Graduate Student
Metal-air batteries are desirable for vehicle propulsion due to their high theoretical specific energy which rivals that of fossil fuels, however they are plagued by a multitude of problems such as exceedingly large overpotentials (50 to 60% of the total theoretical potential) and corrosion of the metal anode (hydrogen production, capacity loss). My goal is to probe the fundamental productive and parasitic electrochemical processes in these batteries with ab initio simulations in order to find solutions to existing problems and to design improved systems. My previous experiences with DFT include studies on Li ion migration in ceramic mixed conductors for Li-S batteries at Bosch (Germany) and elucidating the mechanism of photochromic transformations at Queen's University (Canada).
