Our research group at Yale designs and demonstrates efficient, stable, and cost-effective photoelectrochemical (PEC) devices.

For that, we need to understand the non-equilibrium light-driven chemical catalysis or materials synthesis processes, involving charge separation, charge transfer, and chemical transport at a PEC interface.

Unlike molecular systems, the timescale of light-induced charge separation is much faster than redox catalysis. Besides, ab initio calculations for semiconductor photocatalysts are far too complicated.

We leverage catalysis, transport science, and continuum modeling approaches, augmented by AI/Digital Twin, to elucidate and design photocatalysts that operate efficiently in a practical reactor environment.