Electrochemistry

I work at the intersection of computational modeling and electrochemistry to understand and design next-generation materials for energy conversion technologies. My research primarily focuses on electrocatalysts used in fuel cells and electrolyzers, where improving the efficiency of oxygen evolution (OER) and oxygen reduction reactions (ORR) is critical. Using first-principles density functional theory (DFT), I analyze surface energetics, electronic structure, and reaction pathways of complex metal oxides and mixed-metal systems under electrochemical conditions. I also explore how factors such as oxidation states, surface phases, and charge transfer influence catalytic activity and stability. By simulating realistic reaction environments and identifying key performance descriptors, my goal is to accelerate the discovery of cost-effective and durable electrocatalysts for clean energy applications.