Crystal Structure Prediction for Next Generation Battery Materials: Angela Harper

Identifying high capacity battery materials is critical for creating better energy storage to lower our reliance on non-renewable energy resources.

While there are many different materials that have been synthesised and tested experimentally, the question remains: Are there materials which exist in theory but have never been made? And if so, how do we find them? One way to address this question is through crystal structure prediction.

Using physical constraints, chemical intuition, and high-throughput data searching we are able to take elements from the periodic table and propose as-yet undiscovered structures which can accelerate our search for new battery materials.

Angela presents the methods used in condensed matter physics to find new battery anode materials, and compare the results of her own work with experimental data.

Presented at Churchill College, 21 November 2018.

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