Modelling the Li-ion battery SEI

Mohammed Bin Jassar has worked hard during his PhD and a few months after his defence, I am happy to announce two publications of his: A perspective article in Advanced Functional Materials and a benchmarking Study in J. Phys. Chem. C. The latter discusses the use of semi-empirical methods for SEI related reactions and we have performed molecular dynamics simulations of the inorganic/organic interface of the SEI, demonstrating the high reactivity of Li₂O.