Electrochemistry

I work at the intersection of computational modeling and electrochemistry, using theory and simulation to understand and design materials that drive clean energy conversion. My research focuses on electrocatalysts for fuel cells and electrolyzers, where improving the efficiency of the oxygen evolution (OER) and oxygen reduction reactions (ORR) remains one of the biggest challenges in sustainable energy technologies.

Using first-principles density functional theory (DFT), I investigate how the electronic structure, oxidation states, and surface chemistry of complex oxides and mixed-metal systems evolve under realistic electrochemical environments. I’m particularly interested in how charge transfer, bonding character, and surface reconstructions influence catalytic activity and long-term stability.

Beyond studying individual reactions, I aim to build a more complete picture of how electronic, chemical, and structural factors couple across scales—from the arrangement of atoms on a catalyst surface to the performance of a device. By combining atomistic modeling with insights from operando experiments, I work toward identifying design rules and performance descriptors that can guide the discovery of more efficient, durable, and cost-effective materials for energy conversion and storage.