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 Lab 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 electrocatalytic carbon dioxide reduction.

Research Keywords



Materials & Interfaces

Density Functional Theory

Molecular Dynamics

Microkinetic Modelling

Just Announced

We are hiring!

The Computational Electrochemistry Lab is looking for 2–3 MSc and PhD students to start in Summer Semester. Check out the News page for more information.

Upcoming conferences

Leanne has been invited to give seminars at CCCE (May) and CSTCC (August), and she will also chair a session at AIChE (November).