Local surface crystal structure fluctuation on Li, Na and Mg metal anodes

Dendrite formation occurs on Li, Na, and Mg metal anodes in rechargeable batteries, is a safety challenge, as well limiting factor for increasing energy- power density. However, the behaviour of dendrites differs depending anode material. In this study, we investigate local bulk surface crystal structure surfaces to shed light how differences morphology its deposits can explain dendrite anodes. The bulk- are found using molecular dynamics simulations combination with adaptive common neighbour analysis, indicate that Li Na more prone instabilities protrusions than surfaces, which remain flat hexagonal close-packed even near room temperature. Additionally, equilibrium shapes obtained from density functional theory assume deposits. Together, these results atomic mechanisms may contribute different propensities form dendrites.