May 26, 2020

Improving Batteries by Modeling the Materials Space

  Batteries are complex systems of materials. For example, in a lithium…
Stephen TODD
Stephen Todd is a Strategy Planning Expert for the BIOVIA team at Dassault Systèmes UK with a special focus on materials science and simulation tools. Prior to joining the Strategy team, Stephen was the Portfolio Manager for BIOVA’s discrete modeling and simulation tools and worked for 15 years with various stakeholders to build the market leading Materials Studio simulation product. He holds a PhD in molecular modeling of liquid crystals from the University of Hull, UK and enjoys getting people excited about science.

Batteries are complex systems of materials. For example, in a lithium ion battery the electrodes contain an active material such as graphite or a mixed metal oxide combined with a polymer binder, whilst the electrolyte is a complex formulation of organic and organometallic materials (see Figure 1). As the battery charges and discharges, many chemical reactions occur, causing the underlying chemistry of the battery to change. This leads to formation of the solid-electrolyte interphase (SEI) which protects the anode but also contributes to capacity fade and can lead to battery failure. This changing chemistry makes batteries difficult to model but also makes the challenge more interesting!

For more details on multiscale simulations of electrolytes click on the button above.

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