Modelling ternary electrolyte systems for Na-ion batteries

OK, we'll start. Good afternoon, everybody and welcome to our fifth seminar for the Electrochemical Aa Cassyni seminar series. These live seminars are based on selected papers from recently published Electrochemical Act papers. They are open to researchers worldwide and they offer the opportunity to participate in the question and answer session. After each event, the question and answer session will remain open for up to 48 hours after the event. Please note that the seminar is recorded and it remains available for later years or reference for anyone who may wish to watch it at a later date. Recordings were assigned to Doy and they hosted on Cassini thus making them a table part of the academically ecosystem.

During the seminar, attendees should remain muted at all times after the presentation. Anybody who may wish to ask a question should raise his or her hand via the zoom system and you will be invited to speak.

I'd now like to hand over to Professor Rob Hillman editor-in-chief who will introduce today's speakers, Danielle Brandell and Luciano T Costa. We hope you'll enjoy the presentation and please do spread the words to friends and colleagues to keep an eye out for forthcoming seminars over to you. Thank you, Pare as the editor-in-chief of Electrochimical Actor. It's my great pleasure to host these seminars.

And today two speakers are Daniel Brandell Luciano De Costa. I'd like to just say a few words about each of our speakers before allowing them to proceed with their presentation. So Daniel received his PhD at Uppsala University on the thesis on the topic of Molecular dynamic studies of polymer electrolytes or Lithium ion batteries. He then spent some time as a post-doc fellow at University of Virginia Tech, studying electrolytes systems for actuators and fuel cells. Again using MD techniques before returning to Uppsala University where he was appointed as a Professor of Materials in 2016, Luciano is located at the Universidad Federal Fluminense in Brazil and has worked on the development and application of computational chemistry techniques for a range of purposes including ionic liquids, polymers, graphene basement materials, detective solvents and other materials involved in clean technologies. Together, they've worked on a range of these applications involving computational chemistry, looking at Molecular Dynamics, quantum theory of atoms and molecules and non equilibrium MD and computational fluid dynamics.

Today, they're going to talk on a subject that's related to clean technology and energy conversion. And so I would like to invite them together to present their seminar on modeling ternary electrolytes systems for sodium ion batteries.

Daniel, please commence your webinar.

Thank you very much for this introduction. I hope everyone can hear me and see the screen that I am sharing we Luciano and myself, we are very thankful for this opportunity by to, well, first of all, publishing our work, but also then allow us in this format to highlight what we think is a very interesting system to work with and also very interesting electrochemistry. Yeah.

So Mian Luciano, we represent two different universities, Uppsala University in Sweden where I come from and the UFF Deena in Brazil where Luciano is currently active, we have collaborated for More than 10 years on, on different types of topics and we both have a modeling background. So this particular study was on structured dynamic properties of ternary electrolytes systems. And ternary electrolytes systems mean that you have three different components. In this case, it's a Salt, it's a polymer and it's an ionic liquid. So we put them together and then we have explored this for Sodium ion BATTERY purposes. I will begin by giving an introduction to this field. And then Luciano will go into the details of the studies a little bit later.

So the motivation for sodium ion batteries is that if we are familiar with Lithium ion batteries, there is a shortage already now between the supply of the minerals and the demand of the minerals that contains all these elements which are useful for Lithium ion batteries. And this shortage or this mismatch between the supply and demand. This is just going to increase in the future. It's valid for lithium, it's valid for Cobalt, it's valid for Nickel and for different forms of Graphite. And this is highly problematic when it comes to the green transition of the society and the increase of energy storage and electrification. So this motivates why we are looking for substitution of Lithium ion BATTERY for some of the components in the energy system.

Lithium ion batteries will live four and will dominate the BATTERY market for a very long time. But we also need to complement Lithium ion batteries with alternative technologies. And if we're gonna substitute something that is rather rare, we should look for something that is rather common. So in this graph, to the right, we have the abundance in the earth crust of different forms of element. And if you see here, we can see that both lithium Cobalt and Nickel, they are fairly low in these graphs, but we can substitute lithium in many of these with sodium and we can substitute Cobalt and Nickel in many of these pat resistance with iron.