Computational Examination of Orientation-Dependent Morphological Evolution during the Electrodeposition and Electrodissolution of Magnesium
Abstract
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.
- Authors:
-
- 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
- Publication Date:
- Research Org.:
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1285959
- Report Number(s):
- SAND2016-7290J
Journal ID: ISSN 0013-4651; 646213
- Grant/Contract Number:
- AC04-94AL85000; AC02-05CH11231
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of the Electrochemical Society
- Additional Journal Information:
- Journal Volume: 163; Journal Issue: 3; Journal ID: ISSN 0013-4651
- Publisher:
- The Electrochemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Phase-field model; Magnesium batteries; Electrodeposition; Crystal growth
Citation Formats
DeWitt, S., Hahn, N., Zavadil, K., and Thornton, K. Computational Examination of Orientation-Dependent Morphological Evolution during the Electrodeposition and Electrodissolution of Magnesium. United States: N. p., 2015.
Web. doi:10.1149/2.0781603jes.
DeWitt, S., Hahn, N., Zavadil, K., & Thornton, K. Computational Examination of Orientation-Dependent Morphological Evolution during the Electrodeposition and Electrodissolution of Magnesium. United States. https://doi.org/10.1149/2.0781603jes
DeWitt, S., Hahn, N., Zavadil, K., and Thornton, K. Wed .
"Computational Examination of Orientation-Dependent Morphological Evolution during the Electrodeposition and Electrodissolution of Magnesium". United States. https://doi.org/10.1149/2.0781603jes. https://www.osti.gov/servlets/purl/1285959.
@article{osti_1285959,
title = {Computational Examination of Orientation-Dependent Morphological Evolution during the Electrodeposition and Electrodissolution of Magnesium},
author = {DeWitt, S. and Hahn, N. and Zavadil, K. and Thornton, K.},
abstractNote = {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.},
doi = {10.1149/2.0781603jes},
journal = {Journal of the Electrochemical Society},
number = 3,
volume = 163,
place = {United States},
year = {Wed Dec 30 00:00:00 EST 2015},
month = {Wed Dec 30 00:00:00 EST 2015}
}
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Works referencing / citing this record:
Mapping mechanisms and growth regimes of magnesium electrodeposition at high current densities
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Size Dependence of Transport Non-Uniformities on Localized Plating in Lithium-Ion Batteries
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