1. Surface properties of anode materials as an indicator of dendrite growth.
- Author
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Guskov, Timur, Mazitov, Arslan, and Kruglov, Ivan
- Subjects
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COPPER , *ENERGY storage , *DENDRITIC crystals , *DENDRITES , *SURFACE properties - Abstract
Anode material is a crucial component of Li-ion battery influencing electrochemical performance and overall efficiency of energy storage and conversion systems. In particular, its surface properties are of decisive importance. In this work, using density functional theory in conjunction with machine-learning interatomic potentials, we calculated diffusion rates of lithium adatom and its adsorption energy on lithium, copper, and lithium–indium alloy surfaces. We compared calculated properties of chosen materials to estimate their propensity to favor dendrite growth. Our results show that copper is a less favorable environment for dendrite formation than lithium itself, while the lithium-indium alloy has the worst surface properties, which can most likely lead to the formation of dendrites. The performed set of calculations can be used as an initial assessment of the suitability of the material for the role of anode. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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