Theoretical Electrochemistry at SFU

Our research explores the realms of theoretical chemical physics and electrochemistry. It combines a well-devised hierarchy of methods and approaches in theory and in molecular modeling to unravel the “multiscale” relations between structure, physicochemical properties and performance of materials for electrochemical energy conversion. We collaborate closely with experimental groups to systematically evaluate theoretical findings, develop novel diagnostic approaches and explore new routes in design, fabrication and characterization of advanced functional materials for energy applications.


Prof. Michael Eikerling has been selected as the winner of the Alexander Kuznetsov Prize for Theoretical Electrochemistry of the International Society of Electrochemistry, in recognition of his groundbreaking work in theory and modelling of polymer electrolyte fuel cells with an emphasis on water management, transport, and electrocatalysis.

The contribution "Non-monotonic Surface Charging Behavior of Platinum: A Paradigm Change" , by Jun Huang, Ali Malek, Jianbo Zhang and Michael Eikerling has been selected to be featured in ACS Editors' Choice in The Journal of Physical Chemistry C.

The contribution "How theory and simulation can drive fuel cell electrocatalysis" , by M. J. Eslamibidgoli, J. Huang, T. Kadyk, A. Malek, M. Eikerling, covers essential phenomena from atomic scale to nanoscale in fuel cell electrocatalysis, and presents perspectives for first-principles electrochemical modeling.

The contribution entitled "Atomistic Mechanism of Pt Extraction at Oxidized Surfaces: Insights from DFT", by Mohammad Javad Eslamibidgoli and Michael H. Eikerling, utilizes density functional theory calculations to explore the local mechanism of platinum atom extraction and oxygen substitution at an oxygen-covered Pt surface. [Link]

Dr. Michael Eikerling and Dr. Andrei Kulikovsky published their book titled "Polymer Electrolyte Fuel Cells: Physical Principles of Materials and Operation". (download flyer)



Dr. Michael Eikerling
Department of Chemistry 
Simon Fraser University