Berlin 2018 – scientific programme
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O: Fachverband Oberflächenphysik
O 118: Metal substrates: Structure, epitaxy and growth
O 118.1: Talk
Friday, March 16, 2018, 11:00–11:15, MA 005
Metal self-diffusion barriers on terraces and steps and their relation to dendrite growth in batteries — •Markus Jäckle1,2 and Axel Gross1,2 — 1Helmholtz Institut Ulm - Elektrochemische Energiespeicherung, 89069 Ulm, Germany — 2Institut für Theoretische Chemie, Universität Ulm, 89069 Ulm, Germany
The formation of dendrites poses a serious safety and efficiency problem in batteries and can lead to short-circuits during battery operation. As metal growth processes are intimately linked to diffusion behaviour, we initially studied the self-diffusion properties of lithium, sodium and magnesium on the most stable surface terminations by first-principles electronic structure calculations [1]. We have now extended this study to the diffusion properties along and across steps and to other metals that are also used as charge carriers in batteries such as Zn and Al. Additionally, we have investigated the effect of the presence of electric fields on the terrace diffusion behaviour.
We argue that particularly the Ehrlich-Schwoebel barrier is relevant for the three-dimensional growth of metals and thus also dendrite growth. We will show that the new results confirm our previous considerations for Li and Mg. However, no consistent picture arises across all considered metals. Possible reasons for the inconsistencies will be discussed.
[1] M. Jäckle and A. Groß, J. Chem. Phys. 141, 174710 (2014).