Summary
Past Group Members
DR. FeDERICO RAFFONE
Federico (from Italy) is applies and develops novel theoretical and computational methodology based on first principles to understand fundamental electro-catalytic phenomena at electrified interfaces of interest for energy and nanotechnology.
Liquan Pi
MRes Nanomaterials 2018-19, joint with Patrcia Hunt
Liquan (from China) is investigating Li-ion solvation and diffusion mechanisms in ionic liquid mixtures with molecular solvents. Such mixtures are being explored as electrolytes for next-generation Li-air batteries. In particular, Liquan is using computational methods (MD and ab-initio MD) to study ([BMP][TFSI]) mixed with dimethyl sulfoxide (DMSO). Simulation methodologies will be employed to expand our fundamental understanding of solute-solvent interactions within the Li -[BMP][TFSI]-DMSO system.
Lushi Cheng
MRes Nanomaterials 2018-19, joint with Nicholas Harrison
Lushi (from China) is investigating the initial stages of Mg corrosion. She uses density functional theory to model fundamental water adsorption processes on the metal surface and how these are affected by the application of an applied potential