The Skylaris research group is inviting applications for PhD students to work on large-scale quantum chemistry simulations of reactive battery interfaces. This project will provide the opportunity to interact closely with the Faraday Institution (FI), the £78m UK Government’s Flagship Initiative for the development of next-generation battery-powered electric cars. It will also involve collaboration with other projects in Battery Science at the University of Southampton, a founding member of the Faraday Institution.
Modern high-performance batteries (predominately Li-Ion based) are based on complex chemistry whose understanding is crucial as it determines the performance and the lifetime. A key challenge towards this goal is the development of a detailed model of the Solid-Electrolyte-Interphase (SEI), which has so far eluded atomistic simulations due to its complexity and scale. The SEI is key for the high energy density of Li-Ion batteries as it protects the active material from parasitic reactions.