Debalaya Sarker

Title: Theoretical study of electronic structure, defects and polarons in perovskites, and their influence on catalytic performance.

Description: The candidate will study electronic structure of doped perovskite oxides using ab initio methods, namely density-functional theory. In particular, the candidate will study Ni- and Fe-based Ruddlesden-Popper phases, in relation to their exceptional catalytic performance in urea oxidation and oxygen evolution reaction. The project will be performed in collaboration with Keith Stevenson’s group.