysts for energy transformation is a major challenge to science. To this end, a fundamental understanding of the atomic-scale processes that dictate reactivity is essential for progress toward a sustainable energy future.

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

New Member

We look forward to welcoming Stephen Tatarchuk as a Graduate Researcher in Fall 2021!

New Paper

Our first manuscript in collaboration with the Tam Group has just been accepted for publication in ACS Omega!