Computational Examination of Orientation-Dependent Morphological Evolution during the Electrodeposition and Electrodissolution of Magnesium

DeWitt, S.; Hahn, N.; Zavadil, K.; Thornton, K.

doi:10.1149/2.0781603jes

Computational Examination of Orientation-Dependent Morphological Evolution during the Electrodeposition and Electrodissolution of Magnesium

Journal Article · Wed Dec 30 00:00:00 EST 2015 · Journal of the Electrochemical Society

DOI:https://doi.org/10.1149/2.0781603jes· OSTI ID:1285959

DeWitt, S. ^[1]; Hahn, N. ^[2]; Zavadil, K. ^[2]; Thornton, K. ^[3]

Univ. of Michigan, Ann Arbor, MI (United States). Joint Center for Energy Storage Research; Univ. of Michigan, Ann Arbor, MI (United States). Applied Physics Program
Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Joint Center for Energy Storage Research
Univ. of Michigan, Ann Arbor, MI (United States). Joint Center for Energy Storage Research; Univ. of Michigan, Ann Arbor, MI (United States). Applied Physics Program; Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Materials Science and Engineering

Here a new model of electrodeposition and electrodissolution is developed and applied to the evolution of Mg deposits during anode cycling. The model captures Butler-Volmer kinetics, facet evolution, the spatially varying potential in the electrolyte, and the time-dependent electrolyte concentration. The model utilizes a diffuse interface approach, employing the phase field and smoothed boundary methods. Scanning electron microscope (SEM) images of magnesium deposited on a gold substrate show the formation of faceted deposits, often in the form of hexagonal prisms. Orientation-dependent reaction rate coefficients were parameterized using the experimental SEM images. Three-dimensional simulations of the growth of magnesium deposits yield deposit morphologies consistent with the experimental results. The simulations predict that the deposits become narrower and taller as the current density increases due to the depletion of the electrolyte concentration near the sides of the deposits. Increasing the distance between the deposits leads to increased depletion of the electrolyte surrounding the deposit. Two models relating the orientation-dependence of the deposition and dissolution reactions are presented. Finally, the morphology of the Mg deposit after one deposition-dissolution cycle is significantly different between the two orientation-dependence models, providing testable predictions that suggest the underlying physical mechanisms governing morphology evolution during deposition and dissolution.

View Accepted Manuscript (DOE)

Research Organization:: Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

Grant/Contract Number:: AC02-05CH11231; AC04-94AL85000

OSTI ID:: 1285959

Report Number(s):: SAND2016--7290J; 646213

Journal Information:: Journal of the Electrochemical Society, Journal Name: Journal of the Electrochemical Society Journal Issue: 3 Vol. 163; ISSN 0013-4651

Publisher:: The Electrochemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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