ECOBAT: Innovative materials to challenge the limitations of lithium-ion batteries

Batteries are one of the key technologies in the transition to a zero-impact society. Most of these batteries require the use of fairly rare metals, for example, nickel or cobalt. The extraction process involves significant environmental risks, and working conditions for miners are often very poor. What's more, current lithium-ion battery technology is reaching its limits in terms of both performance and lifespan and cost reduction, while at the same time being dependent on several essential raw materials.

The aim of the "Electrocoordination chemistry of s-block elements in organic media for future batteries " ECOBAT project is to propose innovative new material solutions while deepening understanding of the underlying mechanisms, both experimentally and theoretically. Investigations are being carried out into the use of natural, non-polluting carbon-based materials. The aim of this project is to address the current limitations of lithium-ion batteries in terms of energy capacity, service life and availability of raw materials. ECOBAT brings together 5 experts in the field of high-performance organic cathodes, efficient use of metal anodes, advanced electrolytes, combining experimental and computational chemistry approaches.

In this context, Benoît Champagne and Pierre Beaujean's expertise in theoretical and computational chemistry enables these mechanisms to be simulated and analyzed on a molecular scale. These numerical simulations employ density functional techniques (to characterize surfaces) as well as ab initio molecular dynamics (solution). They are carried out on the European supercomputer LUMI, the Walloon supercomputer LUCIA, as well as on CÉCI clusters and the PTCI technology platform at the University of Namur. All of this is carried out in a multidisciplinary approach, in close collaboration with experimental teams (UCLouvain and KULeuven) and other theorists (University of Bonn).

Interviewed as part of the project about how he sees batteries of the future, Pierre Beaujean explains:

"The scientific community has almost reached the theoretical capacity of lithium batteries in their current design. As these lithium batteries are unlikely to improve any further, they will not be the technology of the future. We need to fundamentally change the nature of batteries, most likely by choosing a different metal. This choice will involve a compromise between the amount of electrical charge we can store and the mass of the battery. There are many possibilities for the batteries of the future, including those with organic and polymer cathodes, metal-free designs, or solid-solution batteries.

The field of battery technology is evolving rapidly, and I remain hopeful that the ones we develop will be better! 😊"

The ECOBAT project (#40007515) is funded by the FWO and the FNRS as part of the EOS - The Excellence of Science program.