Presenter: Piotr Jankowski
Title: DFT Modelling for boosting R&D of Magnesium Technology
Affiliation: DTU Energy, Technical University of Denmark
Magnesium battery technology is one of the promising post-lithium technology, that has potential to reduce our lithium dependence and at the same time outperform current Li-ion technology. Magnesium is more abundant, hence cheaper, and comes with promises of higher energy density and lower tendency to dendrite formation – possibility of metallic anode application. Higher safety, together with easier recycling process, in respect to lithium, give environmental friendliness and sustainability to this technology and result overall in a very attractive set of properties. Unfortunately, several challenges come along with replacement of lithium by magnesium, and need to be resolved prior to successful commercialization of this technology: low diffusion of Mg-ions inside host materials; low potential of cathode materials; aggregation of ions inside Mg-based electrolytes.
Rational design of new materials is necessary and DFT calculations are shown to provide valuable support in it.