Headteacher's Welcome
Heterogeneous Catalysis

Heterogeneous catalysis plays a vital role in many industrial, environmental and chemical processes. Our group uses advanced computational tools based on density functional theory (DFT) and ab initio molecular dynamics (AIMD) to understand the underlying physical and chemical processes from an atomistic point of view on transition metal, metal oxide, and nanocluster surfaces. With this knowledge, we then try to design low-cost catalysts and improve their catalytic performance to achieve sustainable energy.
Li-ion Batteries (LIBs)

LIBs have attracted one of the most promising energy storage systems because of their high theoretical capacity and energy density. Our group uses state of the art computational techniques in the design and discovery of efficient electrolyte materials and outline design guidelines for electrolytes and their interfaces. We explore the degradation mechanisms at the electrolyte-electrode interfaces and provide solutions such as novel coating materials for improving their overall performances.

