Dresden 2020 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 31: Poster Session - Metal substrates: Structure, Epitaxy and Growth

O 31.1: Poster

Montag, 16. März 2020, 18:15–20:00, P1C

Influence of strain on dendrite growth in battery materials — •Daniel Stottmeister and Axel Gross — Institut für Theoretische Chemie, Universität Ulm, 89069 Ulm, Germany

The growth of dendrites to this date represents a significant safety problem in the operation of high-performance batteries. Unraveling the underlying mechanics of dendritic growth has been the focus of many studies, and recent results strongly suggest that strain effects might influence the growth mechanism. Density functional theory (DFT) is a well-established method for the description of metal systems on an atomic level and can help to understand the underlying processes behind dendrite growth. In this contribution, ab initio calculations were performed in order to investigate the effects of strain on diffusion processes for a selection of promising battery materials such as lithium, sodium, and potassium. In order to address the possible influence of the electrochemical environment on the dendrite growth, first attempts to include the presence of electrolytes in the calculations will be presented.