Nonlinear phase field model for electrodeposition in electrochemical systems

Journal Article · Mon Dec 29 00:00:00 EST 2014 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.4905341· OSTI ID:22395629

Liang, Linyun ^[1]; Chen, Long-Qing ^[1]

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1. Department of Materials Science and Engineering, The Pennsylvania State University, University Park, Pennsylvania 16802 (United States)

A nonlinear phase-field model has been developed for describing the electrodeposition process in electrochemical systems that are highly out of equilibrium. Main thermodynamic driving forces for the electrode-electrolyte interface (EEI) evolution are limited to local variations of overpotential and ion concentration. Application of the model to Li-ion batteries describes the electrode interface motion and morphology change caused by charge mass transfer in the electrolyte, an electrochemical reaction at the EEI and cation deposition on the electrode surface during the charging operation. The Li electrodeposition rate follows the classical Butler-Volmer kinetics with exponentially and linearly depending on local overpotential and cation concentration at the electrode surface, respectively. Simulation results show that the Li deposit forms a fiber-like shape and grows parallel to the electric field direction. The longer and thicker deposits are observed both for higher current density and larger rate constant where the surface reaction rate is expected to be high. The proposed diffuse interface model well captures the metal electrodeposition phenomena in plenty of non-equilibrium electrochemical systems.

• OSTI ID: 22395629
• Journal Information: Applied Physics Letters, Vol. 105, Issue 26; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
CATIONS
CONCENTRATION RATIO
CURRENT DENSITY
ELECTRIC FIELDS
ELECTROCHEMISTRY
ELECTRODEPOSITION
ELECTRODES
ELECTROLYTES
EQUILIBRIUM
INTERFACES
LITHIUM IONS
MASS TRANSFER
METALS
MORPHOLOGY
NONLINEAR PROBLEMS
REACTION KINETICS
SURFACES