Prof. Dr. Axel Groß
University of Ulm
gives a talk on the subject:
Batteries of the future addressed by first-principles simulations - nur per ZOOM
Currently, the market for high-performance batteries for stationary and mobile applications is dominated by the Li-ion battery technology. However, the high demand for Li-ion batteries leads to challenges and risks, in particular as far as the availability of the raw materials for these type of batteries is concerned. Hence there is a growing interest in alternative battery technologies, in which Li is replaced by alternative charge carriers such as Na, K, Mg, Ca or Al. However, most of these alternative battery types require an entirely new design with respect to their components such as electrodes and electrolytes. The search for such components necessitates also increased fundamental research efforts with respect to basic scientific aspects of materials properties.
In this talk, I will focus on atomistic studies based on first-principles electronic structure calculations aiming at a fundamental understanding of battery properties. I will particularly focus on so-called descriptors which represent correlations between some basic materials properties and desired or non-desired functional properties of these materials. Once reliable descriptors are established, they can significantly speed up the search for new materials with promising properties. This concept will be applied to the understanding of dendrite growth in batteries which represents the main cause for battery fires. Furthermore, the mobility of charge carriers in electrodes and electrolytes will be addressed which is a critical performance parameter of batteries. Finally, also some technological aspects leading to improved battery performance will be discussed.
Interested parties are cordially invited.
Prof. Dr. Kühn