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

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.
 [1] ;  [2] ;  [2] ;  [3]
  1. 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
  2. Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Joint Center for Energy Storage Research
  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; Univ. of Michigan, Ann Arbor, MI (United States). Dept. of Materials Science and Engineering
Publication Date:
OSTI Identifier:
Report Number(s):
Journal ID: ISSN 0013-4651; 646213
Grant/Contract Number:
AC04-94AL85000; AC02-05CH11231
Accepted Manuscript
Journal Name:
Journal of the Electrochemical Society
Additional Journal Information:
Journal Volume: 163; Journal Issue: 3; Journal ID: ISSN 0013-4651
The Electrochemical Society
Research Org:
Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY Phase-field model; Magnesium batteries; Electrodeposition; Crystal growth