May 26, 2020

Improving Batteries by Modeling the Materials Space

  Batteries are complex systems of materials. For example, in a lithium…
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Stephen TODD

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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