In this work we present a data-driven approach to the rational design of battery materials based on both resource and performance considerations. A large database of Li-ion battery material has been created by abstracting information from over 200 publications. The database consists of over 16,000 data points from various classes of materials. In addition to reference information, key parameters and variables determining the performance of batteries were collected. This work also includes resource considerations such as crustal abundance and the Herfindahl–Hirschman index, a commonly accepted measure of market concentration, calculated from geological data (known elemental reserves) and geopolitical data (elemental production).<br/>Results show that intercalation based cathode materials follow a similar property-based tendency based on their structure type. Materials with layered structures have high capacity and high energy while spinels and olivines exhibit high voltage and high power density. Also Layered structure possesses lower columbic efficiency. For anode materials, alloyings namely tin and silicon based material tend to exhibit better performance. Alloy-based materials tend to follow a similar performance trend based on elemental composition whereas conversion-based materials although commonly thought to have similar properties depending on their electronegativity, they exhibit some elemental dependent tendency. Moreover conversion-based materials showed higher voltage hysteresis than alloys and this voltage hysteresis increases with increasing redox average potential.<br/>Examining resource parameters shows that achieving high performance is possible even using abundant materials with low supply/demand risk. For cathode materials, high energy density materials are generally scarcer than high power density materials. Alternative materials for both electrodes based on abundant compositions are identified. To maximize the impact of our research we have developed a freely-available website (http://tomcat.eng.utah.edu/sparks/battery.jsp) that allows researchers worldwide to access our data and visualize any combination of parameters employing a 4D plot.

Data-driven review of battery materials: Performance and resource considerations

249th National Meeting (2015)

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