Author: Jacob Hadler-Jacobsen
Title: How promising are Mg-batteries compared to Li-ion?
Affiliation: Norwegian University of Science and Technology
Mg-batteries have been proposed as a potential future competitor to the Li-ion batteries, much due to their theoretically high volumetric charge density. However, state-of-the-art Mg-batteries has so far not been able to obtain both good cyclability and high operating voltage. In this work we have used a combination of DFT calculations and thermodynamic modelling to shed light on the fundamental promise of Mg-battery technology. Results from DFT calculations on various cathode materials will be presented, showing how migration barriers and voltages compare between Li- and Mg-ions. Ionization enthalpies and Bader charges will also be presented to explain and understand the limitations of Mg-batteries and how to best overcome them.